#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1by5 s GLU 19 N 0.00 4.22 -0.00 3.69 2.12 -1.26 -5.02 118.70 122.45 1by5 s GLU 19 Ca 0.00 2.40 0.00 0.00 0.36 0.00 0.00 54.97 57.73 1by5 s GLU 19 Cb 0.00 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 1by5 s GLU 19 CO 0.00 -0.45 0.06 0.45 -0.54 0.00 0.00 175.26 174.79 1by5 s SER 20 N 0.13 5.55 0.28 -1.70 0.15 -1.26 -4.88 113.70 111.97 1by5 s SER 20 Ca 0.57 0.11 0.23 0.00 0.70 0.00 0.00 55.95 57.56 1by5 s SER 20 Cb -0.44 -1.56 1.05 0.00 -1.71 0.00 0.00 66.02 63.36 1by5 s SER 20 CO 0.50 0.27 1.70 0.00 1.20 0.00 0.00 173.24 176.91 1by5 n ALA 21 N 1.23 1.45 -0.09 5.45 0.00 -1.26 -1.93 120.51 125.36 1by5 n ALA 21 Ca -0.13 0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1by5 n ALA 21 Cb 0.53 -1.36 0.11 0.00 0.00 0.00 0.00 19.45 18.72 1by5 n ALA 21 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1by5 n TRP 22 N -2.25 0.32 -3.90 0.00 8.01 -1.26 -4.55 117.44 113.81 1by5 n TRP 22 Ca 0.01 -0.45 0.00 0.00 -1.31 0.00 0.00 57.50 55.75 1by5 n TRP 22 Cb 0.16 -0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.43 1by5 n TRP 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1by5 n GLY 23 N 0.31 4.52 3.79 6.99 0.00 -0.81 -4.89 105.19 115.09 1by5 n GLY 23 Ca 0.09 -2.14 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 1by5 n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1by5 s PRO 24 N -1.70 3.85 -0.16 1.61 0.04 -1.26 -4.79 135.00 132.59 1by5 s PRO 24 Ca 0.00 1.45 -0.10 0.00 0.04 0.00 0.00 61.00 62.39 1by5 s PRO 24 Cb 0.00 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1by5 s PRO 24 CO 0.00 -0.40 0.17 0.00 0.04 0.00 0.00 177.00 176.81 1by5 s ALA 25 N -1.85 3.73 0.50 8.56 0.00 -1.26 -4.52 121.76 126.92 1by5 s ALA 25 Ca 0.65 -0.62 0.25 0.00 0.00 0.00 0.00 51.96 52.24 1by5 s ALA 25 Cb -0.19 -2.16 1.33 0.00 0.00 0.00 0.00 23.12 22.10 1by5 s ALA 25 CO 0.23 0.29 1.92 0.00 0.00 0.00 0.00 175.76 178.20 1by5 h ALA 26 N 6.14 2.53 -4.13 0.00 0.00 -1.96 -3.45 119.26 118.39 1by5 h ALA 26 Ca -0.45 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.14 1by5 h ALA 26 Cb 1.18 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1by5 h ALA 26 CO 0.71 -0.75 -0.25 0.25 0.00 0.00 0.00 179.25 179.20 1by5 n THR 27 N -4.37 0.00 0.31 0.00 -2.24 -1.26 -5.01 114.28 101.70 1by5 n THR 27 Ca 0.15 -1.66 0.20 0.00 -2.27 0.00 0.00 64.05 60.47 1by5 n THR 27 Cb 0.75 0.90 1.05 0.00 -2.10 0.00 0.00 70.33 70.93 1by5 n THR 27 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1by5 h ILE 28 N 1.81 0.15 -3.60 2.28 5.03 -1.94 -3.37 117.51 117.87 1by5 h ILE 28 Ca -0.19 0.00 -0.71 0.00 -0.12 0.00 0.00 64.86 63.84 1by5 h ILE 28 Cb 0.92 0.91 -0.25 0.00 -3.03 0.00 0.00 36.82 35.37 1by5 h ILE 28 CO 0.27 0.00 -0.53 0.00 -0.68 0.00 0.00 178.15 177.21 1by5 s ALA 29 N -4.28 3.23 0.34 1.87 0.00 -1.26 -4.71 121.76 116.94 1by5 s ALA 29 Ca -0.05 -1.73 -0.18 0.00 0.00 0.00 0.00 51.96 50.01 1by5 s ALA 29 Cb 0.13 -2.53 -0.09 0.00 0.00 0.00 0.00 23.12 20.62 1by5 s ALA 29 CO 0.43 -1.38 0.80 0.00 0.00 0.00 0.00 175.76 175.60 1by5 s ALA 30 N 1.52 3.26 0.00 0.00 0.00 -1.26 -4.85 121.76 120.43 1by5 s ALA 30 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1by5 s ALA 30 Cb -0.19 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1by5 s ALA 30 CO 0.06 0.27 0.00 2.89 0.00 0.00 0.00 175.76 178.98 1by5 n ARG 31 N -0.24 3.37 -4.34 0.00 1.85 -1.26 -4.94 116.66 111.10 1by5 n ARG 31 Ca 0.04 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.58 1by5 n ARG 31 Cb 0.53 -0.70 -0.10 0.00 -1.05 0.00 0.00 32.46 31.14 1by5 n ARG 31 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1by5 s GLN 32 N -1.34 2.36 -0.15 2.89 -1.52 -1.26 -0.24 119.66 120.40 1by5 s GLN 32 Ca 0.00 -0.87 -0.29 0.00 -1.95 0.00 0.00 55.36 52.25 1by5 s GLN 32 Cb 0.00 -2.41 0.09 0.00 -0.22 0.00 0.00 33.01 30.47 1by5 s GLN 32 CO 0.00 0.55 0.82 0.45 -0.25 0.00 0.00 175.29 176.86 1by5 s SER 33 N -1.85 -0.57 0.00 5.90 0.15 -0.81 -4.68 113.70 111.84 1by5 s SER 33 Ca 0.20 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1by5 s SER 33 Cb -0.11 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1by5 s SER 33 CO 0.11 -0.41 0.68 0.00 1.20 0.00 0.00 173.24 174.82 1by5 n ALA 34 N 1.37 2.15 -0.11 5.45 0.00 -1.26 -1.92 120.51 126.19 1by5 n ALA 34 Ca -0.15 -0.68 -0.13 0.00 0.00 0.00 0.00 53.44 52.48 1by5 n ALA 34 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 1by5 n ALA 34 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1by5 h THR 35 N 0.14 1.29 0.00 0.00 2.02 -1.94 0.28 112.91 114.69 1by5 h THR 35 Ca 0.00 -1.49 -0.07 0.00 0.77 0.00 0.00 66.41 65.62 1by5 h THR 35 Cb 0.25 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1by5 h THR 35 CO 0.00 0.49 -0.32 1.23 0.37 0.00 0.00 175.52 177.29 1by5 h GLY 36 N 0.61 0.00 0.00 2.16 0.00 -1.93 -3.38 103.07 100.53 1by5 h GLY 36 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1by5 h GLY 36 CO 0.08 0.00 -0.24 -1.30 0.00 0.00 0.00 176.54 175.08 1by5 n THR 37 N -3.32 0.00 -1.50 4.70 -2.24 -1.23 -5.01 114.28 105.68 1by5 n THR 37 Ca 0.01 -0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 1by5 n THR 37 Cb 0.55 0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 69.42 1by5 n THR 37 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1by5 n LYS 38 N -0.66 -0.77 -3.98 -0.78 5.02 0.97 -5.00 118.16 112.96 1by5 n LYS 38 Ca 0.00 0.80 -0.09 0.00 -2.02 0.00 0.00 58.31 57.00 1by5 n LYS 38 Cb 0.00 -4.79 -0.11 0.00 -0.02 0.00 0.00 35.03 30.10 1by5 n LYS 38 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1by5 s THR 39 N -2.43 0.12 -0.80 -0.18 -4.23 -1.26 -5.05 115.64 101.81 1by5 s THR 39 Ca 0.00 -0.85 -0.25 0.00 -1.18 0.00 0.00 61.69 59.40 1by5 s THR 39 Cb 0.00 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.55 1by5 s THR 39 CO 0.00 -0.46 1.91 -0.62 -0.54 0.00 0.00 174.62 174.91 1by5 s ASP 40 N -1.37 5.20 -0.06 3.99 -1.08 -1.26 -4.10 116.67 117.99 1by5 s ASP 40 Ca -0.15 -0.32 0.04 0.00 -0.52 0.00 0.00 52.55 51.60 1by5 s ASP 40 Cb -0.09 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.80 1by5 s ASP 40 CO -0.01 -2.60 -0.17 -0.89 0.52 0.00 0.00 175.17 172.02 1by5 s THR 41 N 9.68 2.77 0.35 1.71 2.01 -0.81 -4.92 115.64 126.43 1by5 s THR 41 Ca 0.69 -0.81 -0.28 0.00 0.31 0.00 0.00 61.69 61.59 1by5 s THR 41 Cb -0.09 -2.08 -0.11 0.00 0.01 0.00 0.00 72.50 70.24 1by5 s THR 41 CO 0.07 0.57 1.37 -2.84 -0.69 0.00 0.00 174.62 173.11 1by5 s PRO 42 N -0.40 4.25 0.53 4.92 0.02 -1.26 -1.93 135.00 141.14 1by5 s PRO 42 Ca 0.04 2.35 0.30 0.00 0.02 0.00 0.00 61.00 63.71 1by5 s PRO 42 Cb -0.12 -3.03 1.45 0.00 0.02 0.00 0.00 34.50 32.82 1by5 s PRO 42 CO 0.02 -0.32 1.90 0.82 -0.33 0.00 0.00 177.00 179.08 1by5 h ILE 43 N 3.00 0.58 0.00 2.83 2.04 -0.95 0.12 117.51 125.13 1by5 h ILE 43 Ca -0.50 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 1by5 h ILE 43 Cb 1.23 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1by5 h ILE 43 CO 0.65 0.01 -0.17 1.56 0.00 0.00 0.00 178.15 180.19 1by5 h GLN 44 N 0.03 0.00 -0.60 2.37 7.50 -1.89 -2.80 115.11 119.72 1by5 h GLN 44 Ca 0.41 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.56 1by5 h GLN 44 Cb 1.61 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.14 1by5 h GLN 44 CO -0.02 0.17 0.00 1.63 -1.50 0.00 0.00 178.83 179.12 1by5 n LYS 45 N -3.47 2.80 -3.78 1.46 5.02 0.03 -4.83 118.16 115.39 1by5 n LYS 45 Ca -0.01 -2.06 -0.36 0.00 -2.02 0.00 0.00 58.31 53.86 1by5 n LYS 45 Cb 0.34 -1.64 -0.12 0.00 -0.02 0.00 0.00 35.03 33.59 1by5 n LYS 45 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1by5 s VAL 46 N -1.63 4.50 -0.02 -0.18 1.01 -1.06 -4.97 120.40 118.06 1by5 s VAL 46 Ca 0.37 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 1by5 s VAL 46 Cb 0.23 -3.10 -0.13 0.00 0.00 0.00 0.00 36.38 33.38 1by5 s VAL 46 CO 0.20 0.34 2.85 -0.81 0.00 0.00 0.00 175.10 177.68 1by5 n PRO 47 N 4.74 1.57 -3.60 2.72 -0.04 -1.26 -4.81 135.00 134.32 1by5 n PRO 47 Ca -0.16 -0.61 -0.08 0.00 -0.04 0.00 0.00 63.50 62.60 1by5 n PRO 47 Cb 0.52 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1by5 n PRO 47 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1by5 s GLN 48 N 0.41 1.25 -0.21 0.54 -0.21 -1.26 -4.62 119.66 115.57 1by5 s GLN 48 Ca 0.36 -0.57 -0.27 0.00 0.02 0.00 0.00 55.36 54.90 1by5 s GLN 48 Cb 0.18 0.51 -0.00 0.00 1.00 0.00 0.00 33.01 34.69 1by5 s GLN 48 CO -0.01 -0.56 0.93 -1.12 -2.12 0.00 0.00 175.29 172.41 1by5 s SER 49 N -2.75 7.00 -0.06 5.90 0.01 -1.26 -5.02 113.70 117.51 1by5 s SER 49 Ca 0.06 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1by5 s SER 49 Cb -0.02 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1by5 s SER 49 CO -0.05 -0.55 -0.04 -0.63 0.41 0.00 0.00 173.24 172.39 1by5 s ILE 50 N 2.76 0.59 -0.03 1.44 1.01 -1.26 -1.46 121.20 124.25 1by5 s ILE 50 Ca 0.40 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.98 1by5 s ILE 50 Cb -0.16 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 1by5 s ILE 50 CO 0.09 0.26 -0.07 -0.44 0.00 0.00 0.00 174.94 174.78 1by5 s SER 51 N 1.28 4.60 -0.16 3.58 0.01 0.25 -4.95 113.70 118.32 1by5 s SER 51 Ca -0.05 -0.10 -0.00 0.00 1.31 0.00 0.00 55.95 57.11 1by5 s SER 51 Cb -0.14 -1.10 0.03 0.00 0.21 0.00 0.00 66.02 65.03 1by5 s SER 51 CO -0.02 0.32 -0.08 -0.69 0.41 0.00 0.00 173.24 173.17 1by5 s VAL 52 N -0.91 1.27 -0.28 3.43 1.01 -1.26 -0.33 120.40 123.33 1by5 s VAL 52 Ca 0.15 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1by5 s VAL 52 Cb -0.11 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1by5 s VAL 52 CO 0.05 0.25 0.21 -0.69 0.00 0.00 0.00 175.10 174.91 1by5 s VAL 53 N 1.58 5.30 0.43 2.92 1.01 0.21 -4.79 120.40 127.06 1by5 s VAL 53 Ca 0.02 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 1by5 s VAL 53 Cb -0.14 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1by5 s VAL 53 CO -0.08 0.24 0.74 0.42 0.00 0.00 0.00 175.10 176.42 1by5 s THR 54 N 1.78 4.89 0.34 3.92 -4.23 -1.26 -1.55 115.64 119.53 1by5 s THR 54 Ca 0.08 0.28 0.05 0.00 -1.18 0.00 0.00 61.69 60.92 1by5 s THR 54 Cb -0.16 -3.81 0.30 0.00 1.34 0.00 0.00 72.50 70.17 1by5 s THR 54 CO 0.11 -0.67 1.91 0.00 -0.54 0.00 0.00 174.62 175.43 1by5 h ALA 55 N 0.74 1.67 -0.47 3.99 0.00 -1.65 -1.18 119.26 122.37 1by5 h ALA 55 Ca -0.47 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.46 1by5 h ALA 55 Cb 1.20 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1by5 h ALA 55 CO 0.63 0.16 0.26 1.49 0.00 0.00 0.00 179.25 181.79 1by5 h GLU 56 N 0.83 0.51 -0.45 0.00 4.81 -1.93 0.28 114.58 118.62 1by5 h GLU 56 Ca 0.39 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.51 1by5 h GLU 56 Cb 0.40 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1by5 h GLU 56 CO -0.16 0.34 -0.00 1.49 -0.73 0.00 0.00 179.01 179.95 1by5 h GLU 57 N 0.52 0.80 -0.93 1.92 4.81 -1.63 -2.74 114.58 117.33 1by5 h GLU 57 Ca 0.19 -0.26 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1by5 h GLU 57 Cb 0.05 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 1by5 h GLU 57 CO -0.11 0.86 0.60 0.52 -0.73 0.00 0.00 179.01 180.15 1by5 h MET 58 N 0.64 1.11 -0.03 1.92 2.86 -0.76 0.47 114.93 121.14 1by5 h MET 58 Ca 0.13 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1by5 h MET 58 Cb 0.50 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1by5 h MET 58 CO 0.02 0.73 0.09 0.00 1.06 0.00 0.00 176.91 178.82 1by5 h ALA 59 N 1.39 1.26 -0.37 6.32 0.00 -0.65 -0.09 119.26 127.12 1by5 h ALA 59 Ca 0.38 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.15 1by5 h ALA 59 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1by5 h ALA 59 CO -0.13 -0.11 -0.31 -0.07 0.00 0.00 0.00 179.25 178.63 1by5 h LEU 60 N 0.00 0.92 0.00 0.00 4.07 -0.81 -3.34 115.31 116.15 1by5 h LEU 60 Ca 0.01 -0.45 0.00 0.00 0.08 0.00 0.00 57.88 57.52 1by5 h LEU 60 Cb 0.20 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1by5 h LEU 60 CO -0.00 1.18 -0.85 1.41 -1.08 0.00 0.00 178.44 179.09 1by5 n HIS 61 N -4.15 0.00 -3.67 1.13 8.25 -0.53 -4.92 115.22 111.34 1by5 n HIS 61 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.18 1by5 n HIS 61 Cb 0.50 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.60 1by5 n HIS 61 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1by5 n GLN 62 N -1.44 -1.21 -2.85 -0.41 1.13 -0.16 -4.94 117.38 107.50 1by5 n GLN 62 Ca 0.03 0.70 -0.33 0.00 -1.94 0.00 0.00 57.00 55.45 1by5 n GLN 62 Cb 0.27 -3.50 -0.07 0.00 0.11 0.00 0.00 30.24 27.05 1by5 n GLN 62 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1by5 s PRO 63 N -5.28 4.21 0.19 -1.09 0.04 -1.26 -4.98 135.00 126.84 1by5 s PRO 63 Ca 0.22 1.08 0.23 0.00 0.04 0.00 0.00 61.00 62.57 1by5 s PRO 63 Cb -0.09 -2.22 0.23 0.00 0.04 0.00 0.00 34.50 32.46 1by5 s PRO 63 CO 0.87 -0.00 1.27 0.87 0.04 0.00 0.00 177.00 180.05 1by5 h LYS 64 N 1.98 0.00 -4.18 4.56 1.57 -1.97 -3.45 116.57 115.08 1by5 h LYS 64 Ca -0.49 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.16 1by5 h LYS 64 Cb 1.18 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.34 1by5 h LYS 64 CO 0.62 0.00 -0.58 -1.54 -0.57 0.00 0.00 179.45 177.38 1by5 s SER 65 N -4.92 0.33 0.41 0.86 1.04 -1.26 -4.70 113.70 105.46 1by5 s SER 65 Ca 0.04 -0.99 0.18 0.00 0.48 0.00 0.00 55.95 55.67 1by5 s SER 65 Cb 0.11 0.28 0.90 0.00 0.10 0.00 0.00 66.02 67.40 1by5 s SER 65 CO 0.74 -0.69 1.86 0.58 0.98 0.00 0.00 173.24 176.71 1by5 h VAL 66 N 2.94 0.96 -0.53 5.02 2.07 -1.91 -2.57 116.25 122.22 1by5 h VAL 66 Ca -0.34 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 1by5 h VAL 66 Cb 1.18 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1by5 h VAL 66 CO 0.60 0.30 0.33 0.50 0.02 0.00 0.00 177.57 179.32 1by5 h LYS 67 N 0.00 0.72 -0.23 1.57 3.64 -1.94 -2.26 116.57 118.07 1by5 h LYS 67 Ca -0.00 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1by5 h LYS 67 Cb 0.65 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1by5 h LYS 67 CO 0.04 0.51 -0.25 0.93 -2.27 0.00 0.00 179.45 178.41 1by5 h GLU 68 N 0.72 0.44 0.00 1.90 5.08 -1.82 -2.47 114.58 118.43 1by5 h GLU 68 Ca 0.19 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1by5 h GLU 68 Cb -0.03 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1by5 h GLU 68 CO -0.04 0.66 -0.03 0.00 -1.00 0.00 0.00 179.01 178.60 1by5 h ALA 69 N 1.34 1.07 -0.04 3.43 0.00 -1.19 -2.13 119.26 121.75 1by5 h ALA 69 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1by5 h ALA 69 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1by5 h ALA 69 CO 0.05 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1by5 n LEU 70 N -3.23 1.38 -0.21 0.00 4.77 -0.93 -4.42 117.00 114.36 1by5 n LEU 70 Ca -0.01 -0.48 0.31 0.00 -0.03 0.00 0.00 56.01 55.79 1by5 n LEU 70 Cb 0.20 -0.02 0.65 0.00 -2.33 0.00 0.00 43.42 41.92 1by5 n LEU 70 CO 0.25 0.24 1.28 0.28 -1.33 0.00 0.00 177.39 178.11 1by5 h SER 71 N 2.10 0.00 -0.07 -1.43 0.02 -1.45 0.18 113.55 112.89 1by5 h SER 71 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1by5 h SER 71 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1by5 h SER 71 CO 0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 1by5 n TYR 72 N -3.66 0.07 -2.92 3.45 4.02 -1.26 -4.98 117.16 111.87 1by5 n TYR 72 Ca 0.22 -0.04 -0.40 0.00 -0.01 0.00 0.00 57.90 57.66 1by5 n TYR 72 Cb 1.26 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.54 1by5 n TYR 72 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1by5 s THR 73 N -1.47 4.92 0.56 -0.72 2.01 0.62 -4.60 115.64 116.96 1by5 s THR 73 Ca 0.23 1.68 -0.20 0.00 0.31 0.00 0.00 61.69 63.71 1by5 s THR 73 Cb 0.16 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1by5 s THR 73 CO 0.23 0.25 1.21 -2.16 -0.69 0.00 0.00 174.62 173.46 1by5 s PRO 74 N 0.67 3.14 -0.70 4.92 0.04 -1.26 -3.41 135.00 138.40 1by5 s PRO 74 Ca 0.42 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1by5 s PRO 74 Cb -0.19 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1by5 s PRO 74 CO 0.22 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.60 1by5 n GLY 75 N 0.48 0.76 3.03 0.56 0.00 -1.26 -4.98 105.19 103.79 1by5 n GLY 75 Ca 0.12 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 1by5 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1by5 s VAL 76 N -1.86 1.28 -0.27 1.61 1.01 -1.22 -0.73 120.40 120.23 1by5 s VAL 76 Ca 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 1by5 s VAL 76 Cb 0.00 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 1by5 s VAL 76 CO 0.00 0.39 0.16 -0.55 0.00 0.00 0.00 175.10 175.10 1by5 s SER 77 N 0.83 5.85 -0.23 3.32 0.15 -0.01 -4.88 113.70 118.73 1by5 s SER 77 Ca -0.11 -0.03 0.14 0.00 0.70 0.00 0.00 55.95 56.65 1by5 s SER 77 Cb -0.15 -2.08 0.68 0.00 -1.71 0.00 0.00 66.02 62.76 1by5 s SER 77 CO 0.01 -0.03 1.61 1.33 1.20 0.00 0.00 173.24 177.37 1by5 n VAL 78 N 4.91 2.59 -1.33 4.45 0.24 -1.26 -3.45 118.33 124.48 1by5 n VAL 78 Ca -0.15 -1.70 0.07 0.00 -2.04 0.00 0.00 64.34 60.52 1by5 n VAL 78 Cb 0.52 -0.28 0.18 0.00 -1.47 0.00 0.00 33.84 32.79 1by5 n VAL 78 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1by5 n GLY 79 N -0.04 4.94 0.00 7.63 0.00 -1.26 -4.72 105.19 111.74 1by5 n GLY 79 Ca 0.27 -1.21 0.07 0.00 0.00 0.00 0.00 46.02 45.15 1by5 n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1by5 n THR 80 N -1.20 0.52 -1.25 2.61 -2.24 -1.26 -2.86 114.28 108.59 1by5 n THR 80 Ca 0.20 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 1by5 n THR 80 Cb 0.72 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1by5 n THR 80 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1by5 n ARG 81 N -1.25 0.00 0.00 -0.78 5.12 -1.26 -4.96 116.66 113.53 1by5 n ARG 81 Ca 0.07 -0.47 0.00 0.00 -1.93 0.00 0.00 57.85 55.52 1by5 n ARG 81 Cb 0.11 -0.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.98 1by5 n ARG 81 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1by5 n GLY 82 N 0.00 3.20 0.33 -0.13 0.00 -1.13 -2.41 105.19 105.05 1by5 n GLY 82 Ca 0.00 -0.27 0.22 0.00 0.00 0.00 0.00 46.02 45.97 1by5 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1by5 h ALA 83 N -0.99 1.01 -2.64 4.61 0.00 -1.68 -3.45 119.26 116.12 1by5 h ALA 83 Ca 0.00 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1by5 h ALA 83 Cb 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.83 1by5 h ALA 83 CO 0.00 0.00 0.72 0.45 0.00 0.00 0.00 179.25 180.42 1by5 s SER 84 N -5.24 6.79 -0.22 0.00 0.15 -1.01 -4.93 113.70 109.24 1by5 s SER 84 Ca -0.04 2.45 0.13 0.00 0.70 0.00 0.00 55.95 59.19 1by5 s SER 84 Cb 0.12 -2.60 0.44 0.00 -1.71 0.00 0.00 66.02 62.28 1by5 s SER 84 CO 0.43 -0.64 1.33 0.59 1.20 0.00 0.00 173.24 176.16 1by5 n ASN 85 N 3.15 2.54 -0.12 5.45 4.13 -1.26 -4.76 115.26 124.39 1by5 n ASN 85 Ca 0.09 -3.51 -0.05 0.00 1.68 0.00 0.00 54.58 52.78 1by5 n ASN 85 Cb 0.42 -0.55 0.03 0.00 -1.54 0.00 0.00 39.78 38.13 1by5 n ASN 85 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1by5 h THR 86 N 0.94 0.86 -3.83 3.41 2.02 -1.84 -3.43 112.91 111.05 1by5 h THR 86 Ca 0.08 -0.09 -0.49 0.00 0.77 0.00 0.00 66.41 66.68 1by5 h THR 86 Cb 1.32 0.57 -0.21 0.00 -1.74 0.00 0.00 68.15 68.09 1by5 h THR 86 CO 0.18 0.05 -0.80 -0.31 0.37 0.00 0.00 175.52 175.01 1by5 s TYR 87 N -6.16 1.57 -1.05 3.16 2.02 -1.26 -4.97 117.35 110.66 1by5 s TYR 87 Ca -0.13 -0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 56.07 1by5 s TYR 87 Cb 0.13 -0.85 0.13 0.00 -0.40 0.00 0.00 41.96 40.96 1by5 s TYR 87 CO 0.71 0.17 2.42 -0.25 -1.57 0.00 0.00 175.55 177.03 1by5 n ASP 88 N 1.00 7.56 -4.72 2.29 8.00 -1.26 -4.96 116.55 124.46 1by5 n ASP 88 Ca -0.19 -3.23 -0.42 0.00 0.71 0.00 0.00 54.79 51.66 1by5 n ASP 88 Cb 0.54 -1.30 -0.03 0.00 -0.02 0.00 0.00 41.12 40.31 1by5 n ASP 88 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1by5 s HIS 89 N -1.70 3.63 0.15 1.24 5.65 -1.26 -4.80 115.29 118.19 1by5 s HIS 89 Ca 0.54 1.61 0.05 0.00 0.25 0.00 0.00 55.06 57.51 1by5 s HIS 89 Cb 0.25 -3.20 -0.04 0.00 -1.18 0.00 0.00 32.58 28.40 1by5 s HIS 89 CO -0.14 -0.36 -0.12 -0.51 -0.65 0.00 0.00 174.74 172.96 1by5 s LEU 90 N 0.61 2.51 -0.15 8.88 1.43 -1.26 -4.75 118.68 125.95 1by5 s LEU 90 Ca 0.52 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1by5 s LEU 90 Cb -0.25 -0.45 0.02 0.00 0.03 0.00 0.00 46.19 45.54 1by5 s LEU 90 CO 0.30 -0.26 -0.16 -0.63 0.23 0.00 0.00 176.35 175.83 1by5 s ILE 91 N -2.97 1.71 -0.20 -0.59 1.01 -1.22 -4.63 121.20 114.31 1by5 s ILE 91 Ca 0.16 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 1by5 s ILE 91 Cb 0.00 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.92 1by5 s ILE 91 CO 0.02 0.48 -0.15 -0.63 0.00 0.00 0.00 174.94 174.67 1by5 s ILE 92 N 1.32 2.44 -1.33 2.92 1.01 -0.47 -0.83 121.20 126.26 1by5 s ILE 92 Ca 0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 1by5 s ILE 92 Cb -0.13 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.25 1by5 s ILE 92 CO -0.09 0.45 0.68 0.54 0.00 0.00 0.00 174.94 176.51 1by5 n ARG 93 N 4.65 -4.73 -0.86 2.79 1.74 0.09 -2.09 116.66 118.25 1by5 n ARG 93 Ca -0.20 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 1by5 n ARG 93 Cb 0.49 -5.11 0.00 0.00 -1.02 0.00 0.00 32.46 26.82 1by5 n ARG 93 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1by5 n GLY 94 N -1.63 0.61 3.37 -0.13 0.00 -1.26 -4.84 105.19 101.30 1by5 n GLY 94 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 1by5 n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1by5 s PHE 95 N -2.78 2.06 0.09 1.61 0.40 -0.89 -4.98 117.98 113.49 1by5 s PHE 95 Ca 0.00 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1by5 s PHE 95 Cb 0.00 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.47 1by5 s PHE 95 CO 0.00 0.39 0.12 0.00 0.70 0.00 0.00 175.22 176.43 1by5 s ALA 96 N -1.71 0.17 0.72 5.36 0.00 -1.26 -1.36 121.76 123.67 1by5 s ALA 96 Ca 0.17 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 1by5 s ALA 96 Cb -0.07 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.59 1by5 s ALA 96 CO 0.08 -0.48 1.14 0.00 0.00 0.00 0.00 175.76 176.49 1by5 s ALA 97 N -3.92 2.26 0.53 0.00 0.00 -1.26 -4.91 121.76 114.47 1by5 s ALA 97 Ca 0.10 0.60 -0.20 0.00 0.00 0.00 0.00 51.96 52.45 1by5 s ALA 97 Cb 0.06 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 1by5 s ALA 97 CO -0.08 -1.63 1.14 -2.00 0.00 0.00 0.00 175.76 173.20 1by5 s GLU 98 N -4.21 3.43 -0.02 0.00 2.12 -1.26 -3.65 118.70 115.11 1by5 s GLU 98 Ca 0.68 1.67 0.00 0.00 0.36 0.00 0.00 54.97 57.68 1by5 s GLU 98 Cb -0.22 -2.10 0.00 0.00 0.26 0.00 0.00 34.13 32.06 1by5 s GLU 98 CO 0.46 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 1by5 n GLY 99 N 0.25 0.47 2.58 -1.50 0.00 -1.26 -3.80 105.19 101.94 1by5 n GLY 99 Ca 0.11 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1by5 n GLY 99 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1by5 n GLN 100 N -2.72 -3.87 -4.04 1.61 -0.06 -1.24 -4.93 117.38 102.14 1by5 n GLN 100 Ca -0.00 0.47 -0.27 0.00 -2.00 0.00 0.00 57.00 55.20 1by5 n GLN 100 Cb 0.04 -4.40 -0.05 0.00 -4.06 0.00 0.00 30.24 21.77 1by5 n GLN 100 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 1by5 s SER 101 N -3.07 5.75 0.91 1.69 0.01 -1.25 -5.05 113.70 112.69 1by5 s SER 101 Ca 0.27 -0.02 -0.12 0.00 1.31 0.00 0.00 55.95 57.39 1by5 s SER 101 Cb -0.12 -1.58 0.13 0.00 0.21 0.00 0.00 66.02 64.66 1by5 s SER 101 CO 0.34 0.08 1.12 -1.10 0.41 0.00 0.00 173.24 174.09 1by5 s GLN 102 N -3.01 1.18 -0.39 12.44 -0.21 -1.26 -4.14 119.66 124.28 1by5 s GLN 102 Ca 0.32 0.43 0.10 0.00 0.02 0.00 0.00 55.36 56.23 1by5 s GLN 102 Cb -0.11 -1.83 0.31 0.00 1.00 0.00 0.00 33.01 32.38 1by5 s GLN 102 CO 0.25 -2.20 0.68 -1.71 -2.12 0.00 0.00 175.29 170.18 1by5 n ASN 103 N -3.79 0.29 -4.65 5.90 5.15 -1.26 -4.87 115.26 112.02 1by5 n ASN 103 Ca 0.06 -2.93 -0.30 0.00 -0.60 0.00 0.00 54.58 50.81 1by5 n ASN 103 Cb 0.58 -0.41 -0.09 0.00 -0.53 0.00 0.00 39.78 39.33 1by5 n ASN 103 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1by5 s ASN 104 N -1.87 4.83 0.14 1.20 -0.87 -1.26 -2.70 114.94 114.42 1by5 s ASN 104 Ca 0.37 -0.24 0.07 0.00 -1.57 0.00 0.00 52.86 51.49 1by5 s ASN 104 Cb 0.27 -1.09 -0.04 0.00 -0.02 0.00 0.00 41.25 40.38 1by5 s ASN 104 CO -0.10 0.18 -0.16 -0.31 -2.57 0.00 0.00 177.10 174.14 1by5 s TYR 105 N -1.28 1.58 -0.07 2.20 1.51 0.30 -2.03 117.35 119.55 1by5 s TYR 105 Ca 0.24 -0.53 -0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1by5 s TYR 105 Cb -0.11 -0.80 0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1by5 s TYR 105 CO 0.17 0.22 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.63 1by5 s LEU 106 N -2.61 0.95 -1.44 -1.29 2.96 0.58 -0.16 118.68 117.67 1by5 s LEU 106 Ca 0.13 -0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 53.77 1by5 s LEU 106 Cb -0.05 -0.55 0.07 0.00 0.50 0.00 0.00 46.19 46.16 1by5 s LEU 106 CO 0.04 -0.13 0.71 0.59 -1.32 0.00 0.00 176.35 176.24 1by5 n ASN 107 N 4.78 -4.53 0.00 3.68 5.03 0.11 -1.58 115.26 122.75 1by5 n ASN 107 Ca -0.13 -0.55 0.00 0.00 0.87 0.00 0.00 54.58 54.77 1by5 n ASN 107 Cb 0.50 -3.67 0.00 0.00 -1.02 0.00 0.00 39.78 35.59 1by5 n ASN 107 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1by5 n GLY 108 N -1.44 0.92 3.28 7.41 0.00 -1.26 -5.02 105.19 109.09 1by5 n GLY 108 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1by5 n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1by5 s LEU 109 N 0.00 2.05 0.22 0.99 1.43 -0.62 -5.05 118.68 117.70 1by5 s LEU 109 Ca 0.00 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 1by5 s LEU 109 Cb 0.00 -1.28 -0.09 0.00 0.03 0.00 0.00 46.19 44.86 1by5 s LEU 109 CO 0.00 0.29 1.05 -0.75 0.23 0.00 0.00 176.35 177.17 1by5 s LYS 110 N -0.51 4.68 -1.24 1.70 2.20 -1.26 -0.31 119.74 125.00 1by5 s LYS 110 Ca 0.07 1.68 -0.12 0.00 -0.36 0.00 0.00 55.97 57.24 1by5 s LYS 110 Cb -0.10 -3.25 0.17 0.00 -1.51 0.00 0.00 37.83 33.14 1by5 s LYS 110 CO -0.00 0.24 1.63 1.28 -0.36 0.00 0.00 175.35 178.14 1by5 n LEU 111 N 1.76 5.86 -4.63 5.43 4.77 -0.86 -4.91 117.00 124.42 1by5 n LEU 111 Ca 0.00 -4.56 -0.43 0.00 -0.03 0.00 0.00 56.01 51.00 1by5 n LEU 111 Cb 0.46 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 39.97 1by5 n LEU 111 CO 0.53 1.03 1.61 -1.58 -1.33 0.00 0.00 177.39 177.65 1by5 s GLN 112 N 0.97 3.65 0.53 3.23 2.00 -1.26 -4.76 119.66 124.02 1by5 s GLN 112 Ca 0.41 2.07 0.06 0.00 -2.00 0.00 0.00 55.36 55.90 1by5 s GLN 112 Cb 0.03 -4.20 0.06 0.00 0.80 0.00 0.00 33.01 29.69 1by5 s GLN 112 CO 0.00 -1.50 0.46 0.41 -0.50 0.00 0.00 175.29 174.17 1by5 n GLY 113 N 5.03 2.62 3.63 2.59 0.00 -1.26 -4.92 105.19 112.88 1by5 n GLY 113 Ca 0.23 -2.28 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 1by5 n GLY 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1by5 s ASN 114 N -4.14 -0.72 0.99 1.61 3.84 0.11 -4.99 114.94 111.64 1by5 s ASN 114 Ca 0.35 1.38 0.00 0.00 0.21 0.00 0.00 52.86 54.79 1by5 s ASN 114 Cb -0.03 1.39 0.00 0.00 -0.55 0.00 0.00 41.25 42.06 1by5 s ASN 114 CO 0.22 -0.26 0.00 0.33 -2.79 0.00 0.00 177.10 174.61 1by5 n PHE 115 N 2.59 0.00 0.69 0.43 7.35 -1.26 0.32 117.46 127.58 1by5 n PHE 115 Ca -0.14 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.65 1by5 n PHE 115 Cb 0.55 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 40.25 1by5 n PHE 115 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1by5 n TYR 116 N 0.00 0.00 -2.62 -5.13 4.01 -1.26 -4.79 117.16 107.37 1by5 n TYR 116 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1by5 n TYR 116 Cb 0.00 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 38.86 1by5 n TYR 116 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1by5 s ASN 117 N -3.42 6.60 -0.10 7.72 3.84 0.15 -4.92 114.94 124.81 1by5 s ASN 117 Ca 0.03 -1.75 0.00 0.00 0.21 0.00 0.00 52.86 51.35 1by5 s ASN 117 Cb 0.15 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.33 1by5 s ASN 117 CO 0.87 -1.37 -0.09 -1.81 -2.79 0.00 0.00 177.10 171.91 1by5 s ASP 118 N 4.62 2.03 0.64 -4.21 1.01 -1.26 -0.71 116.67 118.79 1by5 s ASP 118 Ca 0.46 -0.30 -0.13 0.00 0.71 0.00 0.00 52.55 53.29 1by5 s ASP 118 Cb 0.00 -0.83 -0.02 0.00 1.01 0.00 0.00 42.92 43.08 1by5 s ASP 118 CO -0.06 -0.07 1.05 0.00 0.21 0.00 0.00 175.17 176.30 1by5 s ALA 119 N 1.36 2.77 -0.03 5.23 0.00 -1.26 -5.02 121.76 124.81 1by5 s ALA 119 Ca -0.01 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 1by5 s ALA 119 Cb -0.14 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1by5 s ALA 119 CO -0.04 -0.94 0.07 0.08 0.00 0.00 0.00 175.76 174.92 1by5 s VAL 120 N -2.81 -0.02 -0.09 0.00 1.01 -1.26 -4.86 120.40 112.37 1by5 s VAL 120 Ca 0.60 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.66 1by5 s VAL 120 Cb -0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 1by5 s VAL 120 CO 0.46 0.03 -0.14 -0.63 0.00 0.00 0.00 175.10 174.82 1by5 s ILE 121 N 0.39 3.00 0.16 2.22 -1.09 -1.26 -5.07 121.20 119.55 1by5 s ILE 121 Ca -0.03 -0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 57.38 1by5 s ILE 121 Cb -0.04 -2.22 -0.07 0.00 -1.58 0.00 0.00 42.46 38.55 1by5 s ILE 121 CO -0.01 0.55 1.10 -0.62 -1.23 0.00 0.00 174.94 174.74 1by5 s ASP 122 N -0.11 7.25 0.55 3.58 -1.08 -1.26 -4.54 116.67 121.06 1by5 s ASP 122 Ca -0.02 2.07 0.30 0.00 -0.52 0.00 0.00 52.55 54.38 1by5 s ASP 122 Cb -0.14 -2.60 1.46 0.00 -1.46 0.00 0.00 42.92 40.19 1by5 s ASP 122 CO 0.04 -0.24 1.91 1.55 0.52 0.00 0.00 175.17 178.94 1by5 h PRO 123 N 5.29 0.00 0.00 4.34 0.13 -1.87 -0.42 132.00 139.46 1by5 h PRO 123 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1by5 h PRO 123 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1by5 h PRO 123 CO 0.73 0.00 -0.04 -0.92 -0.23 0.00 0.00 178.00 177.54 1by5 h TYR 124 N 0.00 0.00 -0.15 1.56 3.20 -1.92 -1.81 116.97 117.85 1by5 h TYR 124 Ca 0.35 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.22 1by5 h TYR 124 Cb 1.49 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.76 1by5 h TYR 124 CO 0.00 0.04 0.00 -1.33 -1.64 0.00 0.00 178.16 175.23 1by5 n MET 125 N -3.31 2.01 -4.04 1.82 0.00 -0.17 -4.94 117.12 108.49 1by5 n MET 125 Ca -0.02 -1.50 -0.33 0.00 0.00 0.00 0.00 57.70 55.85 1by5 n MET 125 Cb 0.18 -1.46 -0.06 0.00 0.00 0.00 0.00 33.22 31.88 1by5 n MET 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1by5 s LEU 126 N -1.75 4.01 -0.12 4.03 1.43 -0.68 -2.18 118.68 123.41 1by5 s LEU 126 Ca 0.34 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.65 1by5 s LEU 126 Cb 0.20 -2.41 -0.24 0.00 0.03 0.00 0.00 46.19 43.77 1by5 s LEU 126 CO 0.30 0.25 0.34 1.21 0.23 0.00 0.00 176.35 178.68 1by5 n GLU 127 N 0.99 0.70 -3.88 1.70 4.07 0.20 -4.65 120.64 119.77 1by5 n GLU 127 Ca -0.12 0.23 -0.09 0.00 -0.06 0.00 0.00 57.16 57.12 1by5 n GLU 127 Cb 0.52 -1.69 -0.06 0.00 -0.06 0.00 0.00 31.44 30.15 1by5 n GLU 127 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1by5 s ARG 128 N -2.56 1.12 -0.19 5.31 0.52 -1.02 -1.92 118.95 120.22 1by5 s ARG 128 Ca -0.17 -1.05 -0.05 0.00 -0.52 0.00 0.00 55.73 53.94 1by5 s ARG 128 Cb 0.07 0.40 0.07 0.00 0.52 0.00 0.00 34.95 36.01 1by5 s ARG 128 CO 0.77 -0.42 0.09 0.00 0.02 0.00 0.00 175.30 175.77 1by5 s ALA 129 N -3.92 0.50 -0.09 2.13 0.00 -0.59 -1.48 121.76 118.31 1by5 s ALA 129 Ca 0.12 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.61 1by5 s ALA 129 Cb 0.03 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 1by5 s ALA 129 CO -0.04 -1.26 -0.09 -1.21 0.00 0.00 0.00 175.76 173.16 1by5 s GLU 130 N 2.11 2.97 -0.16 0.00 2.02 -0.11 -0.61 118.70 124.91 1by5 s GLU 130 Ca 0.03 -0.60 -0.03 0.00 0.02 0.00 0.00 54.97 54.38 1by5 s GLU 130 Cb -0.16 -2.60 -0.03 0.00 0.10 0.00 0.00 34.13 31.44 1by5 s GLU 130 CO -0.14 0.50 -0.05 0.42 0.02 0.00 0.00 175.26 176.01 1by5 s ILE 131 N -0.38 3.78 -0.26 -1.63 -1.09 0.55 -0.93 121.20 121.24 1by5 s ILE 131 Ca 0.05 -0.39 -0.02 0.00 -2.23 0.00 0.00 60.65 58.05 1by5 s ILE 131 Cb -0.12 -2.66 0.03 0.00 -1.58 0.00 0.00 42.46 38.13 1by5 s ILE 131 CO 0.02 0.49 -0.04 -0.32 -1.23 0.00 0.00 174.94 173.86 1by5 s MET 132 N 0.43 2.79 0.10 2.79 1.75 -0.76 -0.58 119.30 125.81 1by5 s MET 132 Ca -0.04 -1.02 -0.21 0.00 -1.25 0.00 0.00 55.69 53.17 1by5 s MET 132 Cb -0.14 -3.05 -0.07 0.00 2.84 0.00 0.00 34.83 34.41 1by5 s MET 132 CO 0.03 -0.44 0.62 1.03 -0.65 0.00 0.00 175.02 175.61 1by5 s ARG 133 N 1.33 4.29 0.00 4.11 3.00 -0.53 -1.51 118.95 129.64 1by5 s ARG 133 Ca -0.01 0.84 0.00 0.00 0.00 0.00 0.00 55.73 56.57 1by5 s ARG 133 Cb -0.17 -3.24 0.00 0.00 0.00 0.00 0.00 34.95 31.53 1by5 s ARG 133 CO -0.03 0.62 0.00 0.41 0.00 0.00 0.00 175.30 176.30 1by5 n GLY 134 N 1.68 -2.78 3.67 -3.53 0.00 -0.46 -4.47 105.19 99.30 1by5 n GLY 134 Ca -0.09 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 1by5 n GLY 134 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1by5 n PRO 135 N -0.75 1.93 0.00 1.61 -0.02 -1.02 -3.61 135.00 133.13 1by5 n PRO 135 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1by5 n PRO 135 Cb 0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 1by5 n PRO 135 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1by5 n VAL 136 N 0.24 0.00 -0.12 -1.45 0.24 -1.26 -4.76 118.33 111.22 1by5 n VAL 136 Ca 0.06 0.00 0.25 0.00 -2.04 0.00 0.00 64.34 62.61 1by5 n VAL 136 Cb 0.36 1.13 0.70 0.00 -1.47 0.00 0.00 33.84 34.55 1by5 n VAL 136 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1by5 h SER 137 N 0.00 0.03 0.00 -1.34 0.02 -1.70 -0.79 113.55 109.77 1by5 h SER 137 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1by5 h SER 137 Cb 0.81 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1by5 h SER 137 CO 0.00 0.01 0.17 1.62 -1.14 0.00 0.00 176.83 177.49 1by5 h VAL 138 N 0.03 0.00 0.00 2.27 3.04 -1.86 -0.97 116.25 118.76 1by5 h VAL 138 Ca 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.06 1by5 h VAL 138 Cb 1.42 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 1by5 h VAL 138 CO -0.01 0.00 -0.70 -0.11 -1.01 0.00 0.00 177.57 175.74 1by5 n LEU 139 N -2.60 0.00 0.00 3.16 7.94 -0.36 -4.33 117.00 120.81 1by5 n LEU 139 Ca -0.02 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 1by5 n LEU 139 Cb 0.22 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.17 1by5 n LEU 139 CO 0.12 0.00 -0.04 -1.22 -1.11 0.00 0.00 177.39 175.14 1by5 n TYR 140 N -1.07 0.00 -0.89 1.96 4.01 -0.83 -5.09 117.16 115.25 1by5 n TYR 140 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1by5 n TYR 140 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1by5 n TYR 140 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1by5 n GLY 141 N 1.01 -1.83 3.59 2.72 0.00 -0.40 -4.95 105.19 105.34 1by5 n GLY 141 Ca 0.00 -1.86 -0.50 0.00 0.00 0.00 0.00 46.02 43.66 1by5 n GLY 141 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1by5 n LYS 142 N 0.00 1.24 -3.54 1.61 2.85 -1.26 -4.06 118.16 115.00 1by5 n LYS 142 Ca 0.00 0.44 -0.11 0.00 -1.05 0.00 0.00 58.31 57.59 1by5 n LYS 142 Cb 0.00 -2.02 -0.04 0.00 -0.65 0.00 0.00 35.03 32.32 1by5 n LYS 142 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1by5 s SER 143 N 0.26 -0.42 0.61 -5.58 0.15 -0.62 -4.99 113.70 103.10 1by5 s SER 143 Ca 0.78 0.32 -0.19 0.00 0.70 0.00 0.00 55.95 57.56 1by5 s SER 143 Cb -0.88 0.38 -0.02 0.00 -1.71 0.00 0.00 66.02 63.79 1by5 s SER 143 CO 0.49 -0.50 1.31 -0.55 1.20 0.00 0.00 173.24 175.20 1by5 s SER 144 N -1.60 4.82 0.28 5.45 0.15 -1.26 -4.26 113.70 117.27 1by5 s SER 144 Ca -0.01 2.67 -0.02 0.00 0.70 0.00 0.00 55.95 59.29 1by5 s SER 144 Cb -0.01 -2.62 0.39 0.00 -1.71 0.00 0.00 66.02 62.08 1by5 s SER 144 CO -0.01 -1.87 1.84 -0.65 1.20 0.00 0.00 173.24 173.76 1by5 h PRO 145 N 0.83 0.88 -0.63 5.44 0.11 -1.92 -3.15 132.00 133.57 1by5 h PRO 145 Ca -0.51 -0.16 0.15 0.00 0.11 0.00 0.00 66.00 65.59 1by5 h PRO 145 Cb 1.33 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1by5 h PRO 145 CO 0.54 0.75 0.43 0.78 -0.21 0.00 0.00 178.00 180.30 1by5 h GLY 146 N 0.99 0.32 0.00 -0.55 0.00 -1.84 -2.71 103.07 99.28 1by5 h GLY 146 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1by5 h GLY 146 CO -0.01 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1by5 n GLY 147 N -1.59 0.82 3.35 4.60 0.00 -1.19 -1.35 105.19 109.83 1by5 n GLY 147 Ca 0.12 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 1by5 n GLY 147 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1by5 s LEU 148 N 0.00 0.81 -0.09 0.99 2.34 -0.57 -4.60 118.68 117.56 1by5 s LEU 148 Ca 0.00 -0.71 0.01 0.00 0.06 0.00 0.00 54.13 53.49 1by5 s LEU 148 Cb 0.00 1.41 -0.02 0.00 -0.56 0.00 0.00 46.19 47.02 1by5 s LEU 148 CO 0.00 -0.90 -0.12 -0.22 -1.06 0.00 0.00 176.35 174.05 1by5 s LEU 149 N -2.92 2.81 -0.16 1.48 2.96 -1.10 -1.82 118.68 119.94 1by5 s LEU 149 Ca 0.12 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1by5 s LEU 149 Cb 0.03 -1.61 0.04 0.00 0.50 0.00 0.00 46.19 45.15 1by5 s LEU 149 CO -0.03 0.27 -0.03 0.21 -1.32 0.00 0.00 176.35 175.44 1by5 s ASN 150 N -0.27 2.74 0.04 3.68 2.47 -0.11 0.11 114.94 123.61 1by5 s ASN 150 Ca 0.02 -0.64 -0.10 0.00 0.42 0.00 0.00 52.86 52.56 1by5 s ASN 150 Cb -0.13 -0.82 -0.05 0.00 -1.45 0.00 0.00 41.25 38.80 1by5 s ASN 150 CO 0.03 -0.21 0.36 -0.04 -3.72 0.00 0.00 177.10 173.52 1by5 s MET 151 N 1.70 3.72 -0.24 0.43 -1.94 0.77 -0.94 119.30 122.80 1by5 s MET 151 Ca 0.01 0.13 0.01 0.00 -1.71 0.00 0.00 55.69 54.12 1by5 s MET 151 Cb -0.15 -3.06 0.04 0.00 2.01 0.00 0.00 34.83 33.67 1by5 s MET 151 CO -0.07 0.61 -0.10 0.08 -0.01 0.00 0.00 175.02 175.52 1by5 s VAL 152 N -1.31 2.47 0.79 -6.03 1.01 -0.55 0.08 120.40 116.86 1by5 s VAL 152 Ca 0.30 -1.25 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 1by5 s VAL 152 Cb -0.14 -2.29 0.07 0.00 0.00 0.00 0.00 36.38 34.02 1by5 s VAL 152 CO 0.16 0.17 1.21 -0.44 0.00 0.00 0.00 175.10 176.20 1by5 s SER 153 N 1.23 3.71 0.66 3.32 0.01 -1.26 0.60 113.70 121.97 1by5 s SER 153 Ca -0.02 2.36 -0.13 0.00 1.31 0.00 0.00 55.95 59.47 1by5 s SER 153 Cb -0.17 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 1by5 s SER 153 CO -0.06 -2.59 1.06 -0.54 0.41 0.00 0.00 173.24 171.52 1by5 s LYS 154 N -4.10 3.05 0.23 12.44 1.02 -0.93 -4.26 119.74 127.20 1by5 s LYS 154 Ca 0.73 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.79 1by5 s LYS 154 Cb -0.29 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.98 1by5 s LYS 154 CO 0.50 -1.01 0.12 1.03 -0.92 0.00 0.00 175.35 175.06 1by5 s ARG 155 N -4.66 1.31 0.14 1.68 0.52 -1.26 -4.97 118.95 111.71 1by5 s ARG 155 Ca 0.60 -1.70 -0.34 0.00 -0.52 0.00 0.00 55.73 53.78 1by5 s ARG 155 Cb -0.15 0.03 -0.13 0.00 0.52 0.00 0.00 34.95 35.22 1by5 s ARG 155 CO 0.48 -0.35 1.64 -2.30 0.02 0.00 0.00 175.30 174.78 1by5 n PRO 156 N -0.37 2.27 -1.57 3.54 -0.02 -1.26 -4.95 135.00 132.64 1by5 n PRO 156 Ca 0.01 0.82 -0.31 0.00 -2.02 0.00 0.00 63.50 62.00 1by5 n PRO 156 Cb 0.66 -2.61 0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1by5 n PRO 156 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1by5 s THR 157 N 1.33 3.75 -0.04 3.45 2.01 -1.26 -5.01 115.64 119.87 1by5 s THR 157 Ca 0.80 0.57 -0.20 0.00 0.31 0.00 0.00 61.69 63.17 1by5 s THR 157 Cb -0.65 -3.32 -0.14 0.00 0.01 0.00 0.00 72.50 68.41 1by5 s THR 157 CO 0.38 -0.74 0.86 0.74 -0.69 0.00 0.00 174.62 175.17 1by5 h THR 158 N -0.82 0.54 -2.18 -0.82 2.02 -1.98 -3.45 112.91 106.22 1by5 h THR 158 Ca -0.45 -0.86 -0.44 0.00 0.77 0.00 0.00 66.41 65.43 1by5 h THR 158 Cb 1.23 0.88 0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1by5 h THR 158 CO 0.58 0.13 -0.20 -1.83 0.37 0.00 0.00 175.52 174.57 1by5 s GLU 159 N -3.61 2.97 0.58 6.66 1.03 -1.26 -4.93 118.70 120.14 1by5 s GLU 159 Ca -0.11 -0.83 -0.20 0.00 0.03 0.00 0.00 54.97 53.85 1by5 s GLU 159 Cb 0.01 -2.67 -0.03 0.00 -0.80 0.00 0.00 34.13 30.63 1by5 s GLU 159 CO 0.41 -0.22 1.33 -2.14 -1.33 0.00 0.00 175.26 173.31 1by5 s PRO 160 N -4.42 2.92 -0.04 -4.83 0.02 -1.26 -4.78 135.00 122.60 1by5 s PRO 160 Ca 0.49 2.16 -0.02 0.00 0.02 0.00 0.00 61.00 63.65 1by5 s PRO 160 Cb -0.10 -2.09 0.03 0.00 0.02 0.00 0.00 34.50 32.36 1by5 s PRO 160 CO 0.35 -1.34 0.07 -1.17 -0.33 0.00 0.00 177.00 174.58 1by5 s LEU 161 N -3.85 0.19 -0.47 -5.54 2.96 -0.17 -4.98 118.68 106.82 1by5 s LEU 161 Ca 0.76 0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.82 1by5 s LEU 161 Cb -0.39 -0.09 0.17 0.00 0.50 0.00 0.00 46.19 46.39 1by5 s LEU 161 CO 0.44 -0.24 0.38 0.29 -1.32 0.00 0.00 176.35 175.90 1by5 n LYS 162 N 5.21 0.55 -4.18 1.98 5.02 -1.25 -0.84 118.16 124.65 1by5 n LYS 162 Ca -0.05 -3.45 -0.33 0.00 -2.02 0.00 0.00 58.31 52.46 1by5 n LYS 162 Cb 0.50 -1.78 -0.08 0.00 -0.02 0.00 0.00 35.03 33.65 1by5 n LYS 162 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1by5 s GLU 163 N -0.32 2.97 -0.04 1.97 2.12 0.11 -0.65 118.70 124.86 1by5 s GLU 163 Ca 0.32 -0.51 0.01 0.00 0.36 0.00 0.00 54.97 55.14 1by5 s GLU 163 Cb 0.03 -2.80 0.02 0.00 0.26 0.00 0.00 34.13 31.64 1by5 s GLU 163 CO -0.19 0.65 -0.05 0.08 -0.54 0.00 0.00 175.26 175.20 1by5 s VAL 164 N -1.13 0.58 -0.05 3.70 1.01 0.11 -1.14 120.40 123.49 1by5 s VAL 164 Ca 0.21 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.04 1by5 s VAL 164 Cb -0.12 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.68 1by5 s VAL 164 CO 0.11 0.23 -0.12 -1.58 0.00 0.00 0.00 175.10 173.74 1by5 s GLN 165 N 0.77 1.55 -0.07 2.72 0.74 0.18 0.78 119.66 126.32 1by5 s GLN 165 Ca -0.11 -0.41 0.04 0.00 0.05 0.00 0.00 55.36 54.93 1by5 s GLN 165 Cb -0.14 -1.31 -0.02 0.00 1.10 0.00 0.00 33.01 32.64 1by5 s GLN 165 CO 0.01 0.07 -0.18 -0.06 -0.55 0.00 0.00 175.29 174.58 1by5 s PHE 166 N 0.50 2.63 0.03 1.67 0.08 0.12 -0.67 117.98 122.34 1by5 s PHE 166 Ca -0.11 -0.51 0.05 0.00 0.12 0.00 0.00 56.93 56.48 1by5 s PHE 166 Cb -0.14 -1.68 -0.02 0.00 -0.57 0.00 0.00 43.02 40.62 1by5 s PHE 166 CO 0.03 -0.08 -0.13 0.15 -0.10 0.00 0.00 175.22 175.08 1by5 s LYS 167 N -0.21 0.93 -0.20 0.44 1.02 0.25 -0.76 119.74 121.20 1by5 s LYS 167 Ca -0.01 -0.69 -0.10 0.00 0.02 0.00 0.00 55.97 55.19 1by5 s LYS 167 Cb -0.13 -0.92 0.07 0.00 -0.52 0.00 0.00 37.83 36.33 1by5 s LYS 167 CO 0.03 0.23 0.48 0.00 -0.92 0.00 0.00 175.35 175.17 1by5 s ALA 168 N -0.75 -1.28 0.05 5.17 0.00 -0.56 -1.49 121.76 122.90 1by5 s ALA 168 Ca 0.02 1.74 -0.01 0.00 0.00 0.00 0.00 51.96 53.71 1by5 s ALA 168 Cb -0.07 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1by5 s ALA 168 CO 0.01 -0.41 0.07 0.41 0.00 0.00 0.00 175.76 175.84 1by5 n GLY 169 N 4.54 2.64 3.72 0.00 0.00 -0.57 0.11 105.19 115.62 1by5 n GLY 169 Ca -0.19 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 1by5 n GLY 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1by5 s THR 170 N -2.61 2.23 -1.00 2.61 -4.23 -0.43 -2.68 115.64 109.52 1by5 s THR 170 Ca 0.03 0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.59 1by5 s THR 170 Cb -0.00 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.19 1by5 s THR 170 CO 0.02 -0.06 0.82 0.47 -0.54 0.00 0.00 174.62 175.32 1by5 n ASP 171 N -2.85 -5.16 -3.26 3.99 8.00 -1.26 -3.32 116.55 112.67 1by5 n ASP 171 Ca 0.13 -0.37 -0.23 0.00 0.71 0.00 0.00 54.79 55.03 1by5 n ASP 171 Cb 0.50 -3.79 0.01 0.00 -0.02 0.00 0.00 41.12 37.83 1by5 n ASP 171 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1by5 n SER 172 N -1.73 -4.66 -4.71 -2.24 7.64 -1.23 -1.08 113.62 105.62 1by5 n SER 172 Ca -0.00 -0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.09 1by5 n SER 172 Cb 0.55 -3.81 -0.03 0.00 -1.01 0.00 0.00 64.21 59.91 1by5 n SER 172 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1by5 s LEU 173 N -6.60 4.35 -0.02 -3.43 2.96 -1.09 -4.05 118.68 110.79 1by5 s LEU 173 Ca 0.38 1.77 0.01 0.00 -0.22 0.00 0.00 54.13 56.06 1by5 s LEU 173 Cb -0.19 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 42.95 1by5 s LEU 173 CO 0.47 -0.38 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.75 1by5 s PHE 174 N 1.26 0.31 -0.08 5.38 0.08 0.34 -1.51 117.98 123.77 1by5 s PHE 174 Ca 0.54 -0.01 -0.09 0.00 0.12 0.00 0.00 56.93 57.49 1by5 s PHE 174 Cb -0.24 -0.37 0.02 0.00 -0.57 0.00 0.00 43.02 41.87 1by5 s PHE 174 CO 0.27 -0.11 0.23 -1.14 -0.10 0.00 0.00 175.22 174.37 1by5 s GLN 175 N 0.83 0.32 -0.02 0.44 0.74 -0.55 -1.19 119.66 120.22 1by5 s GLN 175 Ca -0.08 0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.56 1by5 s GLN 175 Cb -0.12 0.15 0.01 0.00 1.10 0.00 0.00 33.01 34.16 1by5 s GLN 175 CO -0.01 -0.05 -0.03 -0.08 -0.55 0.00 0.00 175.29 174.56 1by5 s THR 176 N -0.11 0.35 0.17 -0.34 -1.32 -0.86 0.85 115.64 114.38 1by5 s THR 176 Ca -0.02 -0.10 -0.06 0.00 -1.21 0.00 0.00 61.69 60.30 1by5 s THR 176 Cb -0.02 -0.36 -0.02 0.00 -1.51 0.00 0.00 72.50 70.58 1by5 s THR 176 CO 0.01 0.14 0.22 -0.83 -2.21 0.00 0.00 174.62 171.95 1by5 s GLY 177 N 0.46 0.74 0.03 6.08 0.00 0.15 -1.21 107.32 113.57 1by5 s GLY 177 Ca -0.05 -1.15 -0.14 0.00 0.00 0.00 0.00 44.72 43.38 1by5 s GLY 177 CO -0.01 -1.03 0.32 -0.11 0.00 0.00 0.00 173.10 172.27 1by5 s PHE 178 N -4.02 -0.14 -0.16 1.90 -0.12 -0.28 -0.64 117.98 114.52 1by5 s PHE 178 Ca 0.22 0.07 -0.04 0.00 -0.05 0.00 0.00 56.93 57.13 1by5 s PHE 178 Cb 0.05 0.11 0.07 0.00 -0.63 0.00 0.00 43.02 42.61 1by5 s PHE 178 CO 0.03 -0.48 0.18 0.34 -0.05 0.00 0.00 175.22 175.23 1by5 s ASP 179 N -1.86 1.37 -0.04 1.98 -1.08 -0.29 -1.53 116.67 115.21 1by5 s ASP 179 Ca -0.07 -0.12 0.04 0.00 -0.52 0.00 0.00 52.55 51.88 1by5 s ASP 179 Cb -0.02 0.23 -0.00 0.00 -1.46 0.00 0.00 42.92 41.66 1by5 s ASP 179 CO -0.01 -0.30 -0.17 -0.36 0.52 0.00 0.00 175.17 174.84 1by5 s PHE 180 N 2.28 1.72 -0.14 -5.34 0.40 0.13 -0.71 117.98 116.32 1by5 s PHE 180 Ca 0.05 -0.49 -0.13 0.00 -0.60 0.00 0.00 56.93 55.75 1by5 s PHE 180 Cb -0.15 -1.16 0.04 0.00 0.51 0.00 0.00 43.02 42.26 1by5 s PHE 180 CO -0.09 -0.17 0.38 0.45 0.70 0.00 0.00 175.22 176.49 1by5 s SER 181 N 0.04 -0.39 0.09 1.36 0.15 -0.02 0.38 113.70 115.30 1by5 s SER 181 Ca -0.04 0.74 -0.26 0.00 0.70 0.00 0.00 55.95 57.09 1by5 s SER 181 Cb -0.12 0.75 0.09 0.00 -1.71 0.00 0.00 66.02 65.04 1by5 s SER 181 CO 0.02 -0.15 1.14 -0.62 1.20 0.00 0.00 173.24 174.84 1by5 s ASP 182 N 0.13 -0.02 0.36 5.45 -1.08 -1.04 -1.00 116.67 119.47 1by5 s ASP 182 Ca -0.01 -0.42 0.04 0.00 -0.52 0.00 0.00 52.55 51.64 1by5 s ASP 182 Cb -0.03 0.34 -0.01 0.00 -1.46 0.00 0.00 42.92 41.76 1by5 s ASP 182 CO 0.01 -0.67 0.53 -0.44 0.52 0.00 0.00 175.17 175.12 1by5 s SER 183 N -3.42 6.01 0.00 -0.34 0.01 -1.26 -1.36 113.70 113.35 1by5 s SER 183 Ca 0.22 0.08 0.06 0.00 1.31 0.00 0.00 55.95 57.62 1by5 s SER 183 Cb -0.01 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.71 1by5 s SER 183 CO 0.02 -0.45 0.50 0.18 0.41 0.00 0.00 173.24 173.90 1by5 n LEU 184 N -1.77 0.99 -4.15 2.44 4.77 0.56 -4.93 117.00 114.91 1by5 n LEU 184 Ca -0.02 -0.79 -0.10 0.00 -0.03 0.00 0.00 56.01 55.08 1by5 n LEU 184 Cb 0.58 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.57 1by5 n LEU 184 CO 0.45 0.21 -0.27 1.51 -1.33 0.00 0.00 177.39 177.96 1by5 s ASP 185 N -0.96 0.26 0.07 -1.43 1.47 -1.26 -5.03 116.67 109.80 1by5 s ASP 185 Ca 0.05 -1.23 -0.33 0.00 1.18 0.00 0.00 52.55 52.21 1by5 s ASP 185 Cb 0.05 0.32 -0.18 0.00 -0.34 0.00 0.00 42.92 42.77 1by5 s ASP 185 CO 0.14 -0.76 1.62 0.44 0.68 0.00 0.00 175.17 177.29 1by5 h ASP 186 N 2.79 -0.86 0.41 2.11 3.32 -1.96 -3.21 116.42 119.03 1by5 h ASP 186 Ca -0.35 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1by5 h ASP 186 Cb 1.21 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 41.00 1by5 h ASP 186 CO 0.57 -0.58 -0.04 0.44 -1.72 0.00 0.00 179.24 177.91 1by5 h ASP 187 N -0.95 0.00 -0.23 6.45 5.19 -1.99 -3.46 116.42 121.43 1by5 h ASP 187 Ca -0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1by5 h ASP 187 Cb 0.75 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1by5 h ASP 187 CO 0.13 0.04 0.00 0.61 -3.12 0.00 0.00 179.24 176.89 1by5 n GLY 188 N -0.64 1.06 0.13 2.75 0.00 -1.21 -4.98 105.19 102.30 1by5 n GLY 188 Ca -0.02 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 1by5 n GLY 188 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1by5 h VAL 189 N 0.00 1.43 -3.17 1.61 2.07 -1.84 -3.44 116.25 112.91 1by5 h VAL 189 Ca 0.00 -2.84 -0.61 0.00 0.82 0.00 0.00 66.70 64.07 1by5 h VAL 189 Cb 0.54 2.85 -0.35 0.00 -1.52 0.00 0.00 31.29 32.80 1by5 h VAL 189 CO 0.00 0.84 -0.84 -0.31 0.02 0.00 0.00 177.57 177.28 1by5 s TYR 190 N -2.79 2.22 0.12 1.57 1.51 -1.26 -1.27 117.35 117.44 1by5 s TYR 190 Ca -0.06 -1.18 0.03 0.00 -1.01 0.00 0.00 57.07 54.86 1by5 s TYR 190 Cb 0.07 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.28 1by5 s TYR 190 CO 0.90 -0.62 -0.08 -1.54 -1.11 0.00 0.00 175.55 173.10 1by5 s SER 191 N 1.24 1.43 0.23 2.29 1.04 -0.94 -0.32 113.70 118.66 1by5 s SER 191 Ca 0.00 -1.00 0.01 0.00 0.48 0.00 0.00 55.95 55.44 1by5 s SER 191 Cb -0.14 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1by5 s SER 191 CO -0.07 -0.40 0.16 -0.72 0.98 0.00 0.00 173.24 173.19 1by5 s TYR 192 N -3.44 1.27 -0.22 5.02 1.13 -0.46 -0.93 117.35 119.73 1by5 s TYR 192 Ca 0.13 -1.43 -0.11 0.00 -1.41 0.00 0.00 57.07 54.25 1by5 s TYR 192 Cb 0.04 -0.59 0.07 0.00 -1.10 0.00 0.00 41.96 40.38 1by5 s TYR 192 CO -0.02 -0.69 0.52 0.50 -2.51 0.00 0.00 175.55 173.35 1by5 s ARG 193 N -4.02 0.50 -0.13 -3.49 3.52 -0.65 -2.49 118.95 112.18 1by5 s ARG 193 Ca 0.39 1.01 0.01 0.00 -0.13 0.00 0.00 55.73 57.01 1by5 s ARG 193 Cb 0.06 0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.61 1by5 s ARG 193 CO 0.15 -0.17 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.17 1by5 s LEU 194 N 1.74 1.56 -0.03 -0.88 2.96 0.16 -1.37 118.68 122.83 1by5 s LEU 194 Ca -0.08 -0.42 0.05 0.00 -0.22 0.00 0.00 54.13 53.46 1by5 s LEU 194 Cb -0.08 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.54 1by5 s LEU 194 CO -0.16 -0.05 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.74 1by5 s THR 195 N 1.40 1.56 0.10 3.68 2.01 -1.14 -0.69 115.64 122.56 1by5 s THR 195 Ca 0.02 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 61.01 1by5 s THR 195 Cb -0.13 -1.32 0.05 0.00 0.01 0.00 0.00 72.50 71.10 1by5 s THR 195 CO -0.08 0.44 0.47 -0.83 -0.69 0.00 0.00 174.62 173.94 1by5 s GLY 196 N -0.22 -0.38 0.01 4.40 0.00 -0.58 0.60 107.32 111.14 1by5 s GLY 196 Ca 0.02 0.27 -0.25 0.00 0.00 0.00 0.00 44.72 44.76 1by5 s GLY 196 CO 0.01 -0.01 0.57 0.48 0.00 0.00 0.00 173.10 174.15 1by5 s LEU 197 N -2.46 -0.27 -0.06 0.66 -0.00 -0.23 -1.13 118.68 115.20 1by5 s LEU 197 Ca -0.01 0.39 0.01 0.00 -0.00 0.00 0.00 54.13 54.52 1by5 s LEU 197 Cb 0.00 2.25 0.02 0.00 -0.00 0.00 0.00 46.19 48.46 1by5 s LEU 197 CO -0.08 -0.66 -0.07 0.00 -0.00 0.00 0.00 176.35 175.54 1by5 s ALA 198 N -1.89 0.89 -0.02 1.48 0.00 -0.35 -1.42 121.76 120.46 1by5 s ALA 198 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1by5 s ALA 198 Cb -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1by5 s ALA 198 CO 0.03 -0.03 0.00 0.50 0.00 0.00 0.00 175.76 176.27 1by5 s ARG 199 N 0.95 0.12 -0.01 0.00 3.52 0.18 -2.02 118.95 121.69 1by5 s ARG 199 Ca -0.10 0.06 0.04 0.00 -0.13 0.00 0.00 55.73 55.60 1by5 s ARG 199 Cb -0.15 -0.26 -0.01 0.00 -1.56 0.00 0.00 34.95 32.97 1by5 s ARG 199 CO 0.00 -0.08 -0.13 0.45 -0.81 0.00 0.00 175.30 174.73 1by5 s SER 200 N 0.63 1.51 -0.02 -2.12 0.15 -0.34 -1.07 113.70 112.45 1by5 s SER 200 Ca -0.06 -0.25 -0.30 0.00 0.70 0.00 0.00 55.95 56.04 1by5 s SER 200 Cb -0.08 -0.16 0.11 0.00 -1.71 0.00 0.00 66.02 64.17 1by5 s SER 200 CO -0.01 0.15 0.97 0.00 1.20 0.00 0.00 173.24 175.54 1by5 s ALA 201 N -0.35 -1.87 0.19 5.45 0.00 -0.03 -0.50 121.76 124.65 1by5 s ALA 201 Ca 0.05 1.02 -0.09 0.00 0.00 0.00 0.00 51.96 52.94 1by5 s ALA 201 Cb -0.05 0.34 -0.07 0.00 0.00 0.00 0.00 23.12 23.34 1by5 s ALA 201 CO -0.00 -0.72 0.49 -0.80 0.00 0.00 0.00 175.76 174.73 1by5 s ASN 202 N -2.49 6.61 0.67 0.00 0.01 -0.24 -0.00 114.94 119.50 1by5 s ASN 202 Ca 0.07 0.84 -0.11 0.00 -0.71 0.00 0.00 52.86 52.95 1by5 s ASN 202 Cb -0.01 -2.19 -0.01 0.00 0.41 0.00 0.00 41.25 39.45 1by5 s ASN 202 CO -0.07 -0.00 1.06 0.00 -1.51 0.00 0.00 177.10 176.58 1by5 s ALA 203 N -1.71 2.93 0.25 0.60 0.00 0.87 -4.75 121.76 119.95 1by5 s ALA 203 Ca 0.44 -0.15 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 1by5 s ALA 203 Cb -0.12 -3.08 0.36 0.00 0.00 0.00 0.00 23.12 20.28 1by5 s ALA 203 CO 0.21 -0.96 1.85 0.37 0.00 0.00 0.00 175.76 177.24 1by5 h GLN 204 N -0.52 0.93 -6.38 0.00 4.15 -1.94 -3.41 115.11 107.95 1by5 h GLN 204 Ca -0.44 -0.06 -0.54 0.00 0.77 0.00 0.00 58.65 58.38 1by5 h GLN 204 Cb 1.22 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.66 1by5 h GLN 204 CO 0.62 0.62 0.24 1.14 -1.93 0.00 0.00 178.83 179.52 1by5 s GLN 205 N -6.05 4.56 0.28 1.69 0.00 -1.26 -4.53 119.66 114.36 1by5 s GLN 205 Ca -0.13 1.21 -0.28 0.00 -0.00 0.00 0.00 55.36 56.16 1by5 s GLN 205 Cb 0.19 -3.38 -0.14 0.00 0.00 0.00 0.00 33.01 29.68 1by5 s GLN 205 CO 0.79 0.22 1.05 1.63 0.00 0.00 0.00 175.29 178.98 1by5 n LYS 206 N 2.96 1.42 0.00 9.60 5.02 -0.52 -2.46 118.16 134.17 1by5 n LYS 206 Ca -0.00 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1by5 n LYS 206 Cb 0.50 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1by5 n LYS 206 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1by5 n GLY 207 N 1.27 3.00 3.87 0.72 0.00 -1.26 -4.71 105.19 108.08 1by5 n GLY 207 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1by5 n GLY 207 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1by5 s SER 208 N -0.26 6.63 0.14 1.61 0.01 -1.03 -5.02 113.70 115.79 1by5 s SER 208 Ca 0.00 0.79 0.04 0.00 1.31 0.00 0.00 55.95 58.09 1by5 s SER 208 Cb 0.00 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 1by5 s SER 208 CO 0.00 0.15 -0.08 -1.83 0.41 0.00 0.00 173.24 171.89 1by5 s GLU 209 N -2.02 1.02 -0.06 12.44 -1.05 -1.26 -0.09 118.70 127.68 1by5 s GLU 209 Ca 0.35 -1.44 0.03 0.00 -0.15 0.00 0.00 54.97 53.76 1by5 s GLU 209 Cb -0.14 -0.49 0.00 0.00 -0.44 0.00 0.00 34.13 33.06 1by5 s GLU 209 CO 0.19 0.03 -0.15 -1.21 0.95 0.00 0.00 175.26 175.07 1by5 s GLU 210 N -3.79 1.80 -0.03 -4.83 2.02 1.00 -2.65 118.70 112.23 1by5 s GLU 210 Ca 0.16 -0.53 -0.02 0.00 0.02 0.00 0.00 54.97 54.60 1by5 s GLU 210 Cb 0.04 -1.51 0.02 0.00 0.10 0.00 0.00 34.13 32.78 1by5 s GLU 210 CO -0.00 0.14 0.08 -0.65 0.02 0.00 0.00 175.26 174.85 1by5 s GLN 211 N 0.32 0.05 -0.08 1.61 -0.21 0.00 -0.85 119.66 120.51 1by5 s GLN 211 Ca -0.09 0.18 -0.06 0.00 0.02 0.00 0.00 55.36 55.41 1by5 s GLN 211 Cb -0.14 -0.08 0.03 0.00 1.00 0.00 0.00 33.01 33.82 1by5 s GLN 211 CO 0.03 -0.09 0.21 0.50 -2.12 0.00 0.00 175.29 173.83 1by5 s ARG 212 N 0.56 0.21 -0.10 2.91 3.52 -0.23 -3.94 118.95 121.88 1by5 s ARG 212 Ca -0.04 0.37 -0.02 0.00 -0.13 0.00 0.00 55.73 55.91 1by5 s ARG 212 Cb -0.06 0.01 0.03 0.00 -1.56 0.00 0.00 34.95 33.37 1by5 s ARG 212 CO -0.02 -0.09 -0.00 0.71 -0.81 0.00 0.00 175.30 175.09 1by5 s TYR 213 N 0.60 0.82 0.03 5.12 2.02 -0.33 -0.65 117.35 124.96 1by5 s TYR 213 Ca -0.04 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 1by5 s TYR 213 Cb -0.05 -0.89 -0.02 0.00 -0.40 0.00 0.00 41.96 40.60 1by5 s TYR 213 CO -0.03 -0.40 -0.06 0.00 -1.57 0.00 0.00 175.55 173.49 1by5 s ALA 214 N 1.92 0.40 -0.02 3.71 0.00 -0.51 -0.35 121.76 126.92 1by5 s ALA 214 Ca 0.04 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 1by5 s ALA 214 Cb -0.13 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1by5 s ALA 214 CO -0.06 -0.04 0.06 -1.50 0.00 0.00 0.00 175.76 174.21 1by5 s ILE 215 N -1.18 0.00 -0.41 0.00 1.10 -0.04 -1.06 121.20 119.62 1by5 s ILE 215 Ca -0.10 -0.02 0.01 0.00 -0.51 0.00 0.00 60.65 60.04 1by5 s ILE 215 Cb -0.08 -0.09 0.14 0.00 0.15 0.00 0.00 42.46 42.57 1by5 s ILE 215 CO -0.00 -0.01 0.23 0.00 -2.11 0.00 0.00 174.94 173.05 1by5 s ALA 216 N -0.00 1.72 0.28 1.50 0.00 0.20 -0.89 121.76 124.57 1by5 s ALA 216 Ca -0.00 -2.33 -0.29 0.00 0.00 0.00 0.00 51.96 49.34 1by5 s ALA 216 Cb -0.01 -1.79 -0.09 0.00 0.00 0.00 0.00 23.12 21.23 1by5 s ALA 216 CO 0.00 -2.08 1.00 -2.14 0.00 0.00 0.00 175.76 172.54 1by5 s PRO 217 N 0.62 4.68 0.01 0.00 0.02 -1.20 -2.90 135.00 136.22 1by5 s PRO 217 Ca 0.18 1.56 -0.13 0.00 0.02 0.00 0.00 61.00 62.63 1by5 s PRO 217 Cb -0.24 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.20 1by5 s PRO 217 CO 0.01 0.32 0.28 0.00 -0.33 0.00 0.00 177.00 177.28 1by5 s ALA 218 N -1.29 -0.68 -0.11 -1.55 0.00 -0.47 -1.72 121.76 115.94 1by5 s ALA 218 Ca 0.45 0.15 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 1by5 s ALA 218 Cb -0.26 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.05 1by5 s ALA 218 CO 0.33 -0.31 0.30 -0.06 0.00 0.00 0.00 175.76 176.03 1by5 s PHE 219 N -1.78 -0.33 -0.12 0.00 0.08 -0.90 -1.64 117.98 113.30 1by5 s PHE 219 Ca -0.11 0.80 0.03 0.00 0.12 0.00 0.00 56.93 57.78 1by5 s PHE 219 Cb -0.04 0.11 0.01 0.00 -0.57 0.00 0.00 43.02 42.53 1by5 s PHE 219 CO 0.01 -0.17 -0.22 0.99 -0.10 0.00 0.00 175.22 175.74 1by5 s THR 220 N 0.12 1.97 -0.17 0.64 2.01 -0.10 0.43 115.64 120.55 1by5 s THR 220 Ca -0.00 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 1by5 s THR 220 Cb -0.02 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 1by5 s THR 220 CO 0.00 0.54 -0.10 0.86 -0.69 0.00 0.00 174.62 175.23 1by5 s TRP 221 N 0.61 2.87 -0.64 4.92 -0.00 0.55 -2.20 118.94 125.05 1by5 s TRP 221 Ca -0.13 -0.85 0.05 0.00 -0.00 0.00 0.00 56.10 55.18 1by5 s TRP 221 Cb -0.17 -1.95 0.19 0.00 -0.00 0.00 0.00 33.47 31.53 1by5 s TRP 221 CO 0.03 -0.40 0.51 0.54 -0.00 0.00 0.00 176.95 177.64 1by5 n ARG 222 N 4.12 1.62 0.02 5.86 1.74 -0.40 -0.80 116.66 128.83 1by5 n ARG 222 Ca -0.18 -4.25 0.18 0.00 -0.77 0.00 0.00 57.85 52.83 1by5 n ARG 222 Cb 0.52 -2.14 0.66 0.00 -1.02 0.00 0.00 32.46 30.48 1by5 n ARG 222 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1by5 h PRO 223 N 5.18 0.04 -4.13 5.56 0.13 -1.84 -3.44 132.00 133.51 1by5 h PRO 223 Ca 0.17 -0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.07 1by5 h PRO 223 Cb 0.77 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.79 1by5 h PRO 223 CO 0.67 0.03 -0.26 0.16 -0.23 0.00 0.00 178.00 178.37 1by5 s ASP 224 N -6.31 0.61 0.00 1.44 1.47 -1.26 -5.04 116.67 107.58 1by5 s ASP 224 Ca -0.05 -1.36 0.23 0.00 1.18 0.00 0.00 52.55 52.56 1by5 s ASP 224 Cb 0.19 0.59 1.40 0.00 -0.34 0.00 0.00 42.92 44.77 1by5 s ASP 224 CO 0.73 -1.18 1.78 -0.90 0.68 0.00 0.00 175.17 176.28 1by5 n ASP 225 N -1.00 0.00 -0.33 2.11 5.75 -1.26 -2.68 116.55 119.14 1by5 n ASP 225 Ca 0.01 -0.79 0.04 0.00 -0.01 0.00 0.00 54.79 54.03 1by5 n ASP 225 Cb 0.62 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.77 1by5 n ASP 225 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1by5 n LYS 226 N -0.98 0.92 -4.20 0.11 4.01 -1.26 -4.99 118.16 111.77 1by5 n LYS 226 Ca 0.18 -1.22 -0.21 0.00 -0.51 0.00 0.00 58.31 56.55 1by5 n LYS 226 Cb 0.08 -1.15 -0.16 0.00 -0.51 0.00 0.00 35.03 33.29 1by5 n LYS 226 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1by5 s THR 227 N -0.73 0.61 -0.08 -0.18 2.01 -1.09 -0.78 115.64 115.40 1by5 s THR 227 Ca 0.11 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 1by5 s THR 227 Cb 0.07 -0.63 0.03 0.00 0.01 0.00 0.00 72.50 71.97 1by5 s THR 227 CO 0.09 0.24 -0.03 0.21 -0.69 0.00 0.00 174.62 174.45 1by5 s ASN 228 N 0.92 1.66 -0.31 3.53 2.47 -0.67 -4.16 114.94 118.39 1by5 s ASN 228 Ca -0.11 -0.16 0.03 0.00 0.42 0.00 0.00 52.86 53.04 1by5 s ASN 228 Cb -0.14 -0.57 0.09 0.00 -1.45 0.00 0.00 41.25 39.17 1by5 s ASN 228 CO 0.00 -0.14 -0.00 0.12 -3.72 0.00 0.00 177.10 173.36 1by5 s PHE 229 N 1.69 3.38 -0.29 0.43 5.36 0.02 -1.85 117.98 126.72 1by5 s PHE 229 Ca 0.02 -2.63 -0.08 0.00 -0.96 0.00 0.00 56.93 53.28 1by5 s PHE 229 Cb -0.13 -2.45 -0.01 0.00 -0.34 0.00 0.00 43.02 40.09 1by5 s PHE 229 CO -0.05 -0.91 0.11 0.99 -1.46 0.00 0.00 175.22 173.90 1by5 s THR 230 N 1.05 4.38 0.12 0.12 2.01 0.00 -0.33 115.64 122.99 1by5 s THR 230 Ca 0.04 -0.38 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 1by5 s THR 230 Cb -0.19 -3.17 -0.07 0.00 0.01 0.00 0.00 72.50 69.07 1by5 s THR 230 CO -0.08 0.17 0.76 0.12 -0.69 0.00 0.00 174.62 174.90 1by5 s PHE 231 N 1.59 3.85 -0.04 4.92 5.36 0.17 -0.94 117.98 132.89 1by5 s PHE 231 Ca 0.05 1.57 0.00 0.00 -0.96 0.00 0.00 56.93 57.59 1by5 s PHE 231 Cb -0.16 -2.77 0.02 0.00 -0.34 0.00 0.00 43.02 39.77 1by5 s PHE 231 CO 0.05 0.44 -0.02 -0.51 -1.46 0.00 0.00 175.22 173.72 1by5 s LEU 232 N -0.78 1.16 0.04 6.12 1.43 0.48 -2.11 118.68 125.02 1by5 s LEU 232 Ca 0.36 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1by5 s LEU 232 Cb -0.22 -0.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 1by5 s LEU 232 CO 0.25 -0.09 -0.04 -0.94 0.23 0.00 0.00 176.35 175.76 1by5 s SER 233 N 1.08 0.49 -0.17 2.29 1.04 -0.70 -0.82 113.70 116.91 1by5 s SER 233 Ca -0.09 -0.83 -0.09 0.00 0.48 0.00 0.00 55.95 55.42 1by5 s SER 233 Cb -0.14 0.15 0.06 0.00 0.10 0.00 0.00 66.02 66.20 1by5 s SER 233 CO -0.01 -0.48 0.42 -0.47 0.98 0.00 0.00 173.24 173.68 1by5 s TYR 234 N -3.04 -0.63 -0.08 5.02 5.04 -0.33 -3.20 117.35 120.14 1by5 s TYR 234 Ca -0.00 1.32 0.01 0.00 -2.44 0.00 0.00 57.07 55.95 1by5 s TYR 234 Cb 0.02 0.28 0.02 0.00 0.35 0.00 0.00 41.96 42.62 1by5 s TYR 234 CO -0.06 -0.36 -0.07 -0.06 -1.34 0.00 0.00 175.55 173.66 1by5 s PHE 235 N 1.48 1.21 -0.02 4.97 0.40 -0.06 -0.69 117.98 125.26 1by5 s PHE 235 Ca -0.09 -0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 55.73 1by5 s PHE 235 Cb -0.08 -1.01 0.02 0.00 0.51 0.00 0.00 43.02 42.45 1by5 s PHE 235 CO -0.13 -0.35 0.05 -1.14 0.70 0.00 0.00 175.22 174.35 1by5 s GLN 236 N 1.28 0.02 -0.10 0.44 0.74 0.25 -0.86 119.66 121.43 1by5 s GLN 236 Ca -0.04 0.15 0.02 0.00 0.05 0.00 0.00 55.36 55.54 1by5 s GLN 236 Cb -0.14 -0.11 0.01 0.00 1.10 0.00 0.00 33.01 33.88 1by5 s GLN 236 CO -0.03 -0.09 -0.15 1.21 -0.55 0.00 0.00 175.29 175.68 1by5 s ASN 237 N 0.59 2.35 -0.40 6.67 2.47 0.53 0.03 114.94 127.18 1by5 s ASN 237 Ca -0.05 -0.41 0.02 0.00 0.42 0.00 0.00 52.86 52.85 1by5 s ASN 237 Cb -0.07 -1.05 0.12 0.00 -1.45 0.00 0.00 41.25 38.80 1by5 s ASN 237 CO -0.02 0.02 0.17 -1.61 -3.72 0.00 0.00 177.10 171.94 1by5 s GLU 238 N 0.92 1.35 0.53 0.43 2.02 0.07 -1.19 118.70 122.82 1by5 s GLU 238 Ca -0.08 -1.89 0.20 0.00 0.02 0.00 0.00 54.97 53.21 1by5 s GLU 238 Cb -0.15 -2.67 1.35 0.00 0.10 0.00 0.00 34.13 32.76 1by5 s GLU 238 CO -0.00 -1.06 2.11 -1.35 0.02 0.00 0.00 175.26 174.98 1by5 h PRO 239 N 7.20 0.00 -2.90 0.39 0.11 -1.82 -1.45 132.00 133.53 1by5 h PRO 239 Ca -0.06 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.85 1by5 h PRO 239 Cb 0.96 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.76 1by5 h PRO 239 CO 0.53 0.00 -0.50 -1.21 -0.21 0.00 0.00 178.00 176.61 1by5 s GLU 240 N -5.01 0.18 0.03 1.05 0.41 -1.24 -4.24 118.70 109.87 1by5 s GLU 240 Ca -0.05 0.68 0.23 0.00 -0.41 0.00 0.00 54.97 55.42 1by5 s GLU 240 Cb 0.18 -0.06 0.17 0.00 -1.78 0.00 0.00 34.13 32.64 1by5 s GLU 240 CO 0.68 -0.24 1.15 0.25 -0.49 0.00 0.00 175.26 176.61 1by5 n THR 241 N 4.93 0.09 0.00 3.63 -2.24 -0.01 -0.82 114.28 119.88 1by5 n THR 241 Ca -0.13 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1by5 n THR 241 Cb 0.51 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1by5 n THR 241 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1by5 n GLY 242 N 1.43 -0.94 3.80 3.38 0.00 -1.08 -4.47 105.19 107.31 1by5 n GLY 242 Ca 0.04 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.58 1by5 n GLY 242 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1by5 s TYR 243 N 0.00 3.40 -0.36 1.61 5.04 -1.26 -4.83 117.35 120.94 1by5 s TYR 243 Ca 0.00 1.67 0.12 0.00 -2.44 0.00 0.00 57.07 56.42 1by5 s TYR 243 Cb 0.00 -2.95 0.40 0.00 0.35 0.00 0.00 41.96 39.76 1by5 s TYR 243 CO 0.00 -0.18 1.44 0.98 -1.34 0.00 0.00 175.55 176.45 1by5 n TYR 244 N -0.16 -2.10 -3.20 4.97 9.36 -1.26 -4.69 117.16 120.08 1by5 n TYR 244 Ca 0.05 -1.84 -0.13 0.00 3.32 0.00 0.00 57.90 59.30 1by5 n TYR 244 Cb 0.52 1.50 0.03 0.00 -0.63 0.00 0.00 39.34 40.76 1by5 n TYR 244 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1by5 n GLY 245 N -1.08 2.18 3.31 2.98 0.00 -1.26 -5.03 105.19 106.29 1by5 n GLY 245 Ca -0.10 -2.20 -0.31 0.00 0.00 0.00 0.00 46.02 43.40 1by5 n GLY 245 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1by5 s TRP 246 N -1.30 2.42 -0.03 1.61 0.51 -1.26 -4.93 118.94 115.95 1by5 s TRP 246 Ca 0.33 -0.51 0.07 0.00 -2.12 0.00 0.00 56.10 53.86 1by5 s TRP 246 Cb -0.03 -1.56 -0.02 0.00 -0.81 0.00 0.00 33.47 31.06 1by5 s TRP 246 CO 0.21 -0.08 -0.25 -0.51 -0.51 0.00 0.00 176.95 175.81 1by5 s LEU 247 N -0.44 2.05 0.72 2.99 1.02 -1.02 -3.82 118.68 120.17 1by5 s LEU 247 Ca 0.05 -0.46 -0.11 0.00 0.02 0.00 0.00 54.13 53.63 1by5 s LEU 247 Cb -0.12 -1.30 0.02 0.00 0.02 0.00 0.00 46.19 44.82 1by5 s LEU 247 CO 0.01 0.29 1.07 -2.16 0.02 0.00 0.00 176.35 175.58 1by5 s PRO 248 N -0.48 2.75 0.45 1.29 0.04 -1.26 0.78 135.00 138.57 1by5 s PRO 248 Ca 0.06 0.94 0.19 0.00 0.04 0.00 0.00 61.00 62.23 1by5 s PRO 248 Cb -0.11 -1.97 1.08 0.00 0.04 0.00 0.00 34.50 33.55 1by5 s PRO 248 CO 0.00 -1.23 1.96 1.57 0.04 0.00 0.00 177.00 179.34 1by5 h LYS 249 N -0.81 0.00 -6.27 4.56 2.10 -0.81 -3.31 116.57 112.03 1by5 h LYS 249 Ca -0.44 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 57.68 1by5 h LYS 249 Cb 1.22 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.48 1by5 h LYS 249 CO 0.56 0.22 1.13 -1.21 -2.00 0.00 0.00 179.45 178.16 1by5 s GLU 250 N -4.27 3.06 0.00 0.07 8.01 -1.26 -1.70 118.70 122.62 1by5 s GLU 250 Ca -0.03 -0.06 0.00 0.00 0.01 0.00 0.00 54.97 54.89 1by5 s GLU 250 Cb 0.14 -4.25 0.00 0.00 -4.31 0.00 0.00 34.13 25.71 1by5 s GLU 250 CO 0.66 -2.29 0.00 0.41 0.01 0.00 0.00 175.26 174.05 1by5 n GLY 251 N 5.48 1.61 0.46 -1.39 0.00 0.76 -4.80 105.19 107.32 1by5 n GLY 251 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1by5 n GLY 251 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1by5 n THR 252 N 0.00 0.00 -0.05 2.61 -2.24 -0.88 -0.24 114.28 113.48 1by5 n THR 252 Ca 0.00 0.03 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 1by5 n THR 252 Cb 0.00 -0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 67.34 1by5 n THR 252 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1by5 h VAL 253 N 0.00 1.34 -3.41 2.28 -1.51 -1.59 -3.45 116.25 109.92 1by5 h VAL 253 Ca 0.00 -1.69 -0.66 0.00 -1.23 0.00 0.00 66.70 63.12 1by5 h VAL 253 Cb 0.00 1.99 -0.18 0.00 -2.13 0.00 0.00 31.29 30.97 1by5 h VAL 253 CO 0.00 0.52 -0.80 -1.83 -1.23 0.00 0.00 177.57 174.23 1by5 s GLU 254 N -3.92 1.73 0.82 5.19 -1.05 -0.89 -5.03 118.70 115.55 1by5 s GLU 254 Ca -0.13 -1.32 -0.10 0.00 -0.15 0.00 0.00 54.97 53.26 1by5 s GLU 254 Cb 0.07 -2.02 0.08 0.00 -0.44 0.00 0.00 34.13 31.82 1by5 s GLU 254 CO 0.83 0.44 1.10 -1.25 0.95 0.00 0.00 175.26 177.33 1by5 s PRO 255 N -2.46 1.89 0.85 -4.83 0.04 -1.26 -0.17 135.00 129.06 1by5 s PRO 255 Ca 0.20 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 1by5 s PRO 255 Cb -0.09 -1.85 0.10 0.00 0.04 0.00 0.00 34.50 32.70 1by5 s PRO 255 CO 0.11 -1.92 1.13 -0.51 0.04 0.00 0.00 177.00 175.85 1by5 s LEU 256 N -6.10 2.31 0.65 -3.56 1.43 0.16 -4.32 118.68 109.24 1by5 s LEU 256 Ca 0.63 1.05 0.25 0.00 -1.03 0.00 0.00 54.13 55.02 1by5 s LEU 256 Cb -0.18 -3.51 1.32 0.00 0.03 0.00 0.00 46.19 43.84 1by5 s LEU 256 CO 0.57 -2.22 1.74 1.55 0.23 0.00 0.00 176.35 178.23 1by5 h PRO 257 N -1.26 0.00 -0.61 1.29 0.13 -1.88 0.48 132.00 130.15 1by5 h PRO 257 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1by5 h PRO 257 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1by5 h PRO 257 CO 0.62 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.66 1by5 n ASN 258 N -3.00 3.63 0.00 1.44 6.94 -1.26 -4.91 115.26 118.10 1by5 n ASN 258 Ca 0.01 -2.31 0.00 0.00 -0.02 0.00 0.00 54.58 52.27 1by5 n ASN 258 Cb 0.58 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 1by5 n ASN 258 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1by5 n GLY 259 N 0.96 0.43 3.75 4.83 0.00 0.17 -5.02 105.19 110.31 1by5 n GLY 259 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1by5 n GLY 259 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1by5 s LYS 260 N -0.48 2.42 0.27 1.61 1.02 -1.25 -4.75 119.74 118.58 1by5 s LYS 260 Ca 0.00 -1.52 0.11 0.00 0.02 0.00 0.00 55.97 54.59 1by5 s LYS 260 Cb 0.00 -2.22 -0.05 0.00 -0.52 0.00 0.00 37.83 35.04 1by5 s LYS 260 CO 0.00 0.10 -0.16 1.03 -0.92 0.00 0.00 175.35 175.40 1by5 s ARG 261 N -3.87 1.80 0.14 1.68 0.52 -1.26 0.41 118.95 118.36 1by5 s ARG 261 Ca 0.38 -1.68 -0.29 0.00 -0.52 0.00 0.00 55.73 53.63 1by5 s ARG 261 Cb -0.03 -1.86 -0.07 0.00 0.52 0.00 0.00 34.95 33.51 1by5 s ARG 261 CO 0.23 0.34 0.90 -0.51 0.02 0.00 0.00 175.30 176.28 1by5 s LEU 262 N -3.48 4.54 0.74 2.53 1.43 0.66 -5.02 118.68 120.08 1by5 s LEU 262 Ca 0.30 1.75 -0.15 0.00 -1.03 0.00 0.00 54.13 55.00 1by5 s LEU 262 Cb -0.06 -3.49 0.02 0.00 0.03 0.00 0.00 46.19 42.69 1by5 s LEU 262 CO 0.16 0.04 1.03 -0.81 0.23 0.00 0.00 176.35 176.99 1by5 n PRO 263 N 2.33 0.45 0.28 1.29 -0.04 -1.26 -4.87 135.00 133.18 1by5 n PRO 263 Ca -0.01 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 63.81 1by5 n PRO 263 Cb 0.49 -2.28 0.81 0.00 -0.04 0.00 0.00 33.50 32.48 1by5 n PRO 263 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1by5 h THR 264 N -0.40 0.55 -0.47 0.52 1.35 -1.98 -1.77 112.91 110.72 1by5 h THR 264 Ca -0.47 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1by5 h THR 264 Cb 1.32 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1by5 h THR 264 CO 0.47 0.06 0.00 -0.90 -0.25 0.00 0.00 175.52 174.90 1by5 n ASP 265 N -3.74 3.27 -4.76 5.36 5.68 -1.26 -4.69 116.55 116.41 1by5 n ASP 265 Ca -0.02 -2.22 -0.39 0.00 -0.50 0.00 0.00 54.79 51.65 1by5 n ASP 265 Cb 0.17 -0.44 0.02 0.00 -1.14 0.00 0.00 41.12 39.72 1by5 n ASP 265 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1by5 s PHE 266 N -1.63 2.48 -0.10 2.11 5.36 -0.67 -1.44 117.98 124.09 1by5 s PHE 266 Ca 0.35 1.33 -0.02 0.00 -0.96 0.00 0.00 56.93 57.63 1by5 s PHE 266 Cb 0.22 -3.82 0.04 0.00 -0.34 0.00 0.00 43.02 39.11 1by5 s PHE 266 CO 0.19 -2.73 0.02 1.21 -1.46 0.00 0.00 175.22 172.45 1by5 s ASN 267 N -0.71 1.83 0.00 6.13 3.84 -1.26 -4.75 114.94 120.01 1by5 s ASN 267 Ca 0.64 -0.24 0.23 0.00 0.21 0.00 0.00 52.86 53.70 1by5 s ASN 267 Cb -0.41 -0.42 0.57 0.00 -0.55 0.00 0.00 41.25 40.44 1by5 s ASN 267 CO 0.52 -0.23 1.47 -1.84 -2.79 0.00 0.00 177.10 174.22 1by5 n GLU 268 N 5.16 2.11 -2.07 0.43 -0.00 -1.26 -4.96 120.64 120.05 1by5 n GLU 268 Ca -0.07 -1.66 -0.28 0.00 -0.00 0.00 0.00 57.16 55.16 1by5 n GLU 268 Cb 0.49 -1.46 0.10 0.00 -0.00 0.00 0.00 31.44 30.57 1by5 n GLU 268 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1by5 s GLY 269 N -1.69 1.68 0.79 -1.84 0.00 -1.26 -4.68 107.32 100.32 1by5 s GLY 269 Ca 0.34 -0.93 -0.11 0.00 0.00 0.00 0.00 44.72 44.03 1by5 s GLY 269 CO 0.30 -0.42 1.10 0.00 0.00 0.00 0.00 173.10 174.08 1by5 s ALA 270 N -3.48 2.16 0.01 3.20 0.00 -1.26 -4.83 121.76 117.57 1by5 s ALA 270 Ca 0.64 0.31 0.28 0.00 0.00 0.00 0.00 51.96 53.19 1by5 s ALA 270 Cb -0.09 -3.30 1.01 0.00 0.00 0.00 0.00 23.12 20.74 1by5 s ALA 270 CO 0.48 -1.88 1.85 -0.22 0.00 0.00 0.00 175.76 175.99 1by5 h LYS 271 N -1.19 0.00 -0.66 0.00 3.64 -1.57 -3.01 116.57 113.77 1by5 h LYS 271 Ca -0.44 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.64 1by5 h LYS 271 Cb 1.24 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.87 1by5 h LYS 271 CO 0.50 0.09 0.27 0.27 -2.27 0.00 0.00 179.45 178.31 1by5 n ASN 272 N -3.19 3.44 -4.76 4.20 6.94 -1.26 -4.97 115.26 115.66 1by5 n ASN 272 Ca 0.01 -3.58 -0.35 0.00 -0.02 0.00 0.00 54.58 50.64 1by5 n ASN 272 Cb 0.40 -0.73 0.03 0.00 -2.36 0.00 0.00 39.78 37.12 1by5 n ASN 272 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1by5 s ASN 273 N -1.78 5.24 -0.14 0.53 0.01 -1.14 -4.95 114.94 112.71 1by5 s ASN 273 Ca 0.51 2.27 -0.18 0.00 -0.71 0.00 0.00 52.86 54.75 1by5 s ASN 273 Cb 0.44 -2.59 0.05 0.00 0.41 0.00 0.00 41.25 39.56 1by5 s ASN 273 CO 0.07 -1.55 0.48 0.28 -1.51 0.00 0.00 177.10 174.86 1by5 s THR 274 N -1.79 0.01 -0.13 1.60 -1.32 -0.42 -4.98 115.64 108.61 1by5 s THR 274 Ca 0.74 -0.08 -0.04 0.00 -1.21 0.00 0.00 61.69 61.10 1by5 s THR 274 Cb -0.27 -0.70 0.07 0.00 -1.51 0.00 0.00 72.50 70.09 1by5 s THR 274 CO 0.34 -0.04 0.25 -0.47 -2.21 0.00 0.00 174.62 172.48 1by5 s TYR 275 N -0.15 -0.39 0.15 9.09 6.14 -1.26 -0.31 117.35 130.62 1by5 s TYR 275 Ca -0.03 0.86 0.04 0.00 0.64 0.00 0.00 57.07 58.57 1by5 s TYR 275 Cb -0.03 -0.09 -0.04 0.00 0.42 0.00 0.00 41.96 42.21 1by5 s TYR 275 CO 0.02 -0.38 -0.08 -1.54 0.64 0.00 0.00 175.55 174.22 1by5 s SER 276 N 2.40 1.60 -0.03 4.32 1.04 0.13 -0.83 113.70 122.34 1by5 s SER 276 Ca 0.02 -1.05 -0.13 0.00 0.48 0.00 0.00 55.95 55.28 1by5 s SER 276 Cb -0.12 0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.04 1by5 s SER 276 CO -0.09 -0.40 0.28 -0.60 0.98 0.00 0.00 173.24 173.41 1by5 s ARG 277 N -3.79 0.58 -0.02 4.02 3.52 -0.55 -1.61 118.95 121.10 1by5 s ARG 277 Ca 0.17 -0.13 0.01 0.00 -0.13 0.00 0.00 55.73 55.65 1by5 s ARG 277 Cb 0.04 0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.71 1by5 s ARG 277 CO 0.00 -0.15 -0.00 1.21 -0.81 0.00 0.00 175.30 175.55 1by5 s ASN 278 N -1.09 0.39 -0.07 -2.12 3.84 0.68 -0.75 114.94 115.82 1by5 s ASN 278 Ca -0.12 -0.03 0.02 0.00 0.21 0.00 0.00 52.86 52.94 1by5 s ASN 278 Cb -0.05 -0.19 0.02 0.00 -0.55 0.00 0.00 41.25 40.48 1by5 s ASN 278 CO 0.03 -0.07 -0.10 -1.61 -2.79 0.00 0.00 177.10 172.56 1by5 s GLU 279 N 0.81 1.50 -0.09 0.43 2.02 0.10 -0.81 118.70 122.66 1by5 s GLU 279 Ca -0.08 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1by5 s GLU 279 Cb -0.11 -1.32 0.02 0.00 0.10 0.00 0.00 34.13 32.82 1by5 s GLU 279 CO -0.01 -0.04 -0.09 0.15 0.02 0.00 0.00 175.26 175.29 1by5 s LYS 280 N 0.87 1.51 -0.01 1.61 1.02 -0.97 -0.59 119.74 123.19 1by5 s LYS 280 Ca -0.11 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1by5 s LYS 280 Cb -0.15 -1.47 0.01 0.00 -0.52 0.00 0.00 37.83 35.70 1by5 s LYS 280 CO 0.01 -0.17 0.01 -1.64 -0.92 0.00 0.00 175.35 172.65 1by5 s MET 281 N 1.34 0.02 0.03 1.68 -1.94 0.13 -1.53 119.30 119.04 1by5 s MET 281 Ca -0.02 0.07 0.02 0.00 -1.71 0.00 0.00 55.69 54.05 1by5 s MET 281 Cb -0.14 -0.14 -0.02 0.00 2.01 0.00 0.00 34.83 36.55 1by5 s MET 281 CO -0.04 -0.07 -0.07 0.14 -0.01 0.00 0.00 175.02 174.97 1by5 s VAL 282 N 0.46 0.51 -1.52 -6.03 -7.23 -0.85 -1.18 120.40 104.56 1by5 s VAL 282 Ca -0.04 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 1by5 s VAL 282 Cb -0.06 -0.55 0.00 0.00 0.56 0.00 0.00 36.38 36.33 1by5 s VAL 282 CO -0.01 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 1by5 n GLY 283 N 1.78 -1.38 3.67 2.32 0.00 0.00 -0.47 105.19 111.11 1by5 n GLY 283 Ca -0.21 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 1by5 n GLY 283 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1by5 s TYR 284 N -2.73 0.33 -0.05 1.61 -0.85 0.15 -0.39 117.35 115.42 1by5 s TYR 284 Ca 0.00 -0.75 -0.00 0.00 -0.52 0.00 0.00 57.07 55.80 1by5 s TYR 284 Cb 0.00 0.37 0.02 0.00 0.38 0.00 0.00 41.96 42.74 1by5 s TYR 284 CO 0.00 -1.19 -0.02 0.45 -1.52 0.00 0.00 175.55 173.27 1by5 s SER 285 N -3.05 1.17 -0.01 -0.18 0.15 -0.12 -1.85 113.70 109.81 1by5 s SER 285 Ca 0.20 -0.10 0.03 0.00 0.70 0.00 0.00 55.95 56.78 1by5 s SER 285 Cb -0.03 -0.43 -0.00 0.00 -1.71 0.00 0.00 66.02 63.85 1by5 s SER 285 CO 0.11 -0.12 -0.09 0.12 1.20 0.00 0.00 173.24 174.46 1by5 s PHE 286 N 1.37 0.89 -0.00 3.44 5.36 0.92 -0.82 117.98 129.14 1by5 s PHE 286 Ca -0.04 -0.18 -0.09 0.00 -0.96 0.00 0.00 56.93 55.66 1by5 s PHE 286 Cb -0.13 -0.59 0.01 0.00 -0.34 0.00 0.00 43.02 41.96 1by5 s PHE 286 CO -0.02 -0.04 0.18 0.16 -1.46 0.00 0.00 175.22 174.03 1by5 s ASP 287 N -0.11 -0.03 -0.16 6.13 1.47 -0.77 0.89 116.67 124.09 1by5 s ASP 287 Ca 0.02 -0.12 -0.08 0.00 1.18 0.00 0.00 52.55 53.55 1by5 s ASP 287 Cb -0.05 0.24 0.06 0.00 -0.34 0.00 0.00 42.92 42.83 1by5 s ASP 287 CO -0.00 -0.37 0.38 -2.28 0.68 0.00 0.00 175.17 173.58 1by5 s HIS 288 N -1.30 -0.58 -0.26 2.11 2.46 0.15 -1.68 115.29 116.19 1by5 s HIS 288 Ca -0.14 1.24 -0.11 0.00 0.47 0.00 0.00 55.06 56.52 1by5 s HIS 288 Cb -0.07 0.23 -0.05 0.00 -0.13 0.00 0.00 32.58 32.56 1by5 s HIS 288 CO 0.02 -0.35 0.18 -2.00 -2.47 0.00 0.00 174.74 170.12 1by5 s GLU 289 N 1.61 3.99 -0.02 2.88 2.12 0.04 -0.44 118.70 128.88 1by5 s GLU 289 Ca -0.08 -0.30 -0.18 0.00 0.36 0.00 0.00 54.97 54.77 1by5 s GLU 289 Cb -0.09 -3.61 -0.33 0.00 0.26 0.00 0.00 34.13 30.35 1by5 s GLU 289 CO -0.12 -0.09 0.89 0.74 -0.54 0.00 0.00 175.26 176.14 1by5 h PHE 290 N 8.05 0.75 -1.89 5.30 -1.00 -1.33 -3.46 116.94 123.35 1by5 h PHE 290 Ca -0.36 -0.54 0.04 0.00 2.81 0.00 0.00 57.97 59.92 1by5 h PHE 290 Cb 1.18 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.71 1by5 h PHE 290 CO 0.73 1.48 0.16 0.27 -1.61 0.00 0.00 178.31 179.34 1by5 n ASN 291 N -3.89 -0.51 0.00 2.17 0.23 -1.21 -4.99 115.26 107.06 1by5 n ASN 291 Ca -0.17 -1.28 0.03 0.00 -0.53 0.00 0.00 54.58 52.63 1by5 n ASN 291 Cb 0.98 0.84 0.18 0.00 -2.08 0.00 0.00 39.78 39.69 1by5 n ASN 291 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1by5 n ASP 292 N -0.81 0.00 -0.12 0.53 8.00 -1.26 -3.13 116.55 119.75 1by5 n ASP 292 Ca -0.01 0.16 -0.22 0.00 0.71 0.00 0.00 54.79 55.44 1by5 n ASP 292 Cb 0.17 -0.27 -0.10 0.00 -0.02 0.00 0.00 41.12 40.90 1by5 n ASP 292 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1by5 n THR 293 N -1.27 1.36 -4.89 -3.53 -1.04 -1.26 -4.58 114.28 99.08 1by5 n THR 293 Ca 0.03 -0.43 -0.30 0.00 -2.04 0.00 0.00 64.05 61.31 1by5 n THR 293 Cb 0.05 -1.59 -0.14 0.00 -1.82 0.00 0.00 70.33 66.83 1by5 n THR 293 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1by5 s PHE 294 N -2.46 2.40 -0.04 -1.42 0.08 -1.18 -0.62 117.98 114.73 1by5 s PHE 294 Ca -0.33 -0.36 -0.03 0.00 0.12 0.00 0.00 56.93 56.33 1by5 s PHE 294 Cb 0.11 -1.43 0.02 0.00 -0.57 0.00 0.00 43.02 41.15 1by5 s PHE 294 CO 0.49 0.14 0.10 0.99 -0.10 0.00 0.00 175.22 176.85 1by5 s THR 295 N -0.81 -0.03 -0.02 0.64 2.01 -0.53 -0.88 115.64 116.02 1by5 s THR 295 Ca 0.12 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.24 1by5 s THR 295 Cb -0.10 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.21 1by5 s THR 295 CO 0.02 0.04 -0.04 0.54 -0.69 0.00 0.00 174.62 174.50 1by5 s VAL 296 N 0.65 3.88 -0.05 3.82 0.11 0.42 -0.58 120.40 128.65 1by5 s VAL 296 Ca -0.05 -0.62 -0.04 0.00 -2.93 0.00 0.00 61.98 58.34 1by5 s VAL 296 Cb -0.07 -2.68 0.02 0.00 -1.53 0.00 0.00 36.38 32.12 1by5 s VAL 296 CO -0.03 0.44 0.12 -0.60 -3.33 0.00 0.00 175.10 171.71 1by5 s ARG 297 N -1.32 0.12 -0.08 1.54 3.52 -0.06 -0.67 118.95 122.00 1by5 s ARG 297 Ca 0.17 0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.95 1by5 s ARG 297 Cb -0.11 -0.01 0.04 0.00 -1.56 0.00 0.00 34.95 33.31 1by5 s ARG 297 CO 0.07 -0.06 0.19 -1.14 -0.81 0.00 0.00 175.30 173.55 1by5 s GLN 298 N 0.38 0.14 -0.07 5.12 0.74 0.26 0.49 119.66 126.72 1by5 s GLN 298 Ca -0.03 0.44 0.05 0.00 0.05 0.00 0.00 55.36 55.87 1by5 s GLN 298 Cb -0.04 -0.15 -0.00 0.00 1.10 0.00 0.00 33.01 33.92 1by5 s GLN 298 CO -0.02 -0.16 -0.22 -0.80 -0.55 0.00 0.00 175.29 173.54 1by5 s ASN 299 N 1.17 2.82 -0.01 6.67 0.01 -0.19 -0.05 114.94 125.35 1by5 s ASN 299 Ca -0.09 -0.48 -0.08 0.00 -0.71 0.00 0.00 52.86 51.50 1by5 s ASN 299 Cb -0.11 -0.99 0.01 0.00 0.41 0.00 0.00 41.25 40.57 1by5 s ASN 299 CO -0.07 0.18 0.16 -1.48 -1.51 0.00 0.00 177.10 174.39 1by5 s LEU 300 N 0.10 1.45 -0.07 0.60 0.05 -0.77 -0.74 118.68 119.29 1by5 s LEU 300 Ca -0.10 -0.09 -0.19 0.00 0.05 0.00 0.00 54.13 53.81 1by5 s LEU 300 Cb -0.15 0.73 0.04 0.00 -2.05 0.00 0.00 46.19 44.76 1by5 s LEU 300 CO 0.05 -0.33 0.44 -0.60 -0.55 0.00 0.00 176.35 175.36 1by5 s ARG 301 N -1.15 0.71 -0.10 1.48 3.52 -0.56 -0.67 118.95 122.19 1by5 s ARG 301 Ca -0.12 0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.67 1by5 s ARG 301 Cb -0.06 0.33 0.01 0.00 -1.56 0.00 0.00 34.95 33.67 1by5 s ARG 301 CO 0.02 -0.18 -0.14 0.12 -0.81 0.00 0.00 175.30 174.30 1by5 s PHE 302 N -0.80 1.86 0.00 5.12 5.36 0.38 -0.90 117.98 129.01 1by5 s PHE 302 Ca -0.09 -0.84 0.05 0.00 -0.96 0.00 0.00 56.93 55.09 1by5 s PHE 302 Cb -0.03 -1.35 -0.01 0.00 -0.34 0.00 0.00 43.02 41.28 1by5 s PHE 302 CO 0.04 -0.44 -0.16 0.00 -1.46 0.00 0.00 175.22 173.21 1by5 s ALA 303 N 0.94 1.29 -0.26 11.12 0.00 0.11 -2.01 121.76 132.95 1by5 s ALA 303 Ca -0.08 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 1by5 s ALA 303 Cb -0.15 -0.30 0.08 0.00 0.00 0.00 0.00 23.12 22.75 1by5 s ALA 303 CO -0.00 0.30 0.04 -2.00 0.00 0.00 0.00 175.76 174.10 1by5 s GLU 304 N -0.58 0.99 0.09 0.00 2.12 -0.58 0.17 118.70 120.90 1by5 s GLU 304 Ca 0.05 -0.95 0.08 0.00 0.36 0.00 0.00 54.97 54.51 1by5 s GLU 304 Cb -0.06 -2.27 -0.04 0.00 0.26 0.00 0.00 34.13 32.02 1by5 s GLU 304 CO -0.00 -0.80 -0.16 -0.80 -0.54 0.00 0.00 175.26 172.96 1by5 s ASN 305 N 1.56 3.99 0.03 -1.70 0.01 -0.27 -2.28 114.94 116.29 1by5 s ASN 305 Ca 0.03 -0.47 0.02 0.00 -0.71 0.00 0.00 52.86 51.73 1by5 s ASN 305 Cb -0.18 -0.64 -0.02 0.00 0.41 0.00 0.00 41.25 40.82 1by5 s ASN 305 CO -0.15 0.21 -0.07 -0.54 -1.51 0.00 0.00 177.10 175.04 1by5 s LYS 306 N -1.91 0.49 -0.11 -0.60 1.02 0.01 -0.53 119.74 118.11 1by5 s LYS 306 Ca 0.18 -0.66 -0.13 0.00 0.02 0.00 0.00 55.97 55.37 1by5 s LYS 306 Cb -0.11 -0.28 0.03 0.00 -0.52 0.00 0.00 37.83 36.96 1by5 s LYS 306 CO 0.09 0.05 0.35 -0.08 -0.92 0.00 0.00 175.35 174.85 1by5 s THR 307 N -1.20 0.01 0.01 2.17 -1.32 -1.07 -0.23 115.64 114.02 1by5 s THR 307 Ca -0.09 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.32 1by5 s THR 307 Cb -0.09 -0.53 -0.01 0.00 -1.51 0.00 0.00 72.50 70.36 1by5 s THR 307 CO 0.00 -0.04 -0.03 -0.44 -2.21 0.00 0.00 174.62 171.90 1by5 s SER 308 N -0.07 0.22 0.00 8.08 0.01 -0.63 -0.87 113.70 120.43 1by5 s SER 308 Ca -0.02 -0.34 -0.24 0.00 1.31 0.00 0.00 55.95 56.65 1by5 s SER 308 Cb -0.03 0.06 0.05 0.00 0.21 0.00 0.00 66.02 66.31 1by5 s SER 308 CO 0.01 -0.19 0.54 0.00 0.41 0.00 0.00 173.24 174.01 1by5 s GLN 309 N -0.99 0.99 -0.31 12.44 -2.07 -0.91 0.19 119.66 129.00 1by5 s GLN 309 Ca -0.10 -0.05 -0.00 0.00 -1.82 0.00 0.00 55.36 53.38 1by5 s GLN 309 Cb -0.07 0.45 0.10 0.00 -1.09 0.00 0.00 33.01 32.40 1by5 s GLN 309 CO -0.01 -0.33 0.09 -0.80 -1.32 0.00 0.00 175.29 172.92 1by5 s ASN 310 N -1.60 4.08 -0.11 12.60 0.02 0.58 -1.44 114.94 129.07 1by5 s ASN 310 Ca -0.09 -1.66 -0.01 0.00 -1.02 0.00 0.00 52.86 50.09 1by5 s ASN 310 Cb -0.01 -0.96 0.03 0.00 0.02 0.00 0.00 41.25 40.33 1by5 s ASN 310 CO 0.03 -0.40 -0.05 -0.44 0.02 0.00 0.00 177.10 176.26 1by5 s SER 311 N 1.53 2.14 -0.16 -1.22 0.01 -0.45 -1.29 113.70 114.26 1by5 s SER 311 Ca 0.09 -0.32 -0.17 0.00 1.31 0.00 0.00 55.95 56.87 1by5 s SER 311 Cb -0.17 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 1by5 s SER 311 CO -0.22 -0.16 0.42 -0.69 0.41 0.00 0.00 173.24 173.00 1by5 s VAL 312 N 1.78 5.21 0.13 3.43 1.01 -1.26 -1.51 120.40 129.19 1by5 s VAL 312 Ca 0.04 0.80 0.05 0.00 0.00 0.00 0.00 61.98 62.87 1by5 s VAL 312 Cb -0.13 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1by5 s VAL 312 CO -0.07 0.30 -0.11 -0.72 0.00 0.00 0.00 175.10 174.50 1by5 s TYR 313 N 0.90 1.26 0.78 5.22 1.13 -0.11 -4.15 117.35 122.38 1by5 s TYR 313 Ca 0.22 -0.69 -0.12 0.00 -1.41 0.00 0.00 57.07 55.07 1by5 s TYR 313 Cb -0.15 -0.65 0.06 0.00 -1.10 0.00 0.00 41.96 40.12 1by5 s TYR 313 CO 0.08 0.09 1.11 0.20 -2.51 0.00 0.00 175.55 174.51 1by5 s GLY 314 N -2.88 1.62 -0.01 5.49 0.00 -1.25 -1.40 107.32 108.89 1by5 s GLY 314 Ca 0.13 -0.31 0.12 0.00 0.00 0.00 0.00 44.72 44.66 1by5 s GLY 314 CO 0.01 0.12 1.08 2.98 0.00 0.00 0.00 173.10 177.29 1by5 n TYR 315 N -3.32 0.00 0.00 1.90 9.36 0.19 -4.55 117.16 120.75 1by5 n TYR 315 Ca 0.07 -0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.02 1by5 n TYR 315 Cb 0.57 -0.10 0.00 0.00 -0.63 0.00 0.00 39.34 39.18 1by5 n TYR 315 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1by5 n GLY 316 N 0.15 0.07 3.69 2.98 0.00 -1.24 -4.78 105.19 106.06 1by5 n GLY 316 Ca 0.03 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 1by5 n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1by5 s VAL 317 N -2.74 2.54 0.40 1.61 -7.23 -1.26 -0.24 120.40 113.48 1by5 s VAL 317 Ca 0.00 0.18 0.30 0.00 -1.81 0.00 0.00 61.98 60.65 1by5 s VAL 317 Cb 0.00 -2.42 0.33 0.00 0.56 0.00 0.00 36.38 34.85 1by5 s VAL 317 CO 0.00 -0.23 2.10 0.00 -0.31 0.00 0.00 175.10 176.66 1by5 n SER 319 N -3.50 0.18 -4.73 0.00 3.41 -0.86 -4.77 113.62 103.35 1by5 n SER 319 Ca -0.02 -0.16 -0.41 0.00 -0.26 0.00 0.00 58.87 58.02 1by5 n SER 319 Cb 0.23 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1by5 n SER 319 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1by5 s ASP 320 N -2.65 7.22 0.44 4.04 -1.08 -0.84 -4.92 116.67 118.88 1by5 s ASP 320 Ca 0.25 2.00 0.28 0.00 -0.52 0.00 0.00 52.55 54.56 1by5 s ASP 320 Cb 0.20 -2.59 1.36 0.00 -1.46 0.00 0.00 42.92 40.43 1by5 s ASP 320 CO 0.50 -0.30 1.68 -0.65 0.52 0.00 0.00 175.17 176.91 1by5 h PRO 321 N 5.90 0.16 -0.38 4.34 0.11 -1.88 0.21 132.00 140.45 1by5 h PRO 321 Ca -0.43 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.78 1by5 h PRO 321 Cb 1.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1by5 h PRO 321 CO 0.76 0.11 0.31 0.00 -0.21 0.00 0.00 178.00 178.96 1by5 h ALA 322 N 1.55 2.24 -0.78 -0.75 0.00 -1.92 -1.16 119.26 118.44 1by5 h ALA 322 Ca 0.73 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 55.15 1by5 h ALA 322 Cb 2.29 0.03 -0.26 0.00 0.00 0.00 0.00 17.79 19.85 1by5 h ALA 322 CO -0.32 -0.51 0.31 0.09 0.00 0.00 0.00 179.25 178.83 1by5 n ASN 323 N -4.17 4.69 -0.12 0.00 4.13 0.74 -4.80 115.26 115.73 1by5 n ASN 323 Ca 0.06 -3.74 -0.09 0.00 1.68 0.00 0.00 54.58 52.50 1by5 n ASN 323 Cb 0.49 -0.76 -0.07 0.00 -1.54 0.00 0.00 39.78 37.91 1by5 n ASN 323 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1by5 h ALA 324 N 1.45 -0.58 -2.75 5.41 0.00 -1.32 -3.20 119.26 118.27 1by5 h ALA 324 Ca 0.48 0.01 -0.70 0.00 0.00 0.00 0.00 54.91 54.70 1by5 h ALA 324 Cb 1.75 1.03 -0.36 0.00 0.00 0.00 0.00 17.79 20.22 1by5 h ALA 324 CO 1.00 -0.78 -0.08 0.98 0.00 0.00 0.00 179.25 180.37 1by5 n TYR 325 N -4.48 4.06 -3.91 0.00 9.36 -1.26 -4.93 117.16 116.00 1by5 n TYR 325 Ca -0.02 -4.05 -0.35 0.00 3.32 0.00 0.00 57.90 56.80 1by5 n TYR 325 Cb 0.22 -1.09 -0.14 0.00 -0.63 0.00 0.00 39.34 37.70 1by5 n TYR 325 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1by5 s SER 326 N -0.45 4.80 0.57 2.98 0.15 -1.21 -4.98 113.70 115.56 1by5 s SER 326 Ca 0.29 -1.16 0.28 0.00 0.70 0.00 0.00 55.95 56.05 1by5 s SER 326 Cb -0.05 -1.71 1.49 0.00 -1.71 0.00 0.00 66.02 64.04 1by5 s SER 326 CO -0.11 -0.23 1.96 0.11 1.20 0.00 0.00 173.24 176.17 1by5 h LYS 327 N 8.02 0.00 0.17 5.44 1.57 -1.93 -0.24 116.57 129.60 1by5 h LYS 327 Ca -0.24 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.24 1by5 h LYS 327 Cb 1.07 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.41 1by5 h LYS 327 CO 0.55 0.00 -1.32 1.96 -0.57 0.00 0.00 179.45 180.07 1by5 h GLN 328 N 0.00 0.50 -0.03 3.15 4.20 -1.95 -3.09 115.11 117.90 1by5 h GLN 328 Ca 0.22 -0.77 -0.15 0.00 0.06 0.00 0.00 58.65 58.01 1by5 h GLN 328 Cb 1.05 0.27 -0.02 0.00 0.30 0.00 0.00 27.48 29.09 1by5 h GLN 328 CO -0.00 1.35 -0.67 0.00 -0.67 0.00 0.00 178.83 178.84 1by5 h ALA 330 N 1.22 0.88 0.00 0.00 0.00 -1.17 -3.05 119.26 117.14 1by5 h ALA 330 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1by5 h ALA 330 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1by5 h ALA 330 CO 0.10 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.98 1by5 n ALA 331 N -2.50 3.31 -2.68 0.00 0.00 -1.17 -4.77 120.51 112.70 1by5 n ALA 331 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 1by5 n ALA 331 Cb 0.41 -1.10 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 1by5 n ALA 331 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1by5 s LEU 332 N 0.00 2.11 0.17 0.00 1.43 -1.16 -5.05 118.68 116.18 1by5 s LEU 332 Ca 0.00 -0.33 -0.33 0.00 -1.03 0.00 0.00 54.13 52.44 1by5 s LEU 332 Cb 0.00 -0.50 -0.13 0.00 0.03 0.00 0.00 46.19 45.59 1by5 s LEU 332 CO 0.00 0.04 1.64 0.00 0.23 0.00 0.00 176.35 178.27 1by5 n ALA 333 N 2.30 1.84 -0.42 4.21 0.00 -1.26 -4.80 120.51 122.37 1by5 n ALA 333 Ca -0.16 0.42 0.38 0.00 0.00 0.00 0.00 53.44 54.07 1by5 n ALA 333 Cb 0.56 -2.42 0.72 0.00 0.00 0.00 0.00 19.45 18.30 1by5 n ALA 333 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1by5 h PRO 334 N 6.41 0.07 0.00 0.00 0.11 -1.94 0.99 132.00 137.64 1by5 h PRO 334 Ca -0.45 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 1by5 h PRO 334 Cb 1.24 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1by5 h PRO 334 CO 0.91 0.05 -0.42 0.00 -0.21 0.00 0.00 178.00 178.33 1by5 h ALA 335 N 1.38 1.12 0.00 -0.75 0.00 -2.03 -3.03 119.26 115.96 1by5 h ALA 335 Ca 0.69 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1by5 h ALA 335 Cb 2.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.24 1by5 h ALA 335 CO -0.11 0.52 -0.12 -0.25 0.00 0.00 0.00 179.25 179.29 1by5 n ASP 336 N -3.77 0.72 0.06 0.00 8.00 0.34 -3.87 116.55 118.02 1by5 n ASP 336 Ca -0.01 0.47 0.07 0.00 0.71 0.00 0.00 54.79 56.04 1by5 n ASP 336 Cb 0.49 -0.58 0.33 0.00 -0.02 0.00 0.00 41.12 41.34 1by5 n ASP 336 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1by5 n LYS 337 N -2.15 0.07 0.02 -1.24 5.02 -1.11 -2.98 118.16 115.79 1by5 n LYS 337 Ca 0.05 0.40 0.13 0.00 -2.02 0.00 0.00 58.31 56.87 1by5 n LYS 337 Cb 0.42 -1.66 0.33 0.00 -0.02 0.00 0.00 35.03 34.10 1by5 n LYS 337 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1by5 n GLY 338 N -0.48 -1.36 0.07 0.72 0.00 -1.25 -2.03 105.19 100.85 1by5 n GLY 338 Ca 0.02 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.80 1by5 n GLY 338 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1by5 n HIS 339 N -1.66 0.00 -4.16 1.61 1.44 -1.16 -4.57 115.22 106.72 1by5 n HIS 339 Ca 0.05 -0.38 -0.34 0.00 -2.01 0.00 0.00 57.72 55.04 1by5 n HIS 339 Cb 0.36 -0.05 -0.12 0.00 0.12 0.00 0.00 29.99 30.30 1by5 n HIS 339 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1by5 s TYR 340 N -0.90 3.09 -0.22 -1.40 1.51 -1.23 -0.55 117.35 117.65 1by5 s TYR 340 Ca 0.05 -0.26 -0.08 0.00 -1.01 0.00 0.00 57.07 55.77 1by5 s TYR 340 Cb 0.05 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 1by5 s TYR 340 CO 0.00 -0.07 0.09 -1.17 -1.11 0.00 0.00 175.55 173.29 1by5 s LEU 341 N 0.65 3.75 0.46 -1.29 1.98 -0.15 -0.75 118.68 123.33 1by5 s LEU 341 Ca 0.00 -0.02 -0.20 0.00 -2.89 0.00 0.00 54.13 51.02 1by5 s LEU 341 Cb -0.14 -1.99 -0.10 0.00 0.66 0.00 0.00 46.19 44.62 1by5 s LEU 341 CO 0.02 0.06 0.97 0.00 -1.89 0.00 0.00 176.35 175.51 1by5 s ALA 342 N 1.03 3.03 0.08 5.97 0.00 0.66 -1.44 121.76 131.09 1by5 s ALA 342 Ca 0.05 0.37 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 1by5 s ALA 342 Cb -0.14 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1by5 s ALA 342 CO 0.03 -0.01 0.06 1.03 0.00 0.00 0.00 175.76 176.88 1by5 s ARG 343 N -3.40 0.74 0.32 0.00 0.52 -1.26 0.56 118.95 116.43 1by5 s ARG 343 Ca 0.62 -1.17 0.05 0.00 -0.52 0.00 0.00 55.73 54.71 1by5 s ARG 343 Cb -0.10 0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.60 1by5 s ARG 343 CO 0.18 -0.19 0.30 0.15 0.02 0.00 0.00 175.30 175.76 1by5 s LYS 344 N -3.92 1.72 0.10 3.54 1.02 -0.49 -4.11 119.74 117.59 1by5 s LYS 344 Ca 0.09 -1.93 -0.03 0.00 0.02 0.00 0.00 55.97 54.12 1by5 s LYS 344 Cb 0.07 0.34 -0.03 0.00 -0.52 0.00 0.00 37.83 37.69 1by5 s LYS 344 CO -0.08 -0.65 0.07 1.52 -0.92 0.00 0.00 175.35 175.29 1by5 s TYR 345 N -3.46 0.57 -0.09 3.18 1.13 -1.26 -0.93 117.35 116.48 1by5 s TYR 345 Ca 0.39 -1.02 -0.05 0.00 -1.41 0.00 0.00 57.07 54.98 1by5 s TYR 345 Cb 0.02 -0.33 0.04 0.00 -1.10 0.00 0.00 41.96 40.59 1by5 s TYR 345 CO 0.25 -0.49 0.22 0.54 -2.51 0.00 0.00 175.55 173.56 1by5 s VAL 346 N -3.96 -0.04 -0.27 -3.49 0.11 -0.57 -0.58 120.40 111.60 1by5 s VAL 346 Ca 0.14 0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 59.31 1by5 s VAL 346 Cb 0.07 -0.35 0.04 0.00 -1.53 0.00 0.00 36.38 34.62 1by5 s VAL 346 CO -0.05 0.05 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.04 1by5 s VAL 347 N 1.08 2.78 0.21 2.04 1.01 0.05 -1.35 120.40 126.21 1by5 s VAL 347 Ca -0.08 -1.32 0.11 0.00 0.00 0.00 0.00 61.98 60.69 1by5 s VAL 347 Cb -0.09 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1by5 s VAL 347 CO -0.07 0.01 -0.21 -0.62 0.00 0.00 0.00 175.10 174.22 1by5 s ASP 348 N 1.25 3.60 -0.29 3.32 2.15 -0.52 -0.44 116.67 125.73 1by5 s ASP 348 Ca -0.04 -0.85 0.03 0.00 0.43 0.00 0.00 52.55 52.12 1by5 s ASP 348 Cb -0.19 -0.34 0.20 0.00 -0.30 0.00 0.00 42.92 42.29 1by5 s ASP 348 CO -0.03 0.10 0.62 -0.62 -0.17 0.00 0.00 175.17 175.07 1by5 s ASP 349 N -2.84 -1.50 0.25 -0.34 -1.08 -1.14 -2.13 116.67 107.89 1by5 s ASP 349 Ca 0.23 0.42 0.11 0.00 -0.52 0.00 0.00 52.55 52.79 1by5 s ASP 349 Cb -0.08 2.05 -0.05 0.00 -1.46 0.00 0.00 42.92 43.39 1by5 s ASP 349 CO 0.12 -0.28 -0.20 -1.61 0.52 0.00 0.00 175.17 173.72 1by5 s GLU 350 N 2.85 1.61 -0.06 4.34 2.02 -0.05 -2.00 118.70 127.40 1by5 s GLU 350 Ca 0.14 -1.69 -0.02 0.00 0.02 0.00 0.00 54.97 53.41 1by5 s GLU 350 Cb -0.11 -1.73 0.04 0.00 0.10 0.00 0.00 34.13 32.42 1by5 s GLU 350 CO -0.24 0.33 0.11 0.21 0.02 0.00 0.00 175.26 175.69 1by5 s LYS 351 N -3.32 0.02 0.02 1.61 2.20 -0.79 -2.61 119.74 116.87 1by5 s LYS 351 Ca 0.27 0.38 0.04 0.00 -0.36 0.00 0.00 55.97 56.30 1by5 s LYS 351 Cb -0.05 -0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 35.97 1by5 s LYS 351 CO 0.13 -0.23 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.61 1by5 s LEU 352 N 1.61 2.13 -0.05 5.43 0.20 0.31 -0.24 118.68 128.07 1by5 s LEU 352 Ca -0.04 -0.36 0.04 0.00 0.69 0.00 0.00 54.13 54.46 1by5 s LEU 352 Cb -0.12 -0.50 -0.00 0.00 -0.43 0.00 0.00 46.19 45.14 1by5 s LEU 352 CO -0.05 0.03 -0.17 -1.10 -0.29 0.00 0.00 176.35 174.77 1by5 s GLN 353 N -0.86 1.82 -0.04 1.98 -0.21 -0.50 -1.11 119.66 120.73 1by5 s GLN 353 Ca 0.01 -0.61 0.01 0.00 0.02 0.00 0.00 55.36 54.79 1by5 s GLN 353 Cb -0.07 -1.57 0.02 0.00 1.00 0.00 0.00 33.01 32.40 1by5 s GLN 353 CO 0.01 0.23 -0.05 1.21 -2.12 0.00 0.00 175.29 174.57 1by5 s ASN 354 N 0.08 0.92 -0.10 5.90 3.04 0.13 -1.90 114.94 123.01 1by5 s ASN 354 Ca -0.05 -0.13 0.02 0.00 0.04 0.00 0.00 52.86 52.74 1by5 s ASN 354 Cb -0.12 -0.43 0.02 0.00 -1.54 0.00 0.00 41.25 39.17 1by5 s ASN 354 CO 0.02 -0.04 -0.14 0.12 -3.04 0.00 0.00 177.10 174.02 1by5 s PHE 355 N 0.82 1.87 0.02 0.43 5.36 -0.15 0.06 117.98 126.39 1by5 s PHE 355 Ca -0.11 -0.86 0.01 0.00 -0.96 0.00 0.00 56.93 55.01 1by5 s PHE 355 Cb -0.14 -1.36 -0.01 0.00 -0.34 0.00 0.00 43.02 41.16 1by5 s PHE 355 CO 0.00 -0.45 -0.05 -1.12 -1.46 0.00 0.00 175.22 172.13 1by5 s SER 356 N 1.00 0.60 -0.15 6.13 0.01 -0.08 -0.73 113.70 120.49 1by5 s SER 356 Ca -0.07 -0.34 -0.07 0.00 1.31 0.00 0.00 55.95 56.78 1by5 s SER 356 Cb -0.15 0.01 0.06 0.00 0.21 0.00 0.00 66.02 66.15 1by5 s SER 356 CO -0.01 -0.11 0.34 -0.69 0.41 0.00 0.00 173.24 173.17 1by5 s VAL 357 N -0.85 -0.12 -0.12 3.43 1.01 -0.75 -1.50 120.40 121.50 1by5 s VAL 357 Ca -0.06 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 1by5 s VAL 357 Cb -0.06 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1by5 s VAL 357 CO -0.00 0.06 -0.10 -0.62 0.00 0.00 0.00 175.10 174.44 1by5 s ASP 358 N 1.55 2.34 -0.15 3.32 2.15 0.08 -1.78 116.67 124.18 1by5 s ASP 358 Ca -0.08 -0.37 0.02 0.00 0.43 0.00 0.00 52.55 52.55 1by5 s ASP 358 Cb -0.10 -0.96 0.01 0.00 -0.30 0.00 0.00 42.92 41.57 1by5 s ASP 358 CO -0.11 -0.09 -0.20 -0.89 -0.17 0.00 0.00 175.17 173.71 1by5 s THR 359 N 1.59 2.20 0.12 1.71 2.01 -0.67 -1.02 115.64 121.58 1by5 s THR 359 Ca 0.04 -0.92 0.10 0.00 0.31 0.00 0.00 61.69 61.22 1by5 s THR 359 Cb -0.13 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1by5 s THR 359 CO -0.09 0.54 -0.25 -1.10 -0.69 0.00 0.00 174.62 173.03 1by5 s GLN 360 N 0.95 1.35 -0.13 4.92 -0.21 0.18 -1.98 119.66 124.74 1by5 s GLN 360 Ca -0.03 -1.28 0.01 0.00 0.02 0.00 0.00 55.36 54.08 1by5 s GLN 360 Cb -0.15 -1.76 0.02 0.00 1.00 0.00 0.00 33.01 32.12 1by5 s GLN 360 CO -0.04 0.42 -0.15 -1.17 -2.12 0.00 0.00 175.29 172.23 1by5 s LEU 361 N -1.96 1.69 -0.18 2.90 0.20 -0.46 -0.88 118.68 120.00 1by5 s LEU 361 Ca 0.12 -0.46 -0.02 0.00 0.69 0.00 0.00 54.13 54.46 1by5 s LEU 361 Cb -0.10 -1.13 -0.01 0.00 -0.43 0.00 0.00 46.19 44.52 1by5 s LEU 361 CO 0.05 -0.03 -0.10 -1.58 -0.29 0.00 0.00 176.35 174.41 1by5 s GLN 362 N 1.27 3.32 -0.10 1.98 0.74 0.25 -2.10 119.66 125.02 1by5 s GLN 362 Ca -0.00 -0.68 0.03 0.00 0.05 0.00 0.00 55.36 54.76 1by5 s GLN 362 Cb -0.14 -2.80 -0.01 0.00 1.10 0.00 0.00 33.01 31.17 1by5 s GLN 362 CO -0.07 -0.05 -0.21 -1.12 -0.55 0.00 0.00 175.29 173.30 1by5 s SER 363 N 1.03 3.36 -0.19 6.67 0.01 0.20 -1.45 113.70 123.32 1by5 s SER 363 Ca -0.01 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 56.76 1by5 s SER 363 Cb -0.15 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.67 1by5 s SER 363 CO -0.02 0.17 -0.12 -0.54 0.41 0.00 0.00 173.24 173.15 1by5 s LYS 364 N 0.29 3.22 0.10 12.44 1.02 0.21 -0.17 119.74 136.84 1by5 s LYS 364 Ca -0.15 -0.72 -0.22 0.00 0.02 0.00 0.00 55.97 54.90 1by5 s LYS 364 Cb -0.17 -2.77 0.06 0.00 -0.52 0.00 0.00 37.83 34.43 1by5 s LYS 364 CO 0.08 -0.14 0.54 -0.59 -0.92 0.00 0.00 175.35 174.31 1by5 s PHE 365 N 1.23 -0.44 0.09 3.18 -0.71 -1.10 -4.49 117.98 115.75 1by5 s PHE 365 Ca 0.03 0.36 0.07 0.00 -1.04 0.00 0.00 56.93 56.34 1by5 s PHE 365 Cb -0.14 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 1by5 s PHE 365 CO -0.06 -0.73 -0.12 0.00 -1.34 0.00 0.00 175.22 172.98 1by5 s ALA 366 N -3.08 2.88 -0.52 1.99 0.00 -1.26 -0.43 121.76 121.34 1by5 s ALA 366 Ca -0.02 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 50.74 1by5 s ALA 366 Cb -0.00 -0.86 0.15 0.00 0.00 0.00 0.00 23.12 22.41 1by5 s ALA 366 CO -0.07 0.62 0.34 0.95 0.00 0.00 0.00 175.76 177.61 1by5 s THR 367 N -1.16 1.73 0.00 0.00 -4.23 -0.01 -4.99 115.64 106.98 1by5 s THR 367 Ca 0.20 -3.16 0.00 0.00 -1.18 0.00 0.00 61.69 57.55 1by5 s THR 367 Cb -0.11 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1by5 s THR 367 CO 0.12 -0.99 0.00 0.61 -0.54 0.00 0.00 174.62 173.82 1by5 n GLY 368 N 2.89 1.97 0.19 3.99 0.00 -1.26 -2.77 105.19 110.20 1by5 n GLY 368 Ca 0.16 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.76 1by5 n GLY 368 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1by5 n ASP 369 N 7.83 1.17 -4.58 1.61 8.00 -1.26 -4.85 116.55 124.47 1by5 n ASP 369 Ca 0.00 -0.95 -0.42 0.00 0.71 0.00 0.00 54.79 54.14 1by5 n ASP 369 Cb 0.00 0.49 -0.07 0.00 -0.02 0.00 0.00 41.12 41.52 1by5 n ASP 369 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1by5 s ILE 370 N -2.74 4.91 0.01 0.53 1.01 -1.11 -4.53 121.20 119.27 1by5 s ILE 370 Ca 0.15 0.67 -0.17 0.00 0.00 0.00 0.00 60.65 61.30 1by5 s ILE 370 Cb 0.18 -4.05 -0.06 0.00 0.01 0.00 0.00 42.46 38.54 1by5 s ILE 370 CO 0.67 -0.25 0.49 -1.81 0.00 0.00 0.00 174.94 174.03 1by5 s ASP 371 N 1.74 6.89 0.19 3.58 1.01 -0.85 -0.83 116.67 128.40 1by5 s ASP 371 Ca 0.24 1.06 0.11 0.00 0.71 0.00 0.00 52.55 54.67 1by5 s ASP 371 Cb -0.15 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 1by5 s ASP 371 CO 0.14 0.24 -0.24 -1.00 0.21 0.00 0.00 175.17 174.52 1by5 s HIS 372 N -0.76 2.31 -0.30 4.23 3.76 0.43 -1.06 115.29 123.89 1by5 s HIS 372 Ca 0.26 -0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 54.78 1by5 s HIS 372 Cb -0.17 -1.14 0.11 0.00 1.11 0.00 0.00 32.58 32.48 1by5 s HIS 372 CO 0.15 0.50 0.14 0.99 -0.85 0.00 0.00 174.74 175.67 1by5 s THR 373 N -1.66 -0.00 -0.20 1.30 2.01 -1.10 -2.69 115.64 113.29 1by5 s THR 373 Ca 0.21 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 61.16 1by5 s THR 373 Cb -0.08 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 1by5 s THR 373 CO 0.10 -0.77 0.16 -0.22 -0.69 0.00 0.00 174.62 173.20 1by5 s LEU 374 N 1.91 4.20 -0.12 4.42 2.96 0.76 -1.08 118.68 131.74 1by5 s LEU 374 Ca 0.11 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 1by5 s LEU 374 Cb -0.17 -2.15 0.01 0.00 0.50 0.00 0.00 46.19 44.38 1by5 s LEU 374 CO -0.30 0.15 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.46 1by5 s LEU 375 N 0.47 1.99 -0.04 -0.68 2.96 0.26 -0.63 118.68 123.01 1by5 s LEU 375 Ca 0.10 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1by5 s LEU 375 Cb -0.12 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.25 1by5 s LEU 375 CO -0.00 0.07 -0.10 0.42 -1.32 0.00 0.00 176.35 175.42 1by5 s THR 376 N 0.79 0.89 0.17 3.68 -4.23 -0.89 0.39 115.64 116.43 1by5 s THR 376 Ca -0.09 -0.39 -0.13 0.00 -1.18 0.00 0.00 61.69 59.91 1by5 s THR 376 Cb -0.16 -0.81 0.01 0.00 1.34 0.00 0.00 72.50 72.88 1by5 s THR 376 CO -0.00 0.29 0.38 -0.83 -0.54 0.00 0.00 174.62 173.92 1by5 s GLY 377 N 0.41 0.17 -0.16 3.99 0.00 -0.63 -1.35 107.32 109.75 1by5 s GLY 377 Ca -0.08 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.11 1by5 s GLY 377 CO 0.01 -0.56 -0.18 0.14 0.00 0.00 0.00 173.10 172.51 1by5 s VAL 378 N -3.91 1.86 -0.10 1.40 1.01 -0.84 -2.02 120.40 117.80 1by5 s VAL 378 Ca 0.12 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1by5 s VAL 378 Cb 0.02 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1by5 s VAL 378 CO -0.03 0.51 -0.14 -0.62 0.00 0.00 0.00 175.10 174.82 1by5 s ASP 379 N 1.28 2.36 0.08 3.32 2.15 -0.15 -1.67 116.67 124.04 1by5 s ASP 379 Ca 0.03 -0.41 -0.07 0.00 0.43 0.00 0.00 52.55 52.53 1by5 s ASP 379 Cb -0.13 -1.05 -0.01 0.00 -0.30 0.00 0.00 42.92 41.43 1by5 s ASP 379 CO -0.10 0.01 0.15 0.72 -0.17 0.00 0.00 175.17 175.78 1by5 s PHE 380 N 0.99 0.22 -0.07 -5.34 -0.12 -0.74 0.24 117.98 113.17 1by5 s PHE 380 Ca -0.07 -0.67 -0.20 0.00 -0.05 0.00 0.00 56.93 55.94 1by5 s PHE 380 Cb -0.15 -0.12 0.04 0.00 -0.63 0.00 0.00 43.02 42.17 1by5 s PHE 380 CO -0.01 -0.52 0.46 0.00 -0.05 0.00 0.00 175.22 175.10 1by5 s MET 381 N -3.87 0.75 -0.03 1.99 0.23 0.18 -1.80 119.30 116.73 1by5 s MET 381 Ca 0.05 0.17 0.05 0.00 -1.03 0.00 0.00 55.69 54.93 1by5 s MET 381 Cb 0.05 0.35 -0.01 0.00 -1.53 0.00 0.00 34.83 33.69 1by5 s MET 381 CO -0.11 -0.19 -0.19 1.03 -2.03 0.00 0.00 175.02 173.53 1by5 s ARG 382 N -0.86 1.84 -0.11 3.16 3.00 0.09 -1.76 118.95 124.30 1by5 s ARG 382 Ca -0.09 -0.69 -0.07 0.00 0.00 0.00 0.00 55.73 54.87 1by5 s ARG 382 Cb -0.03 -1.65 0.04 0.00 0.00 0.00 0.00 34.95 33.31 1by5 s ARG 382 CO 0.05 0.34 0.28 0.00 0.00 0.00 0.00 175.30 175.97 1by5 s MET 383 N -0.19 0.27 -0.02 3.54 0.23 0.03 -0.98 119.30 122.18 1by5 s MET 383 Ca 0.01 0.52 0.02 0.00 -1.03 0.00 0.00 55.69 55.21 1by5 s MET 383 Cb -0.10 -0.01 0.00 0.00 -1.53 0.00 0.00 34.83 33.19 1by5 s MET 383 CO 0.01 -0.12 -0.08 -0.98 -2.03 0.00 0.00 175.02 171.82 1by5 s ARG 384 N 0.91 0.81 -0.07 3.16 1.70 -0.80 -0.16 118.95 124.50 1by5 s ARG 384 Ca -0.06 -0.27 0.01 0.00 -0.47 0.00 0.00 55.73 54.94 1by5 s ARG 384 Cb -0.07 -0.78 0.02 0.00 -0.57 0.00 0.00 34.95 33.55 1by5 s ARG 384 CO -0.06 0.11 -0.07 1.21 -1.08 0.00 0.00 175.30 175.40 1by5 s ASN 385 N 0.13 1.59 -0.34 -2.89 2.47 0.17 -1.42 114.94 114.66 1by5 s ASN 385 Ca -0.02 -0.22 -0.11 0.00 0.42 0.00 0.00 52.86 52.93 1by5 s ASN 385 Cb -0.07 -0.67 -0.00 0.00 -1.45 0.00 0.00 41.25 39.05 1by5 s ASN 385 CO 0.00 -0.05 0.20 -0.62 -3.72 0.00 0.00 177.10 172.90 1by5 s ASP 386 N 1.12 5.76 -0.22 -4.21 -1.08 0.66 -1.50 116.67 117.21 1by5 s ASP 386 Ca -0.07 -0.61 -0.06 0.00 -0.52 0.00 0.00 52.55 51.29 1by5 s ASP 386 Cb -0.14 -2.05 -0.03 0.00 -1.46 0.00 0.00 42.92 39.24 1by5 s ASP 386 CO -0.01 -0.26 0.04 -0.63 0.52 0.00 0.00 175.17 174.83 1by5 s ILE 387 N 1.64 4.23 -0.47 4.11 1.01 0.95 -1.89 121.20 130.77 1by5 s ILE 387 Ca 0.05 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.51 1by5 s ILE 387 Cb -0.18 -2.94 0.14 0.00 0.01 0.00 0.00 42.46 39.50 1by5 s ILE 387 CO 0.08 0.40 0.28 0.21 0.00 0.00 0.00 174.94 175.90 1by5 s ASN 388 N 1.15 3.63 0.47 3.58 2.47 -0.85 -0.89 114.94 124.51 1by5 s ASN 388 Ca 0.04 -2.82 0.02 0.00 0.42 0.00 0.00 52.86 50.52 1by5 s ASN 388 Cb -0.14 -1.09 -0.03 0.00 -1.45 0.00 0.00 41.25 38.54 1by5 s ASN 388 CO 0.02 -0.24 0.02 0.00 -3.72 0.00 0.00 177.10 173.19 1by5 s ALA 389 N 0.09 3.74 -0.11 1.71 0.00 0.11 -2.87 121.76 124.44 1by5 s ALA 389 Ca 0.20 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 1by5 s ALA 389 Cb -0.20 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.15 1by5 s ALA 389 CO -0.03 -0.09 0.26 -0.46 0.00 0.00 0.00 175.76 175.43 1by5 s TRP 390 N -2.92 -0.34 -0.09 0.00 -0.11 0.41 -0.42 118.94 115.48 1by5 s TRP 390 Ca 0.14 0.80 0.04 0.00 1.22 0.00 0.00 56.10 58.30 1by5 s TRP 390 Cb 0.03 0.07 -0.01 0.00 -1.50 0.00 0.00 33.47 32.07 1by5 s TRP 390 CO 0.07 -0.22 -0.23 -0.06 -4.62 0.00 0.00 176.95 171.89 1by5 s PHE 391 N 1.02 2.54 0.08 5.86 0.40 -0.26 -0.77 117.98 126.85 1by5 s PHE 391 Ca -0.07 -0.89 -0.20 0.00 -0.60 0.00 0.00 56.93 55.17 1by5 s PHE 391 Cb -0.08 -1.68 -0.07 0.00 0.51 0.00 0.00 43.02 41.70 1by5 s PHE 391 CO -0.07 -0.32 0.59 0.20 0.70 0.00 0.00 175.22 176.32 1by5 s GLY 392 N 0.15 2.69 0.00 4.36 0.00 0.25 -1.67 107.32 113.10 1by5 s GLY 392 Ca -0.12 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.66 1by5 s GLY 392 CO 0.07 0.50 0.00 -1.72 0.00 0.00 0.00 173.10 171.95 1by5 n TYR 393 N 1.74 0.00 -0.13 1.90 4.01 0.14 -4.27 117.16 120.55 1by5 n TYR 393 Ca -0.10 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.61 1by5 n TYR 393 Cb 0.51 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.51 1by5 n TYR 393 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1by5 n ASP 394 N 0.00 -0.32 -2.55 7.72 8.00 -1.26 -2.95 116.55 125.19 1by5 n ASP 394 Ca 0.00 1.20 -0.33 0.00 0.71 0.00 0.00 54.79 56.37 1by5 n ASP 394 Cb 0.00 -0.40 0.04 0.00 -0.02 0.00 0.00 41.12 40.73 1by5 n ASP 394 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1by5 n ASP 395 N -3.67 6.47 0.17 -2.24 8.00 -1.26 -4.68 116.55 119.35 1by5 n ASP 395 Ca 0.01 -3.79 0.12 0.00 0.71 0.00 0.00 54.79 51.84 1by5 n ASP 395 Cb 0.08 -0.79 0.14 0.00 -0.02 0.00 0.00 41.12 40.53 1by5 n ASP 395 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1by5 h SER 396 N 2.55 0.00 -3.60 -2.24 4.64 -1.76 -3.45 113.55 109.69 1by5 h SER 396 Ca 0.48 -0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.55 1by5 h SER 396 Cb 0.65 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.44 1by5 h SER 396 CO 1.22 0.00 -0.63 0.68 -0.87 0.00 0.00 176.83 177.24 1by5 s VAL 397 N -3.24 -0.03 0.42 0.95 -7.23 -1.26 -4.94 120.40 105.07 1by5 s VAL 397 Ca 0.05 0.10 -0.23 0.00 -1.81 0.00 0.00 61.98 60.10 1by5 s VAL 397 Cb 0.07 -0.16 -0.12 0.00 0.56 0.00 0.00 36.38 36.73 1by5 s VAL 397 CO 0.70 0.04 0.67 -0.81 -0.31 0.00 0.00 175.10 175.39 1by5 n PRO 398 N 3.65 0.76 -0.68 4.82 -0.04 -1.26 -4.45 135.00 137.80 1by5 n PRO 398 Ca -0.20 0.27 -0.31 0.00 -0.04 0.00 0.00 63.50 63.22 1by5 n PRO 398 Cb 0.55 -1.65 0.17 0.00 -0.04 0.00 0.00 33.50 32.53 1by5 n PRO 398 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1by5 n LEU 399 N 1.03 2.14 -4.04 1.53 4.77 -1.26 -4.67 117.00 116.50 1by5 n LEU 399 Ca 0.11 0.34 -0.31 0.00 -0.03 0.00 0.00 56.01 56.12 1by5 n LEU 399 Cb 0.39 -1.40 -0.16 0.00 -2.33 0.00 0.00 43.42 39.93 1by5 n LEU 399 CO 0.55 -2.55 -0.48 -0.22 -1.33 0.00 0.00 177.39 173.36 1by5 s LEU 400 N -5.56 2.50 -0.42 2.23 1.98 -0.52 -4.97 118.68 113.91 1by5 s LEU 400 Ca 0.65 -0.94 -0.28 0.00 -2.89 0.00 0.00 54.13 50.67 1by5 s LEU 400 Cb -0.23 -1.36 0.00 0.00 0.66 0.00 0.00 46.19 45.27 1by5 s LEU 400 CO 0.61 -0.12 1.54 0.21 -1.89 0.00 0.00 176.35 176.69 1by5 s ASN 401 N 1.31 6.14 0.54 3.68 3.84 -1.26 -0.97 114.94 128.21 1by5 s ASN 401 Ca -0.01 0.85 0.36 0.00 0.21 0.00 0.00 52.86 54.26 1by5 s ASN 401 Cb -0.16 -2.54 1.71 0.00 -0.55 0.00 0.00 41.25 39.71 1by5 s ASN 401 CO -0.09 -1.59 2.07 -0.07 -2.79 0.00 0.00 177.10 174.64 1by5 h LEU 402 N 12.93 0.00 0.00 3.21 3.38 -1.19 0.40 115.31 134.03 1by5 h LEU 402 Ca -0.29 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.44 1by5 h LEU 402 Cb 1.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1by5 h LEU 402 CO 1.09 0.00 -1.24 1.88 0.09 0.00 0.00 178.44 180.26 1by5 h TYR 403 N 0.00 0.00 -2.02 1.13 0.05 -1.90 -3.39 116.97 110.84 1by5 h TYR 403 Ca 0.00 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.22 1by5 h TYR 403 Cb 0.26 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 37.61 1by5 h TYR 403 CO 0.00 0.99 -1.09 -1.71 -1.05 0.00 0.00 178.16 175.30 1by5 n ASN 404 N -3.24 0.07 -4.72 3.88 5.15 -0.83 -5.12 115.26 110.46 1by5 n ASN 404 Ca -0.06 -2.66 -0.42 0.00 -0.60 0.00 0.00 54.58 50.84 1by5 n ASN 404 Cb 0.98 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 39.59 1by5 n ASN 404 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1by5 s PRO 405 N -1.03 4.23 -0.26 1.20 0.04 0.07 -4.51 135.00 134.74 1by5 s PRO 405 Ca 0.35 2.30 0.03 0.00 0.04 0.00 0.00 61.00 63.72 1by5 s PRO 405 Cb 0.16 -3.21 0.06 0.00 0.04 0.00 0.00 34.50 31.55 1by5 s PRO 405 CO -0.12 -0.58 -0.11 0.08 0.04 0.00 0.00 177.00 176.31 1by5 s VAL 406 N 1.25 2.15 -0.20 -0.36 1.01 -1.26 -5.05 120.40 117.94 1by5 s VAL 406 Ca 0.69 -1.61 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 1by5 s VAL 406 Cb -0.42 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1by5 s VAL 406 CO 0.31 -0.01 0.60 0.20 0.00 0.00 0.00 175.10 176.20 1by5 s ASN 407 N 1.11 6.65 0.19 3.32 -0.87 -1.26 -5.03 114.94 119.06 1by5 s ASN 407 Ca -0.09 0.79 -0.02 0.00 -1.57 0.00 0.00 52.86 51.98 1by5 s ASN 407 Cb -0.20 -2.33 -0.04 0.00 -0.02 0.00 0.00 41.25 38.66 1by5 s ASN 407 CO -0.05 -0.25 0.14 0.42 -2.57 0.00 0.00 177.10 174.78 1by5 s THR 408 N 1.87 0.01 0.63 1.60 -4.23 -1.26 -4.86 115.64 109.40 1by5 s THR 408 Ca 0.27 -1.96 -0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1by5 s THR 408 Cb -0.16 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 1by5 s THR 408 CO 0.10 -0.05 1.12 -1.81 -0.54 0.00 0.00 174.62 173.44 1by5 s ASP 409 N -3.14 5.23 -0.04 3.99 1.11 -1.26 -1.42 116.67 121.14 1by5 s ASP 409 Ca 0.36 2.06 0.06 0.00 0.18 0.00 0.00 52.55 55.21 1by5 s ASP 409 Cb 0.07 -2.56 -0.01 0.00 1.07 0.00 0.00 42.92 41.49 1by5 s ASP 409 CO 0.11 -1.55 -0.22 0.12 1.18 0.00 0.00 175.17 174.81 1by5 s PHE 410 N -2.18 2.08 -0.58 4.23 5.36 -1.26 -4.87 117.98 120.75 1by5 s PHE 410 Ca 0.69 -0.55 -0.23 0.00 -0.96 0.00 0.00 56.93 55.88 1by5 s PHE 410 Cb -0.22 -1.36 0.05 0.00 -0.34 0.00 0.00 43.02 41.15 1by5 s PHE 410 CO 0.38 -0.15 0.91 0.34 -1.46 0.00 0.00 175.22 175.25 1by5 s ASP 411 N -0.21 6.27 0.22 6.13 2.15 -1.26 -4.86 116.67 125.11 1by5 s ASP 411 Ca -0.00 -0.64 0.26 0.00 0.43 0.00 0.00 52.55 52.60 1by5 s ASP 411 Cb -0.11 -2.41 0.74 0.00 -0.30 0.00 0.00 42.92 40.84 1by5 s ASP 411 CO 0.02 -1.26 1.74 -0.26 -0.17 0.00 0.00 175.17 175.23 1by5 h PHE 412 N 9.37 0.00 0.06 -5.34 0.04 -1.99 -3.28 116.94 115.78 1by5 h PHE 412 Ca -0.27 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.26 1by5 h PHE 412 Cb 1.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.21 1by5 h PHE 412 CO 0.91 0.00 -1.07 -0.91 -0.60 0.00 0.00 178.31 176.64 1by5 h ASN 413 N 0.00 0.24 -0.46 2.17 2.35 -2.06 -3.39 115.58 114.43 1by5 h ASN 413 Ca 0.00 -0.24 -0.33 0.00 -0.55 0.00 0.00 56.30 55.18 1by5 h ASN 413 Cb 0.76 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 39.01 1by5 h ASN 413 CO 0.00 1.15 1.06 0.00 -1.65 0.00 0.00 177.43 177.99 1by5 s ALA 414 N -2.80 1.78 -1.36 -0.83 0.00 -1.24 -4.82 121.76 112.48 1by5 s ALA 414 Ca -0.02 -2.15 -0.11 0.00 0.00 0.00 0.00 51.96 49.68 1by5 s ALA 414 Cb 0.09 -4.68 0.11 0.00 0.00 0.00 0.00 23.12 18.64 1by5 s ALA 414 CO 0.85 -5.26 2.09 1.63 0.00 0.00 0.00 175.76 175.07 1by5 n LYS 415 N 8.28 3.42 -1.56 0.00 5.02 -1.26 -4.97 118.16 127.09 1by5 n LYS 415 Ca 0.45 -3.13 -0.48 0.00 -2.02 0.00 0.00 58.31 53.13 1by5 n LYS 415 Cb 0.47 -3.03 -0.05 0.00 -0.02 0.00 0.00 35.03 32.40 1by5 n LYS 415 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1by5 n ASP 416 N 4.49 2.82 0.16 4.39 -0.08 -1.26 -4.83 116.55 122.23 1by5 n ASP 416 Ca 0.47 0.51 0.11 0.00 -1.51 0.00 0.00 54.79 54.38 1by5 n ASP 416 Cb 0.36 -1.37 0.57 0.00 2.34 0.00 0.00 41.12 43.02 1by5 n ASP 416 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1by5 n PRO 417 N 7.90 0.16 0.07 -0.67 -0.04 -1.26 -2.19 135.00 138.96 1by5 n PRO 417 Ca 0.33 0.59 0.13 0.00 -0.04 0.00 0.00 63.50 64.51 1by5 n PRO 417 Cb 0.31 -1.95 0.44 0.00 -0.04 0.00 0.00 33.50 32.26 1by5 n PRO 417 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1by5 n ALA 418 N -1.78 2.38 -1.83 0.55 0.00 -1.26 -4.12 120.51 114.45 1by5 n ALA 418 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1by5 n ALA 418 Cb 0.08 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1by5 n ALA 418 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1by5 n ASN 419 N -2.04 0.00 -3.51 0.00 2.04 -0.95 -5.05 115.26 105.75 1by5 n ASN 419 Ca 0.06 -1.66 -0.16 0.00 -0.44 0.00 0.00 54.58 52.38 1by5 n ASN 419 Cb 0.41 -0.13 -0.05 0.00 -2.53 0.00 0.00 39.78 37.47 1by5 n ASN 419 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1by5 s SER 420 N -0.66 -0.60 0.11 0.53 1.04 -0.93 0.25 113.70 113.44 1by5 s SER 420 Ca 0.00 0.53 -0.03 0.00 0.48 0.00 0.00 55.95 56.93 1by5 s SER 420 Cb 0.00 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 1by5 s SER 420 CO 0.00 -0.63 0.08 -0.83 0.98 0.00 0.00 173.24 172.84 1by5 s GLY 421 N -1.49 0.65 0.70 7.32 0.00 -0.67 -4.33 107.32 109.50 1by5 s GLY 421 Ca -0.07 -1.20 -0.11 0.00 0.00 0.00 0.00 44.72 43.33 1by5 s GLY 421 CO 0.04 -1.20 1.08 2.56 0.00 0.00 0.00 173.10 175.59 1by5 s PRO 422 N -3.98 2.93 -0.38 2.90 0.04 -1.26 -1.10 135.00 134.15 1by5 s PRO 422 Ca 0.16 0.56 0.04 0.00 0.04 0.00 0.00 61.00 61.79 1by5 s PRO 422 Cb 0.07 -2.02 0.16 0.00 0.04 0.00 0.00 34.50 32.74 1by5 s PRO 422 CO -0.04 -1.01 0.41 -0.47 0.04 0.00 0.00 177.00 175.93 1by5 s TYR 423 N -3.29 -0.48 -0.29 0.56 5.04 0.44 -4.81 117.35 114.52 1by5 s TYR 423 Ca 0.58 -0.68 -0.01 0.00 -2.44 0.00 0.00 57.07 54.52 1by5 s TYR 423 Cb -0.11 -0.32 0.05 0.00 0.35 0.00 0.00 41.96 41.93 1by5 s TYR 423 CO 0.53 -1.00 -0.03 1.03 -1.34 0.00 0.00 175.55 174.74 1by5 s ARG 424 N 1.49 2.42 0.09 4.97 0.52 -1.26 -0.71 118.95 126.47 1by5 s ARG 424 Ca 0.17 -1.26 0.06 0.00 -0.52 0.00 0.00 55.73 54.17 1by5 s ARG 424 Cb -0.14 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.21 1by5 s ARG 424 CO -0.04 -0.59 -0.15 0.42 0.02 0.00 0.00 175.30 174.97 1by5 s ILE 425 N 1.22 1.23 -0.34 1.52 -1.09 -0.07 -1.45 121.20 122.22 1by5 s ILE 425 Ca -0.06 -1.49 0.01 0.00 -2.23 0.00 0.00 60.65 56.89 1by5 s ILE 425 Cb -0.20 -1.29 0.10 0.00 -1.58 0.00 0.00 42.46 39.50 1by5 s ILE 425 CO -0.02 -0.29 0.10 -0.22 -1.23 0.00 0.00 174.94 173.27 1by5 s LEU 426 N -2.04 3.34 -0.04 2.97 2.96 -0.40 -0.03 118.68 125.43 1by5 s LEU 426 Ca 0.03 -1.98 -0.17 0.00 -0.22 0.00 0.00 54.13 51.80 1by5 s LEU 426 Cb -0.08 -1.21 -0.05 0.00 0.50 0.00 0.00 46.19 45.35 1by5 s LEU 426 CO 0.03 -0.38 0.46 0.20 -1.32 0.00 0.00 176.35 175.33 1by5 s ASN 427 N 1.16 6.79 -0.00 3.68 0.01 -0.56 -2.08 114.94 123.95 1by5 s ASN 427 Ca 0.11 0.94 0.06 0.00 -0.71 0.00 0.00 52.86 53.26 1by5 s ASN 427 Cb -0.19 -2.28 -0.02 0.00 0.41 0.00 0.00 41.25 39.17 1by5 s ASN 427 CO -0.15 0.18 -0.18 -0.54 -1.51 0.00 0.00 177.10 174.90 1by5 s LYS 428 N -0.37 1.39 0.01 -0.60 1.02 0.18 -0.66 119.74 120.70 1by5 s LYS 428 Ca 0.25 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 55.54 1by5 s LYS 428 Cb -0.16 -1.37 -0.01 0.00 -0.52 0.00 0.00 37.83 35.77 1by5 s LYS 428 CO 0.13 0.37 0.02 -0.65 -0.92 0.00 0.00 175.35 174.30 1by5 s GLN 429 N -0.57 0.27 -0.09 1.68 -0.21 0.77 -1.57 119.66 119.94 1by5 s GLN 429 Ca 0.06 -0.37 -0.17 0.00 0.02 0.00 0.00 55.36 54.90 1by5 s GLN 429 Cb -0.07 0.10 0.04 0.00 1.00 0.00 0.00 33.01 34.08 1by5 s GLN 429 CO -0.00 -0.05 0.42 -1.59 -2.12 0.00 0.00 175.29 171.95 1by5 s LYS 430 N -1.01 0.66 -0.16 2.91 -2.85 -0.45 -0.79 119.74 118.05 1by5 s LYS 430 Ca -0.11 0.23 -0.12 0.00 -1.00 0.00 0.00 55.97 54.97 1by5 s LYS 430 Cb -0.07 0.31 0.05 0.00 -2.06 0.00 0.00 37.83 36.06 1by5 s LYS 430 CO -0.00 -0.15 0.41 -1.14 0.10 0.00 0.00 175.35 174.57 1by5 s GLN 431 N -0.61 0.44 -0.02 1.78 0.74 -0.72 -1.06 119.66 120.20 1by5 s GLN 431 Ca -0.07 0.68 0.03 0.00 0.05 0.00 0.00 55.36 56.05 1by5 s GLN 431 Cb -0.04 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.18 1by5 s GLN 431 CO 0.03 -0.11 -0.10 0.99 -0.55 0.00 0.00 175.29 175.56 1by5 s THR 432 N 0.82 0.83 0.02 -0.34 2.01 -0.54 -0.65 115.64 117.79 1by5 s THR 432 Ca -0.05 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 61.49 1by5 s THR 432 Cb -0.06 -0.73 -0.00 0.00 0.01 0.00 0.00 72.50 71.72 1by5 s THR 432 CO -0.06 0.25 0.11 -0.83 -0.69 0.00 0.00 174.62 173.41 1by5 s GLY 433 N 0.11 0.10 -0.04 4.40 0.00 0.14 -0.83 107.32 111.19 1by5 s GLY 433 Ca -0.02 -0.30 0.05 0.00 0.00 0.00 0.00 44.72 44.45 1by5 s GLY 433 CO 0.00 -0.43 -0.21 0.14 0.00 0.00 0.00 173.10 172.60 1by5 s VAL 434 N -1.78 1.70 0.04 1.40 1.01 -0.72 -0.98 120.40 121.07 1by5 s VAL 434 Ca -0.12 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 1by5 s VAL 434 Cb -0.06 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1by5 s VAL 434 CO -0.01 0.48 0.13 -0.72 0.00 0.00 0.00 175.10 174.99 1by5 s TYR 435 N -0.13 0.15 -0.03 5.22 1.13 -0.86 -0.86 117.35 121.97 1by5 s TYR 435 Ca -0.02 -0.42 -0.02 0.00 -1.41 0.00 0.00 57.07 55.20 1by5 s TYR 435 Cb -0.12 -0.10 0.01 0.00 -1.10 0.00 0.00 41.96 40.65 1by5 s TYR 435 CO 0.02 -0.39 0.07 0.54 -2.51 0.00 0.00 175.55 173.28 1by5 s VAL 436 N -2.60 -0.00 -0.02 -3.49 0.11 0.08 -1.61 120.40 112.87 1by5 s VAL 436 Ca -0.05 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.92 1by5 s VAL 436 Cb -0.01 -0.10 0.01 0.00 -1.53 0.00 0.00 36.38 34.75 1by5 s VAL 436 CO -0.04 0.00 0.19 -1.58 -3.33 0.00 0.00 175.10 170.33 1by5 s GLN 437 N 0.06 0.44 -0.01 1.54 0.74 0.16 -0.53 119.66 122.06 1by5 s GLN 437 Ca -0.00 -0.15 0.01 0.00 0.05 0.00 0.00 55.36 55.26 1by5 s GLN 437 Cb -0.01 0.19 0.01 0.00 1.10 0.00 0.00 33.01 34.30 1by5 s GLN 437 CO -0.00 -0.10 -0.02 0.34 -0.55 0.00 0.00 175.29 174.96 1by5 s ASP 438 N -0.91 0.38 -0.51 6.67 2.15 0.11 0.90 116.67 125.45 1by5 s ASP 438 Ca -0.10 -0.05 0.02 0.00 0.43 0.00 0.00 52.55 52.86 1by5 s ASP 438 Cb -0.05 -0.10 0.13 0.00 -0.30 0.00 0.00 42.92 42.60 1by5 s ASP 438 CO 0.02 -0.01 0.27 -1.10 -0.17 0.00 0.00 175.17 174.18 1by5 s GLN 439 N 0.28 2.04 -0.13 4.34 -0.21 -0.24 -1.44 119.66 124.29 1by5 s GLN 439 Ca -0.03 -2.48 -0.15 0.00 0.02 0.00 0.00 55.36 52.73 1by5 s GLN 439 Cb -0.05 -3.40 -0.05 0.00 1.00 0.00 0.00 33.01 30.51 1by5 s GLN 439 CO -0.01 -1.10 0.36 0.00 -2.12 0.00 0.00 175.29 172.42 1by5 s ALA 440 N -0.03 3.57 -0.12 6.09 0.00 -0.74 -2.72 121.76 127.80 1by5 s ALA 440 Ca 0.16 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.78 1by5 s ALA 440 Cb -0.24 -2.47 0.02 0.00 0.00 0.00 0.00 23.12 20.43 1by5 s ALA 440 CO -0.02 0.10 -0.15 -1.14 0.00 0.00 0.00 175.76 174.55 1by5 s GLN 441 N 0.38 2.22 -0.24 0.00 0.74 -0.23 -0.88 119.66 121.65 1by5 s GLN 441 Ca 0.20 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 55.07 1by5 s GLN 441 Cb -0.14 -1.95 0.04 0.00 1.10 0.00 0.00 33.01 32.07 1by5 s GLN 441 CO 0.07 -0.13 -0.12 -0.46 -0.55 0.00 0.00 175.29 174.10 1by5 s TRP 442 N 1.18 3.10 0.00 1.67 -0.00 0.07 -2.00 118.94 122.95 1by5 s TRP 442 Ca -0.02 -1.96 0.00 0.00 -0.00 0.00 0.00 56.10 54.12 1by5 s TRP 442 Cb -0.14 -1.96 0.00 0.00 -0.00 0.00 0.00 33.47 31.36 1by5 s TRP 442 CO -0.05 -0.83 0.00 -3.47 -0.00 0.00 0.00 176.95 172.61 1by5 n ASP 443 N 4.54 0.00 -0.84 5.86 2.03 -1.26 -0.52 116.55 126.37 1by5 n ASP 443 Ca -0.16 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.23 1by5 n ASP 443 Cb 0.45 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 41.00 1by5 n ASP 443 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1by5 n LYS 444 N 0.70 2.02 -3.95 -0.67 5.02 -1.26 -4.96 118.16 115.07 1by5 n LYS 444 Ca 0.00 -1.90 -0.36 0.00 -2.02 0.00 0.00 58.31 54.03 1by5 n LYS 444 Cb 0.00 -1.38 -0.07 0.00 -0.02 0.00 0.00 35.03 33.57 1by5 n LYS 444 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1by5 s VAL 445 N -1.27 5.30 -0.05 -0.18 1.01 0.33 -1.76 120.40 123.77 1by5 s VAL 445 Ca 0.27 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.40 1by5 s VAL 445 Cb 0.17 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1by5 s VAL 445 CO 0.23 0.60 -0.06 -0.22 0.00 0.00 0.00 175.10 175.66 1by5 s LEU 446 N -0.86 1.37 -0.15 3.92 0.20 -0.60 -0.75 118.68 121.82 1by5 s LEU 446 Ca 0.14 -0.16 0.02 0.00 0.69 0.00 0.00 54.13 54.82 1by5 s LEU 446 Cb -0.12 -0.52 0.01 0.00 -0.43 0.00 0.00 46.19 45.14 1by5 s LEU 446 CO 0.03 -0.04 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.14 1by5 s VAL 447 N 0.90 2.05 -0.30 1.68 1.01 -0.06 -1.25 120.40 124.43 1by5 s VAL 447 Ca -0.11 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.82 1by5 s VAL 447 Cb -0.15 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1by5 s VAL 447 CO 0.01 0.55 0.10 -0.89 0.00 0.00 0.00 175.10 174.86 1by5 s THR 448 N 0.90 4.21 0.04 3.92 2.01 -0.72 -1.79 115.64 124.22 1by5 s THR 448 Ca -0.05 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.46 1by5 s THR 448 Cb -0.15 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 1by5 s THR 448 CO -0.04 0.10 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.58 1by5 s LEU 449 N 1.55 2.15 -0.20 4.42 1.98 -0.52 -1.91 118.68 126.15 1by5 s LEU 449 Ca 0.04 -0.48 -0.34 0.00 -2.89 0.00 0.00 54.13 50.45 1by5 s LEU 449 Cb -0.17 -0.89 0.14 0.00 0.66 0.00 0.00 46.19 45.94 1by5 s LEU 449 CO 0.04 0.14 1.21 -0.83 -1.89 0.00 0.00 176.35 175.02 1by5 s GLY 450 N -1.08 -0.25 0.07 7.98 0.00 -1.00 0.05 107.32 113.10 1by5 s GLY 450 Ca 0.06 1.75 -0.11 0.00 0.00 0.00 0.00 44.72 46.42 1by5 s GLY 450 CO 0.01 0.62 0.25 -0.32 0.00 0.00 0.00 173.10 173.66 1by5 s GLY 451 N -1.99 -0.02 -0.09 0.20 0.00 0.31 -1.92 107.32 103.81 1by5 s GLY 451 Ca 0.09 -0.33 -0.08 0.00 0.00 0.00 0.00 44.72 44.39 1by5 s GLY 451 CO -0.05 -0.53 0.24 -1.60 0.00 0.00 0.00 173.10 171.16 1by5 s ARG 452 N -3.30 0.28 -0.15 2.90 3.52 0.11 -0.74 118.95 121.58 1by5 s ARG 452 Ca 0.00 0.33 0.01 0.00 -0.13 0.00 0.00 55.73 55.95 1by5 s ARG 452 Cb 0.02 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.55 1by5 s ARG 452 CO -0.08 -0.03 -0.18 -0.47 -0.81 0.00 0.00 175.30 173.73 1by5 s TYR 453 N 0.13 2.73 -0.02 5.12 5.04 -0.04 -0.96 117.35 129.35 1by5 s TYR 453 Ca -0.00 -1.14 0.06 0.00 -2.44 0.00 0.00 57.07 53.55 1by5 s TYR 453 Cb -0.02 -1.85 -0.03 0.00 0.35 0.00 0.00 41.96 40.41 1by5 s TYR 453 CO 0.00 -0.52 -0.19 -0.51 -1.34 0.00 0.00 175.55 173.00 1by5 s ASP 454 N 0.78 3.65 -0.36 4.32 1.01 0.38 -1.75 116.67 124.70 1by5 s ASP 454 Ca -0.07 -0.34 -0.03 0.00 0.71 0.00 0.00 52.55 52.82 1by5 s ASP 454 Cb -0.16 -0.62 0.08 0.00 1.01 0.00 0.00 42.92 43.23 1by5 s ASP 454 CO -0.00 0.32 0.11 0.26 0.21 0.00 0.00 175.17 176.06 1by5 s TRP 455 N -0.74 3.42 -0.28 4.23 0.51 -0.01 -1.98 118.94 124.09 1by5 s TRP 455 Ca 0.12 -2.09 -0.00 0.00 -2.12 0.00 0.00 56.10 52.01 1by5 s TRP 455 Cb -0.10 -2.66 0.05 0.00 -0.81 0.00 0.00 33.47 29.94 1by5 s TRP 455 CO 0.01 -0.88 -0.04 0.00 -0.51 0.00 0.00 176.95 175.53 1by5 s ALA 456 N 1.21 2.72 -0.04 0.98 0.00 -0.59 -1.47 121.76 124.57 1by5 s ALA 456 Ca 0.02 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.28 1by5 s ALA 456 Cb -0.21 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 1by5 s ALA 456 CO -0.02 -1.20 -0.13 -0.51 0.00 0.00 0.00 175.76 173.90 1by5 s ASP 457 N 1.21 4.14 0.02 0.00 1.01 -0.22 -0.75 116.67 122.07 1by5 s ASP 457 Ca -0.06 -0.19 0.03 0.00 0.71 0.00 0.00 52.55 53.04 1by5 s ASP 457 Cb -0.19 -0.89 -0.02 0.00 1.01 0.00 0.00 42.92 42.83 1by5 s ASP 457 CO -0.03 0.34 -0.09 0.00 0.21 0.00 0.00 175.17 175.60 1by5 s GLN 458 N -0.85 0.64 -0.07 8.23 -2.07 -0.90 -1.34 119.66 123.30 1by5 s GLN 458 Ca 0.12 -0.55 -0.03 0.00 -1.82 0.00 0.00 55.36 53.09 1by5 s GLN 458 Cb -0.11 -0.56 0.04 0.00 -1.09 0.00 0.00 33.01 31.30 1by5 s GLN 458 CO 0.01 0.14 0.14 -2.00 -1.32 0.00 0.00 175.29 172.26 1by5 s GLU 459 N -0.89 0.04 -0.23 9.60 2.12 -0.61 -1.96 118.70 126.78 1by5 s GLU 459 Ca -0.02 0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.77 1by5 s GLU 459 Cb -0.06 -0.25 0.05 0.00 0.26 0.00 0.00 34.13 34.12 1by5 s GLU 459 CO 0.00 -0.24 -0.10 0.45 -0.54 0.00 0.00 175.26 174.83 1by5 s SER 460 N 1.73 3.84 -0.26 -1.70 0.15 0.49 -0.65 113.70 117.30 1by5 s SER 460 Ca -0.03 -1.11 -0.10 0.00 0.70 0.00 0.00 55.95 55.41 1by5 s SER 460 Cb -0.12 -1.35 -0.05 0.00 -1.71 0.00 0.00 66.02 62.80 1by5 s SER 460 CO -0.05 -0.17 0.16 -0.22 1.20 0.00 0.00 173.24 174.15 1by5 s LEU 461 N 1.29 3.98 -0.44 3.45 1.98 -0.88 -1.29 118.68 126.77 1by5 s LEU 461 Ca -0.04 0.02 -0.21 0.00 -2.89 0.00 0.00 54.13 51.01 1by5 s LEU 461 Cb -0.18 -2.08 0.02 0.00 0.66 0.00 0.00 46.19 44.61 1by5 s LEU 461 CO -0.07 0.01 0.63 0.21 -1.89 0.00 0.00 176.35 175.24 1by5 s ASN 462 N 1.41 6.32 0.41 3.68 3.84 -0.96 -1.27 114.94 128.36 1by5 s ASN 462 Ca 0.07 -0.37 0.12 0.00 0.21 0.00 0.00 52.86 52.90 1by5 s ASN 462 Cb -0.15 -2.31 0.85 0.00 -0.55 0.00 0.00 41.25 39.09 1by5 s ASN 462 CO 0.07 -0.77 1.92 0.03 -2.79 0.00 0.00 177.10 175.56 1by5 h ARG 463 N 8.87 0.07 0.13 0.43 3.08 -1.56 0.77 114.38 126.18 1by5 h ARG 463 Ca -0.25 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 1by5 h ARG 463 Cb 1.10 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1by5 h ARG 463 CO 0.89 0.30 -0.06 0.28 -1.07 0.00 0.00 179.97 180.31 1by5 h VAL 464 N 0.07 0.80 -0.02 2.04 2.07 -1.92 -3.34 116.25 115.94 1by5 h VAL 464 Ca 0.01 -1.25 -0.13 0.00 0.82 0.00 0.00 66.70 66.16 1by5 h VAL 464 Cb 0.44 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1by5 h VAL 464 CO 0.03 0.23 -0.57 0.00 0.02 0.00 0.00 177.57 177.27 1by5 h ALA 465 N -0.42 1.00 0.00 1.67 0.00 -1.92 -3.47 119.26 116.12 1by5 h ALA 465 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1by5 h ALA 465 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1by5 h ALA 465 CO 0.03 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1by5 n GLY 466 N 0.14 0.81 3.86 0.00 0.00 0.26 -5.04 105.19 105.21 1by5 n GLY 466 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1by5 n GLY 466 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1by5 s THR 467 N -3.19 1.97 -0.25 2.61 -4.23 -1.23 -4.88 115.64 106.43 1by5 s THR 467 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 1by5 s THR 467 Cb 0.00 -2.89 0.12 0.00 1.34 0.00 0.00 72.50 71.06 1by5 s THR 467 CO 0.00 0.00 0.51 -0.89 -0.54 0.00 0.00 174.62 173.70 1by5 s THR 468 N -3.56 -0.80 -0.16 3.99 2.01 -1.26 -2.27 115.64 113.59 1by5 s THR 468 Ca 0.67 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.70 1by5 s THR 468 Cb -0.09 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1by5 s THR 468 CO 0.52 0.02 -0.02 -1.81 -0.69 0.00 0.00 174.62 172.65 1by5 s ASP 469 N 2.73 4.98 0.26 3.53 1.01 -0.41 -4.96 116.67 123.81 1by5 s ASP 469 Ca -0.00 -0.08 0.04 0.00 0.71 0.00 0.00 52.55 53.22 1by5 s ASP 469 Cb -0.12 -1.82 -0.06 0.00 1.01 0.00 0.00 42.92 41.93 1by5 s ASP 469 CO -0.16 0.17 0.00 -0.54 0.21 0.00 0.00 175.17 174.86 1by5 s LYS 470 N 0.35 1.44 -0.30 8.23 1.02 -1.26 -0.38 119.74 128.83 1by5 s LYS 470 Ca -0.03 -1.74 -0.16 0.00 0.02 0.00 0.00 55.97 54.06 1by5 s LYS 470 Cb -0.14 -0.73 0.17 0.00 -0.52 0.00 0.00 37.83 36.62 1by5 s LYS 470 CO 0.02 -0.10 1.09 0.50 -0.92 0.00 0.00 175.35 175.94 1by5 s ARG 471 N -3.86 0.21 -0.22 1.68 3.52 -0.83 -4.68 118.95 114.78 1by5 s ARG 471 Ca 0.31 0.49 -0.09 0.00 -0.13 0.00 0.00 55.73 56.31 1by5 s ARG 471 Cb 0.06 0.25 -0.04 0.00 -1.56 0.00 0.00 34.95 33.66 1by5 s ARG 471 CO 0.11 -0.07 0.11 -0.51 -0.81 0.00 0.00 175.30 174.13 1by5 s ASP 472 N 2.09 5.74 0.09 -2.12 1.01 -1.26 -2.11 116.67 120.10 1by5 s ASP 472 Ca -0.03 0.04 0.08 0.00 0.71 0.00 0.00 52.55 53.34 1by5 s ASP 472 Cb -0.04 -2.02 -0.04 0.00 1.01 0.00 0.00 42.92 41.84 1by5 s ASP 472 CO -0.16 0.08 -0.16 -1.81 0.21 0.00 0.00 175.17 173.33 1by5 s ASP 473 N 0.93 4.01 -0.19 0.27 1.11 0.07 -5.00 116.67 117.87 1by5 s ASP 473 Ca 0.05 -0.46 -0.02 0.00 0.18 0.00 0.00 52.55 52.31 1by5 s ASP 473 Cb -0.13 -0.66 0.06 0.00 1.07 0.00 0.00 42.92 43.26 1by5 s ASP 473 CO 0.03 0.21 0.01 -0.54 1.18 0.00 0.00 175.17 176.06 1by5 s LYS 474 N -1.91 0.90 -0.00 8.23 1.02 -1.26 -1.54 119.74 125.18 1by5 s LYS 474 Ca 0.18 -0.51 0.04 0.00 0.02 0.00 0.00 55.97 55.70 1by5 s LYS 474 Cb -0.11 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 1by5 s LYS 474 CO 0.09 -0.60 -0.12 -0.65 -0.92 0.00 0.00 175.35 173.16 1by5 s GLN 475 N 1.76 0.91 -0.07 1.68 -1.52 -0.84 -5.00 119.66 116.58 1by5 s GLN 475 Ca -0.01 -0.46 0.03 0.00 -1.95 0.00 0.00 55.36 52.97 1by5 s GLN 475 Cb -0.17 -0.88 -0.02 0.00 -0.22 0.00 0.00 33.01 31.73 1by5 s GLN 475 CO -0.07 0.24 -0.18 0.12 -0.25 0.00 0.00 175.29 175.15 1by5 s PHE 476 N -0.37 2.64 0.07 0.91 5.36 -1.26 -0.47 117.98 124.86 1by5 s PHE 476 Ca 0.04 -0.48 0.01 0.00 -0.96 0.00 0.00 56.93 55.54 1by5 s PHE 476 Cb -0.05 -1.68 -0.04 0.00 -0.34 0.00 0.00 43.02 40.92 1by5 s PHE 476 CO -0.00 -0.06 -0.06 0.95 -1.46 0.00 0.00 175.22 174.59 1by5 s THR 477 N -0.24 0.56 0.25 0.12 -4.23 -0.14 -5.01 115.64 106.95 1by5 s THR 477 Ca 0.00 -1.60 -0.08 0.00 -1.18 0.00 0.00 61.69 58.83 1by5 s THR 477 Cb -0.13 -1.26 -0.01 0.00 1.34 0.00 0.00 72.50 72.44 1by5 s THR 477 CO 0.03 -0.72 0.39 -1.66 -0.54 0.00 0.00 174.62 172.12 1by5 s TRP 478 N -2.85 0.68 -0.18 3.99 1.48 -1.26 -0.71 118.94 120.09 1by5 s TRP 478 Ca 0.03 -0.99 -0.15 0.00 -1.06 0.00 0.00 56.10 53.94 1by5 s TRP 478 Cb 0.00 -0.04 0.05 0.00 -1.16 0.00 0.00 33.47 32.32 1by5 s TRP 478 CO -0.04 -0.93 0.47 0.50 -4.06 0.00 0.00 176.95 172.90 1by5 s ARG 479 N -3.89 0.52 0.01 3.25 3.52 -0.81 -2.20 118.95 119.36 1by5 s ARG 479 Ca 0.28 0.73 0.01 0.00 -0.13 0.00 0.00 55.73 56.61 1by5 s ARG 479 Cb 0.01 0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 33.58 1by5 s ARG 479 CO 0.12 -0.09 -0.03 0.20 -0.81 0.00 0.00 175.30 174.68 1by5 s GLY 480 N 0.62 0.20 0.11 8.12 0.00 -0.10 -2.38 107.32 113.90 1by5 s GLY 480 Ca -0.03 -0.36 -0.25 0.00 0.00 0.00 0.00 44.72 44.07 1by5 s GLY 480 CO -0.04 -0.39 0.83 -0.32 0.00 0.00 0.00 173.10 173.18 1by5 s GLY 481 N -0.78 -0.38 -0.01 0.20 0.00 -0.80 0.17 107.32 105.72 1by5 s GLY 481 Ca -0.07 0.46 0.02 0.00 0.00 0.00 0.00 44.72 45.14 1by5 s GLY 481 CO -0.00 0.14 -0.07 0.14 0.00 0.00 0.00 173.10 173.31 1by5 s VAL 482 N -3.41 0.61 -0.04 1.40 1.01 0.13 -1.75 120.40 118.36 1by5 s VAL 482 Ca 0.07 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1by5 s VAL 482 Cb -0.02 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1by5 s VAL 482 CO -0.04 0.18 -0.20 0.20 0.00 0.00 0.00 175.10 175.24 1by5 s ASN 483 N -0.01 2.50 -0.19 3.32 0.02 -0.38 -1.76 114.94 118.44 1by5 s ASN 483 Ca 0.01 -0.41 -0.01 0.00 -1.02 0.00 0.00 52.86 51.43 1by5 s ASN 483 Cb -0.05 -0.61 0.00 0.00 0.02 0.00 0.00 41.25 40.62 1by5 s ASN 483 CO -0.00 0.20 -0.13 -0.47 0.02 0.00 0.00 177.10 176.72 1by5 s TYR 484 N -0.13 2.84 -0.57 2.20 5.04 -0.98 -1.55 117.35 124.20 1by5 s TYR 484 Ca -0.01 -1.24 -0.13 0.00 -2.44 0.00 0.00 57.07 53.25 1by5 s TYR 484 Cb -0.11 -1.97 0.14 0.00 0.35 0.00 0.00 41.96 40.37 1by5 s TYR 484 CO 0.02 -0.63 0.49 -0.51 -1.34 0.00 0.00 175.55 173.58 1by5 s LEU 485 N 1.22 6.09 0.34 6.97 1.02 -0.72 -3.29 118.68 130.31 1by5 s LEU 485 Ca 0.02 -2.02 -0.27 0.00 0.02 0.00 0.00 54.13 51.88 1by5 s LEU 485 Cb -0.14 -2.13 -0.09 0.00 0.02 0.00 0.00 46.19 43.85 1by5 s LEU 485 CO -0.06 -0.74 1.06 -0.36 0.02 0.00 0.00 176.35 176.27 1by5 s PHE 486 N 1.22 3.44 -1.28 0.29 0.08 -0.94 -4.86 117.98 115.93 1by5 s PHE 486 Ca 0.07 1.68 0.00 0.00 0.12 0.00 0.00 56.93 58.80 1by5 s PHE 486 Cb -0.25 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 1by5 s PHE 486 CO -0.00 -0.53 0.06 -0.25 -0.10 0.00 0.00 175.22 174.40 1by5 n ASP 487 N 0.54 0.07 -0.04 1.36 8.00 -1.26 -1.75 116.55 123.47 1by5 n ASP 487 Ca 0.02 -0.20 0.01 0.00 0.71 0.00 0.00 54.79 55.32 1by5 n ASP 487 Cb 0.47 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1by5 n ASP 487 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1by5 n ASN 488 N 0.18 1.02 0.00 -2.24 6.94 -1.26 -5.00 115.26 114.90 1by5 n ASN 488 Ca 0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 54.58 53.55 1by5 n ASN 488 Cb 0.02 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 1by5 n ASN 488 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1by5 n GLY 489 N 0.12 2.81 3.70 4.83 0.00 -0.72 -4.74 105.19 111.19 1by5 n GLY 489 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1by5 n GLY 489 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1by5 s VAL 490 N -2.69 4.23 -0.29 1.61 1.01 -1.26 -2.36 120.40 120.65 1by5 s VAL 490 Ca 0.00 1.57 -0.04 0.00 0.00 0.00 0.00 61.98 63.52 1by5 s VAL 490 Cb 0.00 -4.01 0.10 0.00 0.00 0.00 0.00 36.38 32.47 1by5 s VAL 490 CO 0.00 0.04 0.15 0.28 0.00 0.00 0.00 175.10 175.57 1by5 s THR 491 N 1.84 -0.11 1.16 3.92 -1.32 -0.04 -2.22 115.64 118.88 1by5 s THR 491 Ca 0.56 -0.73 -0.18 0.00 -1.21 0.00 0.00 61.69 60.14 1by5 s THR 491 Cb -0.26 -0.98 0.27 0.00 -1.51 0.00 0.00 72.50 70.02 1by5 s THR 491 CO 0.24 -0.70 1.12 -2.16 -2.21 0.00 0.00 174.62 170.92 1by5 s PRO 492 N 2.13 -0.87 -0.09 7.08 0.04 -1.21 -2.02 135.00 140.07 1by5 s PRO 492 Ca 0.09 -0.02 -0.33 0.00 0.04 0.00 0.00 61.00 60.79 1by5 s PRO 492 Cb -0.16 -1.63 0.14 0.00 0.04 0.00 0.00 34.50 32.89 1by5 s PRO 492 CO -0.36 -3.49 1.41 1.52 0.04 0.00 0.00 177.00 176.12 1by5 s TYR 493 N -3.07 -0.01 0.17 0.56 -0.85 -0.22 -2.31 117.35 111.62 1by5 s TYR 493 Ca 0.70 -0.01 -0.22 0.00 -0.52 0.00 0.00 57.07 57.02 1by5 s TYR 493 Cb -0.10 0.51 0.06 0.00 0.38 0.00 0.00 41.96 42.80 1by5 s TYR 493 CO 0.56 -0.06 0.58 -0.59 -1.52 0.00 0.00 175.55 174.52 1by5 s PHE 494 N -2.10 -0.45 0.02 -3.49 -0.12 -0.72 -1.31 117.98 109.82 1by5 s PHE 494 Ca 0.15 0.19 -0.28 0.00 -0.05 0.00 0.00 56.93 56.94 1by5 s PHE 494 Cb 0.07 0.53 0.10 0.00 -0.63 0.00 0.00 43.02 43.08 1by5 s PHE 494 CO -0.06 -0.87 0.95 -1.54 -0.05 0.00 0.00 175.22 173.65 1by5 s SER 495 N -2.78 -0.29 -0.08 1.98 1.04 -0.09 -0.69 113.70 112.80 1by5 s SER 495 Ca 0.03 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1by5 s SER 495 Cb -0.01 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.52 1by5 s SER 495 CO -0.11 -0.66 -0.06 -0.47 0.98 0.00 0.00 173.24 172.93 1by5 s TYR 496 N -3.09 1.09 0.05 5.02 5.04 0.13 -1.49 117.35 124.10 1by5 s TYR 496 Ca 0.08 -0.43 0.02 0.00 -2.44 0.00 0.00 57.07 54.30 1by5 s TYR 496 Cb -0.01 -0.95 -0.02 0.00 0.35 0.00 0.00 41.96 41.33 1by5 s TYR 496 CO -0.06 -0.34 -0.08 -1.54 -1.34 0.00 0.00 175.55 172.20 1by5 s SER 497 N 1.34 0.92 0.29 4.32 1.04 -0.91 -0.93 113.70 119.78 1by5 s SER 497 Ca -0.03 -0.56 0.08 0.00 0.48 0.00 0.00 55.95 55.91 1by5 s SER 497 Cb -0.14 0.03 -0.06 0.00 0.10 0.00 0.00 66.02 65.96 1by5 s SER 497 CO -0.03 -0.20 -0.08 -1.61 0.98 0.00 0.00 173.24 172.30 1by5 s GLU 498 N -1.64 1.62 0.23 4.02 2.02 -0.93 -1.48 118.70 122.54 1by5 s GLU 498 Ca -0.09 -1.82 -0.19 0.00 0.02 0.00 0.00 54.97 52.89 1by5 s GLU 498 Cb -0.10 -1.32 0.02 0.00 0.10 0.00 0.00 34.13 32.84 1by5 s GLU 498 CO 0.00 0.08 0.60 -1.54 0.02 0.00 0.00 175.26 174.43 1by5 s SER 499 N -3.48 -0.27 0.01 -0.19 1.04 -0.12 -3.54 113.70 107.15 1by5 s SER 499 Ca 0.30 -0.54 -0.06 0.00 0.48 0.00 0.00 55.95 56.13 1by5 s SER 499 Cb 0.03 0.64 -0.00 0.00 0.10 0.00 0.00 66.02 66.79 1by5 s SER 499 CO 0.13 -1.18 0.11 0.72 0.98 0.00 0.00 173.24 174.00 1by5 s PHE 500 N -3.90 0.09 -0.24 5.02 -0.71 -1.26 -0.30 117.98 116.68 1by5 s PHE 500 Ca 0.11 -0.24 -0.04 0.00 -1.04 0.00 0.00 56.93 55.72 1by5 s PHE 500 Cb -0.03 -0.08 0.09 0.00 -1.21 0.00 0.00 43.02 41.79 1by5 s PHE 500 CO 0.02 -0.28 0.15 -2.00 -1.34 0.00 0.00 175.22 171.77 1by5 s GLU 501 N -1.55 0.17 0.79 1.99 2.12 -0.27 -1.59 118.70 120.36 1by5 s GLU 501 Ca -0.14 -0.26 -0.15 0.00 0.36 0.00 0.00 54.97 54.79 1by5 s GLU 501 Cb -0.07 -1.29 -0.00 0.00 0.26 0.00 0.00 34.13 33.02 1by5 s GLU 501 CO 0.00 -0.87 0.60 -2.30 -0.54 0.00 0.00 175.26 172.15 1by5 n PRO 502 N 5.28 0.15 -3.93 4.30 -0.02 -1.26 -1.82 135.00 137.70 1by5 n PRO 502 Ca -0.06 0.10 -0.21 0.00 -2.02 0.00 0.00 63.50 61.31 1by5 n PRO 502 Cb 0.46 -1.93 -0.04 0.00 -0.02 0.00 0.00 33.50 31.97 1by5 n PRO 502 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1by5 s SER 503 N -1.69 5.41 0.00 2.55 0.15 -1.26 -4.81 113.70 114.06 1by5 s SER 503 Ca 0.65 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1by5 s SER 503 Cb -0.31 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 1by5 s SER 503 CO 0.59 -0.22 0.77 -1.54 1.20 0.00 0.00 173.24 174.03 1by5 n SER 504 N -1.30 1.27 -4.85 5.45 3.41 -1.26 -4.80 113.62 111.54 1by5 n SER 504 Ca -0.04 -1.58 -0.34 0.00 -0.26 0.00 0.00 58.87 56.64 1by5 n SER 504 Cb 0.59 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.48 1by5 n SER 504 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1by5 s GLN 505 N -0.58 3.97 0.08 4.33 -1.52 -1.26 -4.99 119.66 119.69 1by5 s GLN 505 Ca 0.00 0.51 0.06 0.00 -1.95 0.00 0.00 55.36 53.98 1by5 s GLN 505 Cb 0.00 -2.78 -0.04 0.00 -0.22 0.00 0.00 33.01 29.98 1by5 s GLN 505 CO 0.00 0.38 -0.06 0.08 -0.25 0.00 0.00 175.29 175.44 1by5 s VAL 506 N -1.64 3.66 0.32 1.09 1.01 -1.26 -1.55 120.40 122.03 1by5 s VAL 506 Ca 0.43 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1by5 s VAL 506 Cb -0.13 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1by5 s VAL 506 CO 0.20 0.16 0.17 0.61 0.00 0.00 0.00 175.10 176.24 1by5 n GLY 507 N 0.78 3.14 0.37 4.51 0.00 0.46 -4.75 105.19 109.71 1by5 n GLY 507 Ca -0.13 -2.26 -0.00 0.00 0.00 0.00 0.00 46.02 43.62 1by5 n GLY 507 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1by5 h LYS 508 N 0.00 -0.03 -0.12 1.61 1.57 -1.88 0.52 116.57 118.24 1by5 h LYS 508 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1by5 h LYS 508 Cb 0.76 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1by5 h LYS 508 CO 0.35 -0.02 0.00 -0.40 -0.57 0.00 0.00 179.45 178.82 1by5 n ASP 509 N -5.49 0.12 -2.54 0.86 5.68 -1.26 -4.81 116.55 109.11 1by5 n ASP 509 Ca 0.10 -0.99 -0.19 0.00 -0.50 0.00 0.00 54.79 53.21 1by5 n ASP 509 Cb 0.41 -0.06 0.03 0.00 -1.14 0.00 0.00 41.12 40.36 1by5 n ASP 509 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1by5 n GLY 510 N 0.06 -0.35 3.23 6.12 0.00 0.18 -5.01 105.19 109.42 1by5 n GLY 510 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1by5 n GLY 510 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1by5 s ASN 511 N -2.68 2.17 0.18 1.61 0.02 -1.25 -4.86 114.94 110.14 1by5 s ASN 511 Ca 0.23 -0.62 -0.30 0.00 -1.02 0.00 0.00 52.86 51.14 1by5 s ASN 511 Cb -0.10 -0.11 -0.08 0.00 0.02 0.00 0.00 41.25 40.98 1by5 s ASN 511 CO 0.28 0.02 1.13 -0.63 0.02 0.00 0.00 177.10 177.92 1by5 s ILE 512 N -1.13 3.78 1.23 0.60 1.01 -1.26 -0.40 121.20 125.04 1by5 s ILE 512 Ca 0.03 1.53 -0.16 0.00 0.00 0.00 0.00 60.65 62.06 1by5 s ILE 512 Cb -0.10 -3.98 0.31 0.00 0.01 0.00 0.00 42.46 38.70 1by5 s ILE 512 CO 0.03 0.26 1.01 -0.36 0.00 0.00 0.00 174.94 175.88 1by5 s PHE 513 N -0.19 0.88 0.43 3.97 0.08 -0.59 -4.93 117.98 117.63 1by5 s PHE 513 Ca 0.50 0.97 -0.12 0.00 0.12 0.00 0.00 56.93 58.39 1by5 s PHE 513 Cb -0.30 -3.07 -0.07 0.00 -0.57 0.00 0.00 43.02 39.01 1by5 s PHE 513 CO 0.35 -4.14 0.83 0.00 -0.10 0.00 0.00 175.22 172.17 1by5 s ALA 514 N -2.47 3.27 0.34 5.36 0.00 -1.26 -4.48 121.76 122.52 1by5 s ALA 514 Ca 0.68 -0.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.28 1by5 s ALA 514 Cb -0.21 -2.83 -0.10 0.00 0.00 0.00 0.00 23.12 19.98 1by5 s ALA 514 CO 0.62 -0.06 1.33 -1.25 0.00 0.00 0.00 175.76 176.41 1by5 s PRO 515 N -3.87 4.31 0.85 0.00 0.04 -1.26 -4.48 135.00 130.59 1by5 s PRO 515 Ca 0.54 2.26 -0.12 0.00 0.04 0.00 0.00 61.00 63.71 1by5 s PRO 515 Cb -0.10 -3.05 0.10 0.00 0.04 0.00 0.00 34.50 31.50 1by5 s PRO 515 CO 0.31 -0.24 1.13 -1.54 0.04 0.00 0.00 177.00 176.70 1by5 s SER 516 N -0.45 4.05 0.21 6.66 1.04 -0.75 -4.78 113.70 119.68 1by5 s SER 516 Ca 0.50 1.02 0.04 0.00 0.48 0.00 0.00 55.95 57.98 1by5 s SER 516 Cb -0.41 -1.64 -0.05 0.00 0.10 0.00 0.00 66.02 64.03 1by5 s SER 516 CO 0.54 -2.21 -0.02 -0.54 0.98 0.00 0.00 173.24 171.99 1by5 s LYS 517 N -5.31 1.28 -0.04 4.02 1.02 -0.30 -1.11 119.74 119.30 1by5 s LYS 517 Ca 0.62 -1.63 0.02 0.00 0.02 0.00 0.00 55.97 55.00 1by5 s LYS 517 Cb -0.14 -0.60 0.01 0.00 -0.52 0.00 0.00 37.83 36.59 1by5 s LYS 517 CO 0.53 -0.07 -0.08 0.20 -0.92 0.00 0.00 175.35 175.01 1by5 s GLY 518 N -3.27 0.53 -0.05 -3.33 0.00 0.59 -1.48 107.32 100.31 1by5 s GLY 518 Ca 0.26 -0.25 -0.00 0.00 0.00 0.00 0.00 44.72 44.73 1by5 s GLY 518 CO 0.07 0.10 -0.00 0.54 0.00 0.00 0.00 173.10 173.81 1by5 s LYS 519 N 0.47 0.47 0.00 2.90 1.02 -0.82 -0.95 119.74 122.83 1by5 s LYS 519 Ca -0.07 0.08 0.03 0.00 0.02 0.00 0.00 55.97 56.03 1by5 s LYS 519 Cb -0.11 -0.71 -0.01 0.00 -0.52 0.00 0.00 37.83 36.47 1by5 s LYS 519 CO 0.01 -0.20 -0.11 -1.14 -0.92 0.00 0.00 175.35 172.99 1by5 s GLN 520 N 1.41 0.83 -0.07 1.68 0.74 -0.55 -1.68 119.66 122.03 1by5 s GLN 520 Ca -0.04 -0.46 0.04 0.00 0.05 0.00 0.00 55.36 54.95 1by5 s GLN 520 Cb -0.13 -0.80 -0.02 0.00 1.10 0.00 0.00 33.01 33.16 1by5 s GLN 520 CO -0.03 0.21 -0.19 0.71 -0.55 0.00 0.00 175.29 175.45 1by5 s TYR 521 N -0.41 2.60 -0.06 1.67 2.02 -0.68 -2.14 117.35 120.36 1by5 s TYR 521 Ca 0.03 -0.52 -0.06 0.00 -0.37 0.00 0.00 57.07 56.15 1by5 s TYR 521 Cb -0.05 -1.66 0.01 0.00 -0.40 0.00 0.00 41.96 39.86 1by5 s TYR 521 CO -0.00 -0.09 0.16 -2.00 -1.57 0.00 0.00 175.55 172.06 1by5 s GLU 522 N -0.24 0.21 0.01 -0.62 2.12 -0.56 -0.30 118.70 119.32 1by5 s GLU 522 Ca -0.00 0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.53 1by5 s GLU 522 Cb -0.13 0.10 -0.01 0.00 0.26 0.00 0.00 34.13 34.35 1by5 s GLU 522 CO 0.03 -0.03 -0.07 0.08 -0.54 0.00 0.00 175.26 174.73 1by5 s VAL 523 N -0.02 0.54 0.03 3.70 1.01 -0.29 -0.91 120.40 124.46 1by5 s VAL 523 Ca -0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1by5 s VAL 523 Cb -0.02 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1by5 s VAL 523 CO 0.00 0.04 0.24 0.61 0.00 0.00 0.00 175.10 175.99 1by5 n GLY 524 N 2.59 1.05 3.08 4.51 0.00 -0.43 -0.33 105.19 115.66 1by5 n GLY 524 Ca -0.15 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 1by5 n GLY 524 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1by5 s VAL 525 N -2.40 0.08 -0.04 1.61 1.01 -0.79 -1.06 120.40 118.81 1by5 s VAL 525 Ca 0.05 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1by5 s VAL 525 Cb -0.01 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 36.01 1by5 s VAL 525 CO 0.01 -0.35 -0.05 -0.54 0.00 0.00 0.00 175.10 174.17 1by5 s LYS 526 N -1.24 0.78 -0.25 2.72 1.02 -0.86 -1.78 119.74 120.14 1by5 s LYS 526 Ca -0.13 -0.13 -0.03 0.00 0.02 0.00 0.00 55.97 55.70 1by5 s LYS 526 Cb -0.07 -0.78 0.01 0.00 -0.52 0.00 0.00 37.83 36.47 1by5 s LYS 526 CO 0.01 -0.04 -0.03 -0.47 -0.92 0.00 0.00 175.35 173.90 1by5 s TYR 527 N 0.72 3.04 -0.36 3.18 5.04 0.03 -0.86 117.35 128.14 1by5 s TYR 527 Ca -0.10 -1.23 0.01 0.00 -2.44 0.00 0.00 57.07 53.32 1by5 s TYR 527 Cb -0.13 -2.11 0.15 0.00 0.35 0.00 0.00 41.96 40.22 1by5 s TYR 527 CO 0.00 -0.64 0.26 0.08 -1.34 0.00 0.00 175.55 173.91 1by5 s VAL 528 N 1.41 0.06 0.32 3.14 1.01 -1.00 -2.15 120.40 123.20 1by5 s VAL 528 Ca 0.03 -1.68 -0.29 0.00 0.00 0.00 0.00 61.98 60.04 1by5 s VAL 528 Cb -0.16 -1.04 -0.10 0.00 0.00 0.00 0.00 36.38 35.09 1by5 s VAL 528 CO -0.03 -0.94 1.20 -2.16 0.00 0.00 0.00 175.10 173.17 1by5 s PRO 529 N 1.02 4.44 0.00 2.72 0.04 -1.26 -4.66 135.00 137.30 1by5 s PRO 529 Ca 0.20 1.99 0.31 0.00 0.04 0.00 0.00 61.00 63.54 1by5 s PRO 529 Cb -0.19 -3.07 1.62 0.00 0.04 0.00 0.00 34.50 32.90 1by5 s PRO 529 CO -0.02 -0.04 2.08 -0.85 0.04 0.00 0.00 177.00 178.21 1by5 n GLU 530 N 0.87 0.93 -0.10 4.56 0.28 -1.26 -3.68 120.64 122.24 1by5 n GLU 530 Ca 0.00 -0.16 -0.14 0.00 -0.16 0.00 0.00 57.16 56.70 1by5 n GLU 530 Cb 0.44 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.71 1by5 n GLU 530 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1by5 n ASP 531 N -0.89 2.18 -4.79 -1.84 5.75 -1.26 -5.00 116.55 110.70 1by5 n ASP 531 Ca 0.20 -0.10 -0.31 0.00 -0.01 0.00 0.00 54.79 54.57 1by5 n ASP 531 Cb 0.19 -0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 1by5 n ASP 531 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1by5 s ARG 532 N -2.42 2.96 -0.74 0.11 1.81 -1.24 -5.02 118.95 114.41 1by5 s ARG 532 Ca -0.26 -0.63 -0.06 0.00 -1.72 0.00 0.00 55.73 53.06 1by5 s ARG 532 Cb 0.07 -2.78 -0.04 0.00 -0.45 0.00 0.00 34.95 31.75 1by5 s ARG 532 CO 0.51 0.58 2.95 -2.30 -0.68 0.00 0.00 175.30 176.37 1by5 n PRO 533 N 0.57 3.03 -4.40 3.54 -0.02 -1.26 -4.47 135.00 131.99 1by5 n PRO 533 Ca -0.09 -2.22 -0.28 0.00 -2.02 0.00 0.00 63.50 58.89 1by5 n PRO 533 Cb 0.52 -2.33 -0.13 0.00 -0.02 0.00 0.00 33.50 31.54 1by5 n PRO 533 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1by5 s ILE 534 N -0.35 2.26 -0.08 4.25 -4.36 -1.26 -3.53 121.20 118.13 1by5 s ILE 534 Ca 0.62 -1.84 -0.03 0.00 -0.26 0.00 0.00 60.65 59.13 1by5 s ILE 534 Cb 0.28 -2.02 0.05 0.00 1.25 0.00 0.00 42.46 42.02 1by5 s ILE 534 CO -0.11 0.01 0.17 -0.69 0.24 0.00 0.00 174.94 174.56 1by5 s VAL 535 N -1.27 -0.22 -0.03 8.37 1.01 -0.47 -4.19 120.40 123.59 1by5 s VAL 535 Ca 0.16 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.46 1by5 s VAL 535 Cb -0.09 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.01 1by5 s VAL 535 CO 0.07 0.13 -0.06 -0.69 0.00 0.00 0.00 175.10 174.55 1by5 s VAL 536 N 2.05 0.59 0.08 2.92 1.01 -0.91 -1.06 120.40 125.08 1by5 s VAL 536 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1by5 s VAL 536 Cb -0.12 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1by5 s VAL 536 CO -0.06 0.22 -0.12 -0.89 0.00 0.00 0.00 175.10 174.25 1by5 s THR 537 N 0.57 1.02 -0.02 3.92 2.01 0.23 -0.79 115.64 122.58 1by5 s THR 537 Ca -0.08 -1.45 -0.10 0.00 0.31 0.00 0.00 61.69 60.38 1by5 s THR 537 Cb -0.11 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.23 1by5 s THR 537 CO 0.00 -0.38 0.20 -0.83 -0.69 0.00 0.00 174.62 172.92 1by5 s GLY 538 N -2.05 -0.04 -0.02 4.40 0.00 -0.73 -0.06 107.32 108.81 1by5 s GLY 538 Ca 0.01 0.12 -0.29 0.00 0.00 0.00 0.00 44.72 44.55 1by5 s GLY 538 CO 0.01 -0.04 0.68 0.00 0.00 0.00 0.00 173.10 173.76 1by5 s ALA 539 N -1.15 -1.75 -0.02 3.20 0.00 0.87 -1.88 121.76 121.03 1by5 s ALA 539 Ca -0.12 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.04 1by5 s ALA 539 Cb -0.06 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 1by5 s ALA 539 CO 0.02 -0.45 -0.12 0.08 0.00 0.00 0.00 175.76 175.29 1by5 s VAL 540 N -1.70 1.00 0.15 0.00 1.01 0.55 -1.43 120.40 119.98 1by5 s VAL 540 Ca -0.08 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1by5 s VAL 540 Cb -0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 1by5 s VAL 540 CO 0.05 0.29 0.25 -0.72 0.00 0.00 0.00 175.10 174.98 1by5 s TYR 541 N -0.05 0.36 -0.33 5.22 -0.85 -1.03 -1.14 117.35 119.53 1by5 s TYR 541 Ca 0.00 -0.74 -0.01 0.00 -0.52 0.00 0.00 57.07 55.80 1by5 s TYR 541 Cb -0.08 -0.07 0.11 0.00 0.38 0.00 0.00 41.96 42.30 1by5 s TYR 541 CO 0.00 -0.67 0.15 1.21 -1.52 0.00 0.00 175.55 174.72 1by5 s ASN 542 N -2.95 3.63 -0.11 -0.18 2.47 0.58 -2.98 114.94 115.41 1by5 s ASN 542 Ca 0.15 -1.80 -0.04 0.00 0.42 0.00 0.00 52.86 51.59 1by5 s ASN 542 Cb 0.04 -0.66 -0.04 0.00 -1.45 0.00 0.00 41.25 39.15 1by5 s ASN 542 CO -0.02 -0.38 0.05 -0.22 -3.72 0.00 0.00 177.10 172.80 1by5 s LEU 543 N 1.45 3.82 -0.05 3.21 2.96 0.11 -1.68 118.68 128.50 1by5 s LEU 543 Ca 0.12 0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 54.21 1by5 s LEU 543 Cb -0.19 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.62 1by5 s LEU 543 CO -0.19 0.35 0.12 0.28 -1.32 0.00 0.00 176.35 175.58 1by5 s THR 544 N -0.68 -0.02 -0.29 3.68 -1.32 -0.67 0.23 115.64 116.56 1by5 s THR 544 Ca 0.11 0.08 -0.05 0.00 -1.21 0.00 0.00 61.69 60.62 1by5 s THR 544 Cb -0.12 -0.18 0.02 0.00 -1.51 0.00 0.00 72.50 70.71 1by5 s THR 544 CO 0.02 0.03 0.05 -0.75 -2.21 0.00 0.00 174.62 171.76 1by5 s LYS 545 N 0.53 2.98 0.32 7.08 2.20 0.29 -1.95 119.74 131.19 1by5 s LYS 545 Ca -0.04 -0.92 0.07 0.00 -0.36 0.00 0.00 55.97 54.72 1by5 s LYS 545 Cb -0.05 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.96 1by5 s LYS 545 CO -0.02 -0.45 0.32 0.95 -0.36 0.00 0.00 175.35 175.78 1by5 s THR 546 N 1.44 3.88 -1.41 3.43 -4.23 -0.55 -1.69 115.64 116.51 1by5 s THR 546 Ca 0.01 -1.28 -0.05 0.00 -1.18 0.00 0.00 61.69 59.20 1by5 s THR 546 Cb -0.17 -3.30 0.01 0.00 1.34 0.00 0.00 72.50 70.37 1by5 s THR 546 CO 0.01 -0.21 0.65 -3.20 -0.54 0.00 0.00 174.62 171.33 1by5 n ASN 547 N -1.40 -5.84 -4.80 3.99 5.15 -0.63 -1.15 115.26 110.58 1by5 n ASN 547 Ca -0.03 -0.30 -0.34 0.00 -0.60 0.00 0.00 54.58 53.31 1by5 n ASN 547 Cb 0.59 -4.63 -0.04 0.00 -0.53 0.00 0.00 39.78 35.17 1by5 n ASN 547 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1by5 s ASN 548 N -2.82 6.47 0.28 1.20 2.47 -0.09 -4.22 114.94 118.22 1by5 s ASN 548 Ca 0.32 1.87 -0.28 0.00 0.42 0.00 0.00 52.86 55.19 1by5 s ASN 548 Cb -0.14 -2.55 -0.09 0.00 -1.45 0.00 0.00 41.25 37.01 1by5 s ASN 548 CO 0.40 -0.69 0.93 -0.76 -3.72 0.00 0.00 177.10 173.26 1by5 s LEU 549 N -3.44 4.49 0.27 3.21 1.43 -1.26 0.28 118.68 123.65 1by5 s LEU 549 Ca 0.66 1.88 -0.04 0.00 -1.03 0.00 0.00 54.13 55.59 1by5 s LEU 549 Cb -0.15 -3.80 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 1by5 s LEU 549 CO 0.19 0.05 0.36 0.00 0.23 0.00 0.00 176.35 177.17 1by5 s MET 550 N -1.63 1.58 0.54 1.70 0.23 0.23 -4.83 119.30 117.11 1by5 s MET 550 Ca 0.45 -1.59 -0.22 0.00 -1.03 0.00 0.00 55.69 53.31 1by5 s MET 550 Cb -0.22 0.39 -0.05 0.00 -1.53 0.00 0.00 34.83 33.42 1by5 s MET 550 CO 0.28 -0.62 1.33 0.00 -2.03 0.00 0.00 175.02 173.98 1by5 s ALA 551 N -3.71 2.83 0.01 3.16 0.00 -1.26 0.47 121.76 123.26 1by5 s ALA 551 Ca 0.31 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 53.24 1by5 s ALA 551 Cb 0.02 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1by5 s ALA 551 CO 0.15 -1.27 1.10 0.34 0.00 0.00 0.00 175.76 176.08 1by5 s ASP 552 N -1.02 7.21 0.00 0.00 2.15 -1.23 -4.54 116.67 119.24 1by5 s ASP 552 Ca 0.71 1.81 0.07 0.00 0.43 0.00 0.00 52.55 55.56 1by5 s ASP 552 Cb -0.39 -2.57 0.34 0.00 -0.30 0.00 0.00 42.92 40.00 1by5 s ASP 552 CO 0.46 -0.40 1.10 -2.65 -0.17 0.00 0.00 175.17 173.50 1by5 n PRO 553 N 4.16 0.08 -0.10 4.34 -0.02 -1.26 -1.07 135.00 141.13 1by5 n PRO 553 Ca 0.08 0.24 -0.16 0.00 -2.02 0.00 0.00 63.50 61.64 1by5 n PRO 553 Cb 0.48 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.33 1by5 n PRO 553 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1by5 n GLU 554 N -1.32 0.67 -1.35 -0.52 -0.58 -1.26 -5.04 120.64 111.25 1by5 n GLU 554 Ca 0.03 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1by5 n GLU 554 Cb 0.06 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1by5 n GLU 554 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1by5 n GLY 555 N 2.08 0.67 1.94 0.62 0.00 -0.23 -5.00 105.19 105.27 1by5 n GLY 555 Ca -0.40 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 1by5 n GLY 555 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1by5 n SER 556 N -0.94 4.14 0.00 1.61 3.41 -1.26 -4.89 113.62 115.69 1by5 n SER 556 Ca 0.00 -3.70 0.00 0.00 -0.26 0.00 0.00 58.87 54.91 1by5 n SER 556 Cb 0.38 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1by5 n SER 556 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1by5 n PHE 557 N -1.08 0.00 -3.85 7.33 3.72 -1.26 -4.92 117.46 117.39 1by5 n PHE 557 Ca 0.52 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.71 1by5 n PHE 557 Cb 1.28 -1.45 -0.04 0.00 -0.94 0.00 0.00 39.48 38.34 1by5 n PHE 557 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1by5 s PHE 558 N -1.21 2.84 0.18 1.38 0.40 -1.26 -5.09 117.98 115.22 1by5 s PHE 558 Ca 0.00 -0.34 0.05 0.00 -0.60 0.00 0.00 56.93 56.04 1by5 s PHE 558 Cb 0.00 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 1by5 s PHE 558 CO 0.00 0.19 0.15 0.45 0.70 0.00 0.00 175.22 176.71 1by5 s SER 559 N -3.98 5.53 0.42 1.36 0.15 -1.26 -3.47 113.70 112.45 1by5 s SER 559 Ca 0.41 -0.15 0.06 0.00 0.70 0.00 0.00 55.95 56.97 1by5 s SER 559 Cb -0.05 -1.44 -0.07 0.00 -1.71 0.00 0.00 66.02 62.76 1by5 s SER 559 CO 0.26 0.05 0.01 0.54 1.20 0.00 0.00 173.24 175.30 1by5 s VAL 560 N -1.82 1.81 0.52 4.45 0.11 0.18 -4.74 120.40 120.91 1by5 s VAL 560 Ca 0.31 -2.00 0.08 0.00 -2.93 0.00 0.00 61.98 57.44 1by5 s VAL 560 Cb -0.10 -2.86 0.08 0.00 -1.53 0.00 0.00 36.38 31.98 1by5 s VAL 560 CO 0.24 0.00 0.65 -0.62 -3.33 0.00 0.00 175.10 172.04 1by5 n GLU 561 N -1.00 0.66 -0.42 1.54 1.02 -1.26 -0.60 120.64 120.59 1by5 n GLU 561 Ca -0.07 -2.90 0.00 0.00 -0.02 0.00 0.00 57.16 54.17 1by5 n GLU 561 Cb 0.67 -0.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 1by5 n GLU 561 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1by5 n GLY 562 N -1.34 0.73 3.71 0.62 0.00 -1.21 -4.78 105.19 102.92 1by5 n GLY 562 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1by5 n GLY 562 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1by5 s GLY 563 N -1.57 1.61 -0.22 -0.02 0.00 0.14 -4.63 107.32 102.63 1by5 s GLY 563 Ca 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 44.72 44.45 1by5 s GLY 563 CO 0.00 0.40 0.55 1.85 0.00 0.00 0.00 173.10 175.91 1by5 s GLU 564 N -4.93 0.61 -0.02 2.90 2.12 0.36 -0.91 118.70 118.82 1by5 s GLU 564 Ca 0.64 0.88 0.05 0.00 0.36 0.00 0.00 54.97 56.90 1by5 s GLU 564 Cb -0.18 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 1by5 s GLU 564 CO 0.57 -0.11 -0.17 0.42 -0.54 0.00 0.00 175.26 175.43 1by5 s ILE 565 N 0.84 1.37 -0.07 -3.70 1.01 -0.68 -1.13 121.20 118.83 1by5 s ILE 565 Ca -0.04 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 59.93 1by5 s ILE 565 Cb -0.05 -1.15 -0.00 0.00 0.01 0.00 0.00 42.46 41.27 1by5 s ILE 565 CO -0.07 0.39 -0.22 -0.60 0.00 0.00 0.00 174.94 174.44 1by5 s ARG 566 N -0.31 2.45 -0.04 2.79 3.00 0.12 -0.55 118.95 126.41 1by5 s ARG 566 Ca 0.04 -0.80 0.03 0.00 -1.00 0.00 0.00 55.73 54.01 1by5 s ARG 566 Cb -0.08 -2.01 0.00 0.00 0.00 0.00 0.00 34.95 32.87 1by5 s ARG 566 CO -0.00 0.27 -0.13 0.00 0.00 0.00 0.00 175.30 175.44 1by5 s ALA 567 N 0.07 1.21 -0.12 6.12 0.00 0.13 0.13 121.76 129.31 1by5 s ALA 567 Ca -0.08 -0.49 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 1by5 s ALA 567 Cb -0.14 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.56 1by5 s ALA 567 CO 0.05 0.19 0.33 -0.98 0.00 0.00 0.00 175.76 175.34 1by5 s ARG 568 N 0.23 0.40 0.01 0.00 1.70 -0.74 0.06 118.95 120.62 1by5 s ARG 568 Ca -0.06 0.41 -0.09 0.00 -0.47 0.00 0.00 55.73 55.53 1by5 s ARG 568 Cb -0.11 0.19 0.03 0.00 -0.57 0.00 0.00 34.95 34.49 1by5 s ARG 568 CO 0.02 -0.05 0.42 0.41 -1.08 0.00 0.00 175.30 175.01 1by5 n GLY 569 N 2.80 0.65 3.20 3.88 0.00 -1.16 -0.64 105.19 113.92 1by5 n GLY 569 Ca -0.13 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 1by5 n GLY 569 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1by5 s VAL 570 N -2.19 1.48 -0.01 1.61 1.01 0.17 -2.47 120.40 120.01 1by5 s VAL 570 Ca 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1by5 s VAL 570 Cb -0.00 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1by5 s VAL 570 CO 0.00 0.25 -0.00 -1.61 0.00 0.00 0.00 175.10 173.74 1by5 s GLU 571 N -0.87 0.08 -0.06 2.72 2.02 -0.51 -0.63 118.70 121.45 1by5 s GLU 571 Ca 0.06 0.02 -0.02 0.00 0.02 0.00 0.00 54.97 55.05 1by5 s GLU 571 Cb -0.08 -0.16 0.04 0.00 0.10 0.00 0.00 34.13 34.03 1by5 s GLU 571 CO 0.01 -0.04 0.12 -1.50 0.02 0.00 0.00 175.26 173.88 1by5 s ILE 572 N 0.33 -0.06 0.02 -1.63 1.10 -0.75 -0.09 121.20 120.12 1by5 s ILE 572 Ca -0.03 0.19 0.03 0.00 -0.51 0.00 0.00 60.65 60.33 1by5 s ILE 572 Cb -0.05 -0.21 -0.02 0.00 0.15 0.00 0.00 42.46 42.34 1by5 s ILE 572 CO -0.01 0.08 -0.09 -0.70 -2.11 0.00 0.00 174.94 172.11 1by5 s GLU 573 N 1.20 0.62 -0.02 3.50 2.12 0.91 -0.55 118.70 126.47 1by5 s GLU 573 Ca -0.09 -0.55 -0.02 0.00 0.36 0.00 0.00 54.97 54.67 1by5 s GLU 573 Cb -0.12 -0.53 0.01 0.00 0.26 0.00 0.00 34.13 33.75 1by5 s GLU 573 CO -0.05 0.13 0.06 0.00 -0.54 0.00 0.00 175.26 174.85 1by5 s ALA 574 N -0.78 -0.15 -0.16 6.30 0.00 -0.30 0.74 121.76 127.41 1by5 s ALA 574 Ca -0.02 0.18 -0.09 0.00 0.00 0.00 0.00 51.96 52.03 1by5 s ALA 574 Cb -0.07 -0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.01 1by5 s ALA 574 CO 0.00 -0.03 0.39 0.15 0.00 0.00 0.00 175.76 176.27 1by5 s LYS 575 N 0.05 0.36 -0.24 0.00 1.02 -0.22 -1.49 119.74 119.21 1by5 s LYS 575 Ca -0.00 0.76 -0.29 0.00 0.02 0.00 0.00 55.97 56.46 1by5 s LYS 575 Cb -0.01 -0.03 0.17 0.00 -0.52 0.00 0.00 37.83 37.44 1by5 s LYS 575 CO 0.00 -0.16 1.23 -0.98 -0.92 0.00 0.00 175.35 174.51 1by5 s ARG 576 N 1.43 0.27 -0.90 1.68 1.70 -0.05 -1.36 118.95 121.71 1by5 s ARG 576 Ca -0.09 0.10 -0.12 0.00 -0.47 0.00 0.00 55.73 55.16 1by5 s ARG 576 Cb -0.09 0.13 0.23 0.00 -0.57 0.00 0.00 34.95 34.65 1by5 s ARG 576 CO -0.12 -0.08 0.85 -1.25 -1.08 0.00 0.00 175.30 173.63 1by5 s PRO 577 N -0.84 3.72 0.44 3.89 0.04 -1.23 -0.33 135.00 140.69 1by5 s PRO 577 Ca 0.05 -2.72 0.23 0.00 0.04 0.00 0.00 61.00 58.60 1by5 s PRO 577 Cb -0.02 -4.41 1.23 0.00 0.04 0.00 0.00 34.50 31.35 1by5 s PRO 577 CO -0.05 -1.27 1.80 -0.07 0.04 0.00 0.00 177.00 177.44 1by5 h LEU 578 N 7.34 0.30 0.00 -3.56 4.07 -1.76 -3.44 115.31 118.26 1by5 h LEU 578 Ca 0.13 0.05 -0.12 0.00 0.08 0.00 0.00 57.88 58.02 1by5 h LEU 578 Cb 0.98 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.69 1by5 h LEU 578 CO 0.83 0.07 -0.08 -1.54 -1.08 0.00 0.00 178.44 176.64 1by5 n SER 579 N -4.49 -0.44 0.04 -0.43 3.41 -1.21 -5.01 113.62 105.50 1by5 n SER 579 Ca 0.24 -1.70 0.12 0.00 -0.26 0.00 0.00 58.87 57.27 1by5 n SER 579 Cb 0.95 0.84 0.48 0.00 -0.26 0.00 0.00 64.21 66.23 1by5 n SER 579 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1by5 n ALA 580 N -2.17 2.08 0.07 7.33 0.00 -1.26 -3.38 120.51 123.17 1by5 n ALA 580 Ca -0.05 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1by5 n ALA 580 Cb 0.21 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.27 1by5 n ALA 580 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1by5 n SER 581 N -1.76 1.36 -3.80 0.00 3.41 -1.26 -4.89 113.62 106.67 1by5 n SER 581 Ca 0.05 -1.25 -0.20 0.00 -0.26 0.00 0.00 58.87 57.21 1by5 n SER 581 Cb 0.31 -0.01 -0.17 0.00 -0.26 0.00 0.00 64.21 64.08 1by5 n SER 581 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1by5 s VAL 582 N -0.33 0.31 0.04 -3.33 1.01 -1.22 -0.42 120.40 116.46 1by5 s VAL 582 Ca 0.03 0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.18 1by5 s VAL 582 Cb 0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 1by5 s VAL 582 CO 0.03 0.21 -0.24 0.20 0.00 0.00 0.00 175.10 175.30 1by5 s ASN 583 N 1.48 3.32 -0.01 3.32 0.01 -1.06 -2.11 114.94 119.90 1by5 s ASN 583 Ca -0.03 -0.54 0.01 0.00 -0.71 0.00 0.00 52.86 51.59 1by5 s ASN 583 Cb -0.13 -0.37 0.01 0.00 0.41 0.00 0.00 41.25 41.16 1by5 s ASN 583 CO -0.03 0.26 -0.03 -0.69 -1.51 0.00 0.00 177.10 175.11 1by5 s VAL 584 N -0.82 0.29 -0.02 1.60 1.01 0.55 -2.75 120.40 120.25 1by5 s VAL 584 Ca 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1by5 s VAL 584 Cb -0.10 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.00 1by5 s VAL 584 CO 0.03 0.11 -0.02 -0.69 0.00 0.00 0.00 175.10 174.53 1by5 s VAL 585 N 0.30 0.22 -0.06 2.92 1.01 -0.35 -0.87 120.40 123.57 1by5 s VAL 585 Ca -0.03 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 1by5 s VAL 585 Cb -0.06 -0.25 0.10 0.00 0.00 0.00 0.00 36.38 36.17 1by5 s VAL 585 CO -0.01 0.11 0.83 -0.83 0.00 0.00 0.00 175.10 175.21 1by5 s GLY 586 N 0.46 -0.44 0.16 4.51 0.00 -0.56 0.18 107.32 111.63 1by5 s GLY 586 Ca -0.05 1.43 -0.17 0.00 0.00 0.00 0.00 44.72 45.94 1by5 s GLY 586 CO -0.01 0.77 0.46 -1.35 0.00 0.00 0.00 173.10 172.97 1by5 s SER 587 N -1.59 -0.25 -0.03 1.64 1.04 0.69 -1.15 113.70 114.05 1by5 s SER 587 Ca -0.03 -0.41 -0.03 0.00 0.48 0.00 0.00 55.95 55.96 1by5 s SER 587 Cb -0.00 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.65 1by5 s SER 587 CO 0.00 -0.95 0.09 -0.47 0.98 0.00 0.00 173.24 172.89 1by5 s TYR 588 N -3.84 -0.08 -0.02 5.02 5.04 0.28 -1.34 117.35 122.41 1by5 s TYR 588 Ca 0.07 0.20 -0.00 0.00 -2.44 0.00 0.00 57.07 54.89 1by5 s TYR 588 Cb 0.01 0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.36 1by5 s TYR 588 CO -0.07 -0.06 0.04 0.99 -1.34 0.00 0.00 175.55 175.11 1by5 s THR 589 N -0.04 -0.05 -0.10 4.34 2.01 -0.38 -1.82 115.64 119.60 1by5 s THR 589 Ca -0.01 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1by5 s THR 589 Cb -0.01 -0.08 0.02 0.00 0.01 0.00 0.00 72.50 72.43 1by5 s THR 589 CO 0.00 0.07 -0.12 -0.47 -0.69 0.00 0.00 174.62 173.41 1by5 s TYR 590 N 0.86 1.70 -0.03 4.92 5.04 0.20 -1.82 117.35 128.22 1by5 s TYR 590 Ca -0.07 -0.79 -0.01 0.00 -2.44 0.00 0.00 57.07 53.75 1by5 s TYR 590 Cb -0.10 -1.29 0.03 0.00 0.35 0.00 0.00 41.96 40.95 1by5 s TYR 590 CO -0.03 -0.45 0.05 -0.08 -1.34 0.00 0.00 175.55 173.70 1by5 s THR 591 N 1.17 -0.09 -0.45 4.34 -1.32 0.08 -0.66 115.64 118.72 1by5 s THR 591 Ca -0.04 0.36 -0.01 0.00 -1.21 0.00 0.00 61.69 60.79 1by5 s THR 591 Cb -0.14 -0.13 0.12 0.00 -1.51 0.00 0.00 72.50 70.83 1by5 s THR 591 CO -0.03 0.15 0.22 -0.62 -2.21 0.00 0.00 174.62 172.13 1by5 s ASP 592 N 1.82 5.05 0.00 8.08 2.15 0.18 -4.18 116.67 129.78 1by5 s ASP 592 Ca 0.01 -2.32 -0.00 0.00 0.43 0.00 0.00 52.55 50.66 1by5 s ASP 592 Cb -0.12 -1.77 -0.04 0.00 -0.30 0.00 0.00 42.92 40.69 1by5 s ASP 592 CO -0.03 -0.44 0.08 0.00 -0.17 0.00 0.00 175.17 174.61 1by5 s ALA 593 N 0.71 3.58 -0.08 3.66 0.00 -1.26 -1.78 121.76 126.58 1by5 s ALA 593 Ca 0.11 -0.88 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 1by5 s ALA 593 Cb -0.22 -1.57 0.08 0.00 0.00 0.00 0.00 23.12 21.42 1by5 s ALA 593 CO -0.04 0.69 0.76 -2.00 0.00 0.00 0.00 175.76 175.17 1by5 s GLU 594 N -1.78 0.94 -0.25 0.00 2.12 0.12 -4.45 118.70 115.41 1by5 s GLU 594 Ca 0.23 0.25 -0.27 0.00 0.36 0.00 0.00 54.97 55.55 1by5 s GLU 594 Cb -0.12 0.45 0.00 0.00 0.26 0.00 0.00 34.13 34.72 1by5 s GLU 594 CO 0.14 -0.29 0.95 0.71 -0.54 0.00 0.00 175.26 176.24 1by5 s TYR 595 N -1.12 3.31 -0.92 5.30 1.51 -0.42 0.12 117.35 125.12 1by5 s TYR 595 Ca -0.09 1.29 0.22 0.00 -1.01 0.00 0.00 57.07 57.48 1by5 s TYR 595 Cb -0.00 -3.22 -0.09 0.00 -0.11 0.00 0.00 41.96 38.54 1by5 s TYR 595 CO 0.08 -0.48 0.98 0.25 -1.11 0.00 0.00 175.55 175.27 1by5 n THR 596 N 5.35 0.01 -3.15 -0.71 -2.24 -0.29 -1.31 114.28 111.94 1by5 n THR 596 Ca 0.09 -0.04 0.04 0.00 -2.27 0.00 0.00 64.05 61.87 1by5 n THR 596 Cb 0.47 0.76 -0.00 0.00 -2.10 0.00 0.00 70.33 69.46 1by5 n THR 596 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1by5 s THR 597 N -3.04 -0.90 -0.24 4.28 2.01 -1.00 -4.94 115.64 111.81 1by5 s THR 597 Ca 0.07 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.99 1by5 s THR 597 Cb 0.16 -0.88 0.11 0.00 0.01 0.00 0.00 72.50 71.89 1by5 s THR 597 CO 0.84 0.00 0.52 -0.62 -0.69 0.00 0.00 174.62 174.66 1by5 s ASP 598 N 2.83 -0.63 0.00 3.53 -1.08 -1.26 -0.49 116.67 119.57 1by5 s ASP 598 Ca 0.13 1.24 0.00 0.00 -0.52 0.00 0.00 52.55 53.39 1by5 s ASP 598 Cb -0.09 1.74 0.00 0.00 -1.46 0.00 0.00 42.92 43.11 1by5 s ASP 598 CO -0.25 -0.23 0.46 0.35 0.52 0.00 0.00 175.17 176.02 1by5 n THR 599 N 5.39 0.17 0.00 1.71 -2.24 -1.26 -2.77 114.28 115.28 1by5 n THR 599 Ca -0.10 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1by5 n THR 599 Cb 0.49 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 1by5 n THR 599 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1by5 n THR 600 N -0.96 0.00 -1.54 4.28 -1.04 -1.26 -4.93 114.28 108.83 1by5 n THR 600 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 1by5 n THR 600 Cb 0.01 -0.05 0.21 0.00 -1.82 0.00 0.00 70.33 68.67 1by5 n THR 600 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1by5 n TYR 601 N -1.17 0.33 -1.76 -1.42 4.01 -1.19 -5.04 117.16 110.92 1by5 n TYR 601 Ca 0.00 -1.51 -0.42 0.00 -0.16 0.00 0.00 57.90 55.81 1by5 n TYR 601 Cb 0.04 -0.32 -0.03 0.00 -0.31 0.00 0.00 39.34 38.72 1by5 n TYR 601 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1by5 s LYS 602 N -3.23 4.15 0.00 -0.72 2.20 -1.11 -1.57 119.74 119.45 1by5 s LYS 602 Ca 0.40 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.56 1by5 s LYS 602 Cb 0.38 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1by5 s LYS 602 CO -0.05 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.54 1by5 n GLY 603 N 4.16 3.48 3.91 5.54 0.00 -0.43 -4.99 105.19 116.87 1by5 n GLY 603 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1by5 n GLY 603 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1by5 s ASN 604 N -0.96 4.35 -0.04 1.61 0.02 -0.61 -4.74 114.94 114.57 1by5 s ASN 604 Ca 0.00 0.59 0.06 0.00 -1.02 0.00 0.00 52.86 52.49 1by5 s ASN 604 Cb 0.00 -1.04 -0.02 0.00 0.02 0.00 0.00 41.25 40.20 1by5 s ASN 604 CO 0.00 -1.97 -0.20 0.42 0.02 0.00 0.00 177.10 175.37 1by5 s THR 605 N -3.54 2.52 0.49 1.60 -4.23 -1.26 -1.30 115.64 109.91 1by5 s THR 605 Ca 0.64 -0.93 -0.22 0.00 -1.18 0.00 0.00 61.69 60.00 1by5 s THR 605 Cb -0.10 -1.94 -0.09 0.00 1.34 0.00 0.00 72.50 71.72 1by5 s THR 605 CO 0.48 0.58 0.95 -2.65 -0.54 0.00 0.00 174.62 173.44 1by5 n PRO 606 N 2.45 1.13 -1.67 3.99 -0.02 -1.26 -4.80 135.00 134.82 1by5 n PRO 606 Ca -0.17 0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.41 1by5 n PRO 606 Cb 0.52 -2.05 0.05 0.00 -0.02 0.00 0.00 33.50 32.00 1by5 n PRO 606 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1by5 s ALA 607 N -1.40 2.50 0.00 3.55 0.00 -1.26 -3.43 121.76 121.72 1by5 s ALA 607 Ca 0.68 0.39 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1by5 s ALA 607 Cb -0.50 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1by5 s ALA 607 CO 0.54 -1.30 0.00 1.04 0.00 0.00 0.00 175.76 176.04 1by5 n GLN 608 N -2.70 -1.03 -3.76 0.00 6.02 -0.94 -4.97 117.38 110.00 1by5 n GLN 608 Ca 0.09 0.26 -0.37 0.00 -0.01 0.00 0.00 57.00 56.97 1by5 n GLN 608 Cb 0.53 -4.10 -0.12 0.00 1.02 0.00 0.00 30.24 27.57 1by5 n GLN 608 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1by5 s VAL 609 N -1.52 3.64 0.45 5.09 1.01 -1.22 -4.94 120.40 122.91 1by5 s VAL 609 Ca 0.00 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.48 1by5 s VAL 609 Cb 0.00 -3.15 -0.08 0.00 0.00 0.00 0.00 36.38 33.15 1by5 s VAL 609 CO 0.00 -0.28 0.90 -2.16 0.00 0.00 0.00 175.10 173.56 1by5 s PRO 610 N 1.34 3.97 0.04 2.72 0.04 -1.26 -4.56 135.00 137.30 1by5 s PRO 610 Ca -0.00 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 61.84 1by5 s PRO 610 Cb -0.21 -2.24 -0.28 0.00 0.04 0.00 0.00 34.50 31.81 1by5 s PRO 610 CO 0.01 -0.12 1.02 -0.22 0.04 0.00 0.00 177.00 177.73 1by5 h LYS 611 N 1.35 0.28 -5.60 4.56 3.64 -1.73 -3.41 116.57 115.66 1by5 h LYS 611 Ca -0.47 -0.47 -0.49 0.00 -1.27 0.00 0.00 60.65 57.94 1by5 h LYS 611 Cb 1.18 0.18 -0.25 0.00 -0.41 0.00 0.00 32.23 32.93 1by5 h LYS 611 CO 0.62 1.19 -0.81 -1.01 -2.27 0.00 0.00 179.45 177.17 1by5 s HIS 612 N -2.64 1.44 0.03 1.91 3.76 -1.26 -0.74 115.29 117.79 1by5 s HIS 612 Ca -0.06 -0.36 -0.18 0.00 -0.15 0.00 0.00 55.06 54.31 1by5 s HIS 612 Cb 0.07 -0.86 0.03 0.00 1.11 0.00 0.00 32.58 32.93 1by5 s HIS 612 CO 0.87 0.06 0.39 -1.64 -0.85 0.00 0.00 174.74 173.57 1by5 s MET 613 N -1.13 0.86 -0.14 1.40 -1.94 -0.76 0.11 119.30 117.70 1by5 s MET 613 Ca 0.04 -0.31 -0.30 0.00 -1.71 0.00 0.00 55.69 53.41 1by5 s MET 613 Cb -0.08 0.38 0.12 0.00 2.01 0.00 0.00 34.83 37.26 1by5 s MET 613 CO 0.01 -0.28 0.96 0.00 -0.01 0.00 0.00 175.02 175.71 1by5 s ALA 614 N -2.17 -1.91 0.01 3.03 0.00 -0.37 -1.25 121.76 119.10 1by5 s ALA 614 Ca -0.07 1.51 -0.21 0.00 0.00 0.00 0.00 51.96 53.19 1by5 s ALA 614 Cb -0.02 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.61 1by5 s ALA 614 CO -0.00 -0.35 0.46 -1.54 0.00 0.00 0.00 175.76 174.32 1by5 s SER 615 N -1.26 -0.36 -0.16 0.00 1.04 -0.45 0.11 113.70 112.62 1by5 s SER 615 Ca -0.02 0.19 -0.09 0.00 0.48 0.00 0.00 55.95 56.51 1by5 s SER 615 Cb -0.00 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.60 1by5 s SER 615 CO 0.01 -0.61 0.38 -0.22 0.98 0.00 0.00 173.24 173.78 1by5 s LEU 616 N -1.67 0.06 0.02 2.42 2.96 -0.89 -0.22 118.68 121.37 1by5 s LEU 616 Ca -0.08 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 1by5 s LEU 616 Cb -0.02 1.25 -0.02 0.00 0.50 0.00 0.00 46.19 47.91 1by5 s LEU 616 CO 0.02 -0.18 -0.04 0.86 -1.32 0.00 0.00 176.35 175.69 1by5 s TRP 617 N 1.22 0.35 -0.20 5.38 -0.11 0.47 -1.15 118.94 124.90 1by5 s TRP 617 Ca -0.08 -0.50 -0.24 0.00 1.22 0.00 0.00 56.10 56.50 1by5 s TRP 617 Cb -0.08 -0.23 0.06 0.00 -1.50 0.00 0.00 33.47 31.72 1by5 s TRP 617 CO -0.10 -0.16 0.65 0.00 -4.62 0.00 0.00 176.95 172.72 1by5 s ALA 618 N -1.37 -1.62 0.03 5.86 0.00 -0.56 -1.22 121.76 122.88 1by5 s ALA 618 Ca -0.14 1.69 0.02 0.00 0.00 0.00 0.00 51.96 53.53 1by5 s ALA 618 Cb -0.10 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1by5 s ALA 618 CO -0.01 -0.32 -0.07 0.16 0.00 0.00 0.00 175.76 175.53 1by5 s ASP 619 N -0.02 0.72 0.02 0.00 1.47 -1.11 -1.01 116.67 116.74 1by5 s ASP 619 Ca -0.03 -0.43 0.05 0.00 1.18 0.00 0.00 52.55 53.32 1by5 s ASP 619 Cb -0.04 0.02 -0.02 0.00 -0.34 0.00 0.00 42.92 42.54 1by5 s ASP 619 CO 0.03 -0.15 -0.17 -0.47 0.68 0.00 0.00 175.17 175.09 1by5 s TYR 620 N -1.09 1.46 -0.10 2.11 5.04 0.19 -2.55 117.35 122.43 1by5 s TYR 620 Ca -0.08 -0.32 0.03 0.00 -2.44 0.00 0.00 57.07 54.27 1by5 s TYR 620 Cb -0.08 -0.90 0.01 0.00 0.35 0.00 0.00 41.96 41.33 1by5 s TYR 620 CO 0.00 0.02 -0.19 0.99 -1.34 0.00 0.00 175.55 175.03 1by5 s THR 621 N -0.61 1.72 -0.03 4.34 2.01 0.43 -0.71 115.64 122.79 1by5 s THR 621 Ca 0.05 -0.81 -0.21 0.00 0.31 0.00 0.00 61.69 61.03 1by5 s THR 621 Cb -0.07 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 1by5 s THR 621 CO 0.00 0.48 0.60 -0.36 -0.69 0.00 0.00 174.62 174.66 1by5 s PHE 622 N 0.57 3.64 -0.25 4.92 0.40 -0.14 -4.70 117.98 122.42 1by5 s PHE 622 Ca -0.15 1.17 0.09 0.00 -0.60 0.00 0.00 56.93 57.44 1by5 s PHE 622 Cb -0.17 -2.65 -0.11 0.00 0.51 0.00 0.00 43.02 40.60 1by5 s PHE 622 CO 0.05 0.27 0.30 1.19 0.70 0.00 0.00 175.22 177.73 1by5 n PHE 623 N 3.10 0.00 -3.73 0.36 3.72 -1.26 -0.61 117.46 119.04 1by5 n PHE 623 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1by5 n PHE 623 Cb 0.51 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1by5 n PHE 623 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1by5 n ASP 624 N -1.46 0.52 -0.91 4.37 9.92 -1.26 -4.76 116.55 122.97 1by5 n ASP 624 Ca 0.00 -0.73 0.07 0.00 -0.53 0.00 0.00 54.79 53.60 1by5 n ASP 624 Cb 0.18 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.64 1by5 n ASP 624 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1by5 n GLY 625 N 1.31 -1.57 0.23 0.44 0.00 -1.26 -2.51 105.19 101.83 1by5 n GLY 625 Ca 0.00 -1.17 0.15 0.00 0.00 0.00 0.00 46.02 45.00 1by5 n GLY 625 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1by5 h PRO 626 N 0.00 0.00 -0.01 1.61 0.13 -2.02 -3.09 132.00 128.62 1by5 h PRO 626 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1by5 h PRO 626 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1by5 h PRO 626 CO 0.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 1by5 n LEU 627 N -2.85 1.09 -3.31 1.56 4.77 -1.25 -4.99 117.00 112.02 1by5 n LEU 627 Ca 0.02 -0.37 -0.37 0.00 -0.03 0.00 0.00 56.01 55.26 1by5 n LEU 627 Cb 0.33 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1by5 n LEU 627 CO 0.27 0.18 0.04 -0.24 -1.33 0.00 0.00 177.39 176.31 1by5 n SER 628 N -0.14 -0.83 -0.12 -1.43 2.88 -1.04 -1.70 113.62 111.22 1by5 n SER 628 Ca 0.20 0.85 -0.02 0.00 -1.33 0.00 0.00 58.87 58.58 1by5 n SER 628 Cb 0.29 -0.71 -0.01 0.00 -0.75 0.00 0.00 64.21 63.03 1by5 n SER 628 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1by5 n GLY 629 N 1.46 0.50 3.62 0.46 0.00 0.22 -4.95 105.19 106.50 1by5 n GLY 629 Ca 0.14 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1by5 n GLY 629 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1by5 s LEU 630 N -0.36 3.59 -0.09 0.99 1.98 -0.69 -0.85 118.68 123.25 1by5 s LEU 630 Ca 0.00 0.06 0.04 0.00 -2.89 0.00 0.00 54.13 51.34 1by5 s LEU 630 Cb 0.00 -1.86 0.00 0.00 0.66 0.00 0.00 46.19 44.99 1by5 s LEU 630 CO 0.00 0.26 -0.22 -0.89 -1.89 0.00 0.00 176.35 173.61 1by5 s THR 631 N -0.16 1.93 -0.05 3.68 2.01 0.20 -0.97 115.64 122.27 1by5 s THR 631 Ca 0.05 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.15 1by5 s THR 631 Cb -0.12 -1.67 -0.00 0.00 0.01 0.00 0.00 72.50 70.71 1by5 s THR 631 CO 0.02 0.53 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.54 1by5 s LEU 632 N 0.36 1.92 0.13 4.42 1.43 0.11 -1.44 118.68 125.61 1by5 s LEU 632 Ca -0.18 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.50 1by5 s LEU 632 Cb -0.17 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 1by5 s LEU 632 CO 0.08 0.15 0.13 -0.83 0.23 0.00 0.00 176.35 176.11 1by5 s GLY 633 N 0.09 0.72 -0.12 -3.19 0.00 -0.65 0.56 107.32 104.74 1by5 s GLY 633 Ca -0.06 -1.21 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 1by5 s GLY 633 CO 0.03 -1.15 0.99 -1.59 0.00 0.00 0.00 173.10 171.37 1by5 s THR 634 N -4.00 0.00 0.27 0.90 2.01 -0.18 -1.60 115.64 113.04 1by5 s THR 634 Ca 0.19 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.99 1by5 s THR 634 Cb 0.06 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.63 1by5 s THR 634 CO -0.01 0.00 0.88 -0.83 -0.69 0.00 0.00 174.62 173.97 1by5 s GLY 635 N -1.64 0.11 0.03 4.40 0.00 -0.66 -1.50 107.32 108.06 1by5 s GLY 635 Ca 0.02 -0.41 -0.07 0.00 0.00 0.00 0.00 44.72 44.26 1by5 s GLY 635 CO -0.03 0.54 0.12 -0.32 0.00 0.00 0.00 173.10 173.42 1by5 s GLY 636 N -3.12 0.12 -0.11 0.20 0.00 -0.30 -0.79 107.32 103.33 1by5 s GLY 636 Ca 0.16 -0.41 -0.01 0.00 0.00 0.00 0.00 44.72 44.46 1by5 s GLY 636 CO 0.07 -0.55 -0.01 0.50 0.00 0.00 0.00 173.10 173.11 1by5 s ARG 637 N -2.32 0.81 -0.19 2.90 0.52 0.66 -2.09 118.95 119.25 1by5 s ARG 637 Ca -0.07 -0.08 -0.06 0.00 -0.52 0.00 0.00 55.73 55.00 1by5 s ARG 637 Cb -0.03 -1.33 -0.03 0.00 0.52 0.00 0.00 34.95 34.08 1by5 s ARG 637 CO -0.03 -0.37 0.03 -0.47 0.02 0.00 0.00 175.30 174.49 1by5 s TYR 638 N 1.89 3.15 -0.18 -0.53 5.04 0.12 -1.60 117.35 125.25 1by5 s TYR 638 Ca 0.04 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.54 1by5 s TYR 638 Cb -0.13 -2.07 0.01 0.00 0.35 0.00 0.00 41.96 40.11 1by5 s TYR 638 CO -0.06 0.00 -0.16 0.99 -1.34 0.00 0.00 175.55 174.98 1by5 s THR 639 N 0.61 2.48 1.32 4.34 2.01 -0.17 -1.24 115.64 124.99 1by5 s THR 639 Ca 0.01 -0.81 -0.21 0.00 0.31 0.00 0.00 61.69 60.99 1by5 s THR 639 Cb -0.13 -2.06 0.33 0.00 0.01 0.00 0.00 72.50 70.65 1by5 s THR 639 CO 0.02 0.51 1.01 -0.83 -0.69 0.00 0.00 174.62 174.64 1by5 s GLY 640 N 1.13 1.49 0.77 4.40 0.00 0.29 -1.35 107.32 114.05 1by5 s GLY 640 Ca 0.01 -0.85 -0.12 0.00 0.00 0.00 0.00 44.72 43.76 1by5 s GLY 640 CO -0.06 0.10 1.11 -1.35 0.00 0.00 0.00 173.10 172.90 1by5 s SER 641 N -3.45 4.80 0.25 1.64 1.04 -1.26 -4.32 113.70 112.40 1by5 s SER 641 Ca 0.70 1.11 -0.14 0.00 0.48 0.00 0.00 55.95 58.10 1by5 s SER 641 Cb -0.12 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.18 1by5 s SER 641 CO 0.57 -1.75 0.52 -0.94 0.98 0.00 0.00 173.24 172.62 1by5 s SER 642 N -4.22 -0.13 0.05 7.02 1.04 -0.66 -3.76 113.70 113.05 1by5 s SER 642 Ca 0.60 -0.85 -0.19 0.00 0.48 0.00 0.00 55.95 55.99 1by5 s SER 642 Cb -0.12 0.61 -0.06 0.00 0.10 0.00 0.00 66.02 66.54 1by5 s SER 642 CO 0.52 -1.18 0.55 -0.31 0.98 0.00 0.00 173.24 173.80 1by5 s TYR 643 N -3.99 3.78 -2.28 5.02 2.02 -1.26 0.10 117.35 120.74 1by5 s TYR 643 Ca 0.20 1.22 0.25 0.00 -0.37 0.00 0.00 57.07 58.36 1by5 s TYR 643 Cb -0.02 -2.48 1.07 0.00 -0.40 0.00 0.00 41.96 40.13 1by5 s TYR 643 CO 0.08 0.56 1.74 0.41 -1.57 0.00 0.00 175.55 176.77 1by5 n GLY 644 N 1.84 -0.18 3.52 0.71 0.00 -0.80 -2.21 105.19 108.07 1by5 n GLY 644 Ca -0.10 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1by5 n GLY 644 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1by5 s ASP 645 N -1.78 -0.39 0.58 1.61 1.47 -1.26 0.18 116.67 117.07 1by5 s ASP 645 Ca 0.36 -0.06 0.38 0.00 1.18 0.00 0.00 52.55 54.40 1by5 s ASP 645 Cb 0.19 0.46 1.83 0.00 -0.34 0.00 0.00 42.92 45.06 1by5 s ASP 645 CO 0.30 -0.76 2.13 1.55 0.68 0.00 0.00 175.17 179.07 1by5 h PRO 646 N 2.00 0.00 -0.00 2.11 0.13 -1.87 -1.75 132.00 132.62 1by5 h PRO 646 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1by5 h PRO 646 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1by5 h PRO 646 CO 0.32 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 177.98 1by5 n ALA 647 N -2.05 2.77 -3.13 -0.56 0.00 -1.26 -4.77 120.51 111.50 1by5 n ALA 647 Ca -0.01 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.91 1by5 n ALA 647 Cb 0.18 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.33 1by5 n ALA 647 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1by5 n ASN 648 N -0.81 -4.88 0.00 0.00 5.03 -0.66 -4.86 115.26 109.09 1by5 n ASN 648 Ca 0.15 -0.30 0.13 0.00 0.87 0.00 0.00 54.58 55.43 1by5 n ASN 648 Cb 0.28 -3.99 0.62 0.00 -1.02 0.00 0.00 39.78 35.67 1by5 n ASN 648 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1by5 n SER 649 N -2.36 0.00 -3.56 6.41 3.41 -1.26 -4.87 113.62 111.38 1by5 n SER 649 Ca -0.07 0.13 -0.08 0.00 -0.26 0.00 0.00 58.87 58.59 1by5 n SER 649 Cb 0.58 -0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1by5 n SER 649 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1by5 s PHE 650 N -2.73 -0.32 0.14 7.33 -0.71 -1.26 -5.08 117.98 115.35 1by5 s PHE 650 Ca 0.20 0.12 0.10 0.00 -1.04 0.00 0.00 56.93 56.31 1by5 s PHE 650 Cb 0.17 0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 42.52 1by5 s PHE 650 CO 0.42 -0.69 -0.22 0.15 -1.34 0.00 0.00 175.22 173.54 1by5 s LYS 651 N -3.29 1.31 -0.25 1.99 1.02 -1.26 -1.91 119.74 117.34 1by5 s LYS 651 Ca 0.06 -1.34 -0.10 0.00 0.02 0.00 0.00 55.97 54.60 1by5 s LYS 651 Cb -0.01 -1.60 -0.05 0.00 -0.52 0.00 0.00 37.83 35.65 1by5 s LYS 651 CO -0.06 0.36 0.16 0.08 -0.92 0.00 0.00 175.35 174.97 1by5 s VAL 652 N -1.46 5.31 0.58 3.17 1.01 0.28 -4.83 120.40 124.46 1by5 s VAL 652 Ca 0.14 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 1by5 s VAL 652 Cb -0.09 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1by5 s VAL 652 CO 0.06 0.32 1.33 -0.83 0.00 0.00 0.00 175.10 175.98 1by5 s GLY 653 N 1.25 2.87 0.95 4.51 0.00 -1.26 -1.66 107.32 113.99 1by5 s GLY 653 Ca 0.07 1.28 -0.12 0.00 0.00 0.00 0.00 44.72 45.95 1by5 s GLY 653 CO 0.06 1.76 1.09 -1.35 0.00 0.00 0.00 173.10 174.66 1by5 s SER 654 N -1.12 2.96 0.08 1.64 1.04 -1.26 -4.72 113.70 112.32 1by5 s SER 654 Ca 0.75 1.41 -0.23 0.00 0.48 0.00 0.00 55.95 58.36 1by5 s SER 654 Cb -0.39 -2.08 0.06 0.00 0.10 0.00 0.00 66.02 63.71 1by5 s SER 654 CO 0.44 -2.95 0.56 -0.72 0.98 0.00 0.00 173.24 171.55 1by5 s TYR 655 N -2.90 -0.47 -0.04 5.02 -0.85 -0.46 -4.93 117.35 112.71 1by5 s TYR 655 Ca 0.65 0.45 0.03 0.00 -0.52 0.00 0.00 57.07 57.68 1by5 s TYR 655 Cb -0.19 0.41 0.00 0.00 0.38 0.00 0.00 41.96 42.57 1by5 s TYR 655 CO 0.58 -0.71 -0.12 0.99 -1.52 0.00 0.00 175.55 174.77 1by5 s THR 656 N -2.84 1.02 -0.01 -3.49 2.01 -1.26 -1.00 115.64 110.07 1by5 s THR 656 Ca -0.03 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 61.56 1by5 s THR 656 Cb -0.00 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 1by5 s THR 656 CO -0.05 0.31 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.30 1by5 s VAL 657 N 0.29 1.58 -0.05 3.82 1.01 -0.63 -4.92 120.40 121.51 1by5 s VAL 657 Ca -0.06 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1by5 s VAL 657 Cb -0.11 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1by5 s VAL 657 CO 0.02 0.43 -0.17 -0.69 0.00 0.00 0.00 175.10 174.69 1by5 s VAL 658 N -0.50 2.85 0.27 2.92 1.01 -1.26 -0.25 120.40 125.45 1by5 s VAL 658 Ca 0.08 -0.80 0.11 0.00 0.00 0.00 0.00 61.98 61.37 1by5 s VAL 658 Cb -0.08 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1by5 s VAL 658 CO -0.01 0.58 -0.11 -1.81 0.00 0.00 0.00 175.10 173.75 1by5 s ASP 659 N -0.58 4.02 0.08 3.32 1.01 0.03 -0.17 116.67 124.39 1by5 s ASP 659 Ca 0.08 -0.84 -0.09 0.00 0.71 0.00 0.00 52.55 52.41 1by5 s ASP 659 Cb -0.11 -0.55 0.00 0.00 1.01 0.00 0.00 42.92 43.27 1by5 s ASP 659 CO 0.01 0.03 0.20 0.00 0.21 0.00 0.00 175.17 175.62 1by5 s ALA 660 N -2.37 -0.29 -0.08 5.23 0.00 -0.01 -1.66 121.76 122.58 1by5 s ALA 660 Ca 0.30 -0.51 -0.10 0.00 0.00 0.00 0.00 51.96 51.65 1by5 s ALA 660 Cb -0.06 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.53 1by5 s ALA 660 CO 0.17 -0.48 0.27 -1.17 0.00 0.00 0.00 175.76 174.55 1by5 s LEU 661 N -2.67 1.00 -0.27 0.00 2.96 -0.63 -1.54 118.68 117.52 1by5 s LEU 661 Ca 0.02 0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 54.30 1by5 s LEU 661 Cb 0.03 0.96 0.09 0.00 0.50 0.00 0.00 46.19 47.78 1by5 s LEU 661 CO -0.09 -0.17 0.12 -0.69 -1.32 0.00 0.00 176.35 174.19 1by5 s VAL 662 N -0.22 0.03 -0.03 1.68 1.01 -0.39 -1.63 120.40 120.84 1by5 s VAL 662 Ca -0.03 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1by5 s VAL 662 Cb -0.03 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 1by5 s VAL 662 CO 0.01 -0.66 -0.04 -0.60 0.00 0.00 0.00 175.10 173.81 1by5 s ARG 663 N 2.06 2.73 -0.26 2.72 3.52 -0.52 -0.01 118.95 129.18 1by5 s ARG 663 Ca 0.08 -0.60 -0.01 0.00 -0.13 0.00 0.00 55.73 55.08 1by5 s ARG 663 Cb -0.16 -2.61 0.08 0.00 -1.56 0.00 0.00 34.95 30.69 1by5 s ARG 663 CO -0.32 0.64 0.04 -0.47 -0.81 0.00 0.00 175.30 174.38 1by5 s TYR 664 N -0.95 1.79 0.05 5.12 5.04 0.92 -0.63 117.35 128.69 1by5 s TYR 664 Ca 0.16 -1.55 -0.30 0.00 -2.44 0.00 0.00 57.07 52.94 1by5 s TYR 664 Cb -0.11 -1.54 -0.09 0.00 0.35 0.00 0.00 41.96 40.56 1by5 s TYR 664 CO 0.06 -0.78 1.95 -3.47 -1.34 0.00 0.00 175.55 171.97 1by5 n ASP 665 N 4.83 4.13 -1.05 4.32 2.03 -0.03 -2.66 116.55 128.13 1by5 n ASP 665 Ca -0.06 0.92 -0.02 0.00 0.52 0.00 0.00 54.79 56.15 1by5 n ASP 665 Cb 0.44 -1.53 0.02 0.00 -0.72 0.00 0.00 41.12 39.33 1by5 n ASP 665 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1by5 n LEU 666 N 7.16 3.10 0.08 -2.67 4.77 -0.23 -3.85 117.00 125.35 1by5 n LEU 666 Ca 0.20 -1.57 -0.10 0.00 -0.03 0.00 0.00 56.01 54.51 1by5 n LEU 666 Cb 0.40 -0.53 -0.11 0.00 -2.33 0.00 0.00 43.42 40.85 1by5 n LEU 666 CO 0.68 0.52 0.09 0.00 -1.33 0.00 0.00 177.39 177.35 1by5 h ALA 667 N 1.95 0.29 -0.01 -1.18 0.00 -1.78 0.69 119.26 119.21 1by5 h ALA 667 Ca 0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 54.91 54.06 1by5 h ALA 667 Cb 1.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1by5 h ALA 667 CO 0.08 1.14 -0.05 0.00 0.00 0.00 0.00 179.25 180.42 1by5 h ARG 668 N 0.03 0.02 -0.72 0.00 2.47 -1.90 -2.37 114.38 111.90 1by5 h ARG 668 Ca -0.05 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1by5 h ARG 668 Cb 1.81 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.12 1by5 h ARG 668 CO 0.15 0.07 0.00 1.33 0.56 0.00 0.00 179.97 182.08 1by5 n VAL 669 N -4.47 0.96 -0.09 2.04 0.24 -1.22 -4.94 118.33 110.85 1by5 n VAL 669 Ca -0.03 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.30 1by5 n VAL 669 Cb 0.14 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1by5 n VAL 669 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1by5 n GLY 670 N 1.67 0.94 2.48 7.63 0.00 -0.89 -5.06 105.19 111.96 1by5 n GLY 670 Ca 0.24 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1by5 n GLY 670 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1by5 s MET 671 N -0.29 1.03 0.80 1.61 -1.94 0.23 -5.01 119.30 115.74 1by5 s MET 671 Ca 0.00 -2.11 -0.12 0.00 -1.71 0.00 0.00 55.69 51.75 1by5 s MET 671 Cb 0.00 -1.66 0.08 0.00 2.01 0.00 0.00 34.83 35.26 1by5 s MET 671 CO 0.00 -1.34 1.16 0.00 -0.01 0.00 0.00 175.02 174.83 1by5 s ALA 672 N 0.08 1.92 0.00 3.03 0.00 -1.26 -3.11 121.76 122.43 1by5 s ALA 672 Ca 0.29 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1by5 s ALA 672 Cb -0.03 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1by5 s ALA 672 CO -0.15 -2.16 0.00 0.41 0.00 0.00 0.00 175.76 173.86 1by5 n GLY 673 N -0.03 2.17 3.94 0.00 0.00 -1.26 -4.81 105.19 105.20 1by5 n GLY 673 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1by5 n GLY 673 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1by5 s SER 674 N -0.75 6.33 0.23 1.61 0.01 -1.18 -4.66 113.70 115.30 1by5 s SER 674 Ca 0.00 0.37 -0.17 0.00 1.31 0.00 0.00 55.95 57.46 1by5 s SER 674 Cb 0.00 -2.00 0.02 0.00 0.21 0.00 0.00 66.02 64.25 1by5 s SER 674 CO 0.00 -0.18 0.57 0.54 0.41 0.00 0.00 173.24 174.58 1by5 s ASN 675 N -3.75 -0.22 -0.01 2.44 4.22 -0.75 -1.07 114.94 115.80 1by5 s ASN 675 Ca 0.38 -0.63 0.04 0.00 -2.14 0.00 0.00 52.86 50.51 1by5 s ASN 675 Cb -0.10 0.63 -0.01 0.00 1.28 0.00 0.00 41.25 43.05 1by5 s ASN 675 CO 0.32 -1.16 -0.12 -0.69 -2.04 0.00 0.00 177.10 173.41 1by5 s VAL 676 N -3.92 0.97 0.18 3.54 1.01 -1.09 -1.61 120.40 119.48 1by5 s VAL 676 Ca 0.13 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1by5 s VAL 676 Cb -0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1by5 s VAL 676 CO 0.03 0.27 0.29 0.00 0.00 0.00 0.00 175.10 175.69 1by5 s ALA 677 N -0.29 0.10 -0.10 5.51 0.00 0.89 -0.05 121.76 127.83 1by5 s ALA 677 Ca 0.05 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 1by5 s ALA 677 Cb -0.05 0.94 0.02 0.00 0.00 0.00 0.00 23.12 24.03 1by5 s ALA 677 CO -0.00 -0.66 -0.06 -1.17 0.00 0.00 0.00 175.76 173.86 1by5 s LEU 678 N -2.99 1.09 -0.03 0.00 0.20 0.98 -1.13 118.68 116.80 1by5 s LEU 678 Ca 0.20 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.81 1by5 s LEU 678 Cb 0.03 -0.73 -0.03 0.00 -0.43 0.00 0.00 46.19 45.03 1by5 s LEU 678 CO 0.02 -0.12 -0.12 -1.00 -0.29 0.00 0.00 176.35 174.85 1by5 s HIS 679 N 1.65 2.77 -0.05 5.38 3.76 0.51 -1.27 115.29 128.05 1by5 s HIS 679 Ca 0.03 -0.11 -0.01 0.00 -0.15 0.00 0.00 55.06 54.82 1by5 s HIS 679 Cb -0.13 -1.62 0.03 0.00 1.11 0.00 0.00 32.58 31.97 1by5 s HIS 679 CO -0.06 0.27 0.02 0.08 -0.85 0.00 0.00 174.74 174.20 1by5 s VAL 680 N -0.83 0.17 -0.10 -0.90 1.01 -0.59 -0.95 120.40 118.21 1by5 s VAL 680 Ca 0.13 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1by5 s VAL 680 Cb -0.11 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 1by5 s VAL 680 CO 0.03 0.22 -0.07 0.20 0.00 0.00 0.00 175.10 175.48 1by5 s ASN 681 N 1.95 4.60 -1.08 3.32 -0.87 -0.20 -0.83 114.94 121.83 1by5 s ASN 681 Ca 0.03 -0.09 -0.08 0.00 -1.57 0.00 0.00 52.86 51.15 1by5 s ASN 681 Cb -0.12 -1.40 -0.05 0.00 -0.02 0.00 0.00 41.25 39.65 1by5 s ASN 681 CO -0.04 0.28 0.90 -3.20 -2.57 0.00 0.00 177.10 172.47 1by5 n ASN 682 N 2.78 -5.99 -0.29 -1.22 5.15 -0.73 -0.94 115.26 114.02 1by5 n ASN 682 Ca -0.18 -0.76 0.11 0.00 -0.60 0.00 0.00 54.58 53.15 1by5 n ASN 682 Cb 0.53 -4.88 0.26 0.00 -0.53 0.00 0.00 39.78 35.16 1by5 n ASN 682 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1by5 h LEU 683 N -1.29 0.18 -1.37 1.20 5.85 -0.80 -0.31 115.31 118.77 1by5 h LEU 683 Ca -0.62 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1by5 h LEU 683 Cb 1.32 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1by5 h LEU 683 CO 0.45 -0.03 0.00 0.49 -0.34 0.00 0.00 178.44 179.02 1by5 n PHE 684 N -5.10 0.52 -4.12 1.25 3.72 -1.26 -4.90 117.46 107.56 1by5 n PHE 684 Ca 0.19 -0.21 -0.34 0.00 -0.05 0.00 0.00 57.45 57.04 1by5 n PHE 684 Cb 0.59 -0.11 -0.01 0.00 -0.94 0.00 0.00 39.48 39.01 1by5 n PHE 684 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1by5 n ASP 685 N 0.24 -3.62 -4.73 4.37 2.03 -0.13 -4.86 116.55 109.86 1by5 n ASP 685 Ca 0.09 -0.94 -0.42 0.00 0.52 0.00 0.00 54.79 54.03 1by5 n ASP 685 Cb 0.38 -3.11 -0.02 0.00 -0.72 0.00 0.00 41.12 37.65 1by5 n ASP 685 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1by5 n ARG 686 N -4.48 2.55 -3.62 -0.67 3.00 -1.26 -4.78 116.66 107.41 1by5 n ARG 686 Ca 0.05 0.91 -0.40 0.00 -0.00 0.00 0.00 57.85 58.41 1by5 n ARG 686 Cb 0.51 -2.67 -0.11 0.00 0.00 0.00 0.00 32.46 30.19 1by5 n ARG 686 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1by5 s GLU 687 N -0.30 2.66 0.05 -0.14 2.12 -1.26 -4.76 118.70 117.06 1by5 s GLU 687 Ca 0.66 -1.32 -0.02 0.00 0.36 0.00 0.00 54.97 54.65 1by5 s GLU 687 Cb -0.53 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.11 1by5 s GLU 687 CO 0.47 -0.85 0.00 1.52 -0.54 0.00 0.00 175.26 175.87 1by5 s TYR 688 N 1.45 0.42 -0.34 5.30 1.13 -1.26 -5.06 117.35 118.99 1by5 s TYR 688 Ca 0.02 -0.90 -0.20 0.00 -1.41 0.00 0.00 57.07 54.58 1by5 s TYR 688 Cb -0.21 -0.31 -0.00 0.00 -1.10 0.00 0.00 41.96 40.34 1by5 s TYR 688 CO 0.03 -0.37 0.63 0.08 -2.51 0.00 0.00 175.55 173.42 1by5 s VAL 689 N -3.44 4.91 0.19 -3.49 1.01 -1.26 -0.06 120.40 118.25 1by5 s VAL 689 Ca 0.02 0.65 -0.12 0.00 0.00 0.00 0.00 61.98 62.54 1by5 s VAL 689 Cb 0.04 -4.05 0.11 0.00 0.00 0.00 0.00 36.38 32.48 1by5 s VAL 689 CO -0.08 -0.26 1.82 0.00 0.00 0.00 0.00 175.10 176.57 1by5 h ALA 690 N 8.39 0.84 0.00 5.51 0.00 -1.31 -3.45 119.26 129.24 1by5 h ALA 690 Ca -0.26 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1by5 h ALA 690 Cb 1.11 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1by5 h ALA 690 CO 0.82 0.34 0.00 -1.13 0.00 0.00 0.00 179.25 179.28 1by5 n SER 691 N -4.55 0.00 -3.78 0.00 3.41 -1.24 -4.93 113.62 102.53 1by5 n SER 691 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 1by5 n SER 691 Cb 0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.92 1by5 n SER 691 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1by5 n PHE 693 N 2.35 0.00 -3.64 0.00 1.16 -0.43 -3.87 117.46 113.03 1by5 n PHE 693 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.42 1by5 n PHE 693 Cb 0.57 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.43 1by5 n PHE 693 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1by5 s ASN 694 N -2.31 -0.09 0.54 5.98 3.84 0.13 -4.40 114.94 118.64 1by5 s ASN 694 Ca 0.14 -0.17 0.25 0.00 0.21 0.00 0.00 52.86 53.29 1by5 s ASN 694 Cb 0.15 0.22 1.43 0.00 -0.55 0.00 0.00 41.25 42.50 1by5 s ASN 694 CO 0.54 -0.40 2.03 0.71 -2.79 0.00 0.00 177.10 177.19 1by5 h THR 695 N 2.00 0.71 -0.50 -5.21 1.35 -1.95 -1.00 112.91 108.30 1by5 h THR 695 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1by5 h THR 695 Cb 1.21 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1by5 h THR 695 CO 0.28 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.55 1by5 n TYR 696 N -4.26 0.88 -3.42 4.73 0.18 -1.26 -0.10 117.16 113.91 1by5 n TYR 696 Ca 0.06 -0.57 -0.26 0.00 1.88 0.00 0.00 57.90 59.01 1by5 n TYR 696 Cb 0.48 -0.10 -0.09 0.00 -0.38 0.00 0.00 39.34 39.25 1by5 n TYR 696 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1by5 n GLY 697 N 0.82 3.15 3.60 -7.48 0.00 -0.38 -4.18 105.19 100.72 1by5 n GLY 697 Ca 0.19 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 1by5 n GLY 697 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1by5 s PHE 699 N -1.85 0.65 0.42 0.00 0.08 -0.49 -2.43 117.98 114.37 1by5 s PHE 699 Ca 0.27 -0.16 -0.24 0.00 0.12 0.00 0.00 56.93 56.91 1by5 s PHE 699 Cb -0.08 -0.62 -0.08 0.00 -0.57 0.00 0.00 43.02 41.67 1by5 s PHE 699 CO 0.17 -0.18 1.18 -1.58 -0.10 0.00 0.00 175.22 174.70 1by5 s TRP 700 N 0.98 2.99 0.88 0.36 0.52 -1.26 -0.99 118.94 122.41 1by5 s TRP 700 Ca -0.10 1.54 -0.13 0.00 0.02 0.00 0.00 56.10 57.42 1by5 s TRP 700 Cb -0.14 -3.41 0.13 0.00 -1.15 0.00 0.00 33.47 28.90 1by5 s TRP 700 CO -0.00 -1.44 1.21 0.20 0.02 0.00 0.00 176.95 176.94 1by5 s GLY 701 N -1.18 1.63 0.14 0.98 0.00 0.92 -2.17 107.32 107.64 1by5 s GLY 701 Ca 0.59 -0.77 -0.30 0.00 0.00 0.00 0.00 44.72 44.24 1by5 s GLY 701 CO 0.38 -0.19 1.19 0.00 0.00 0.00 0.00 173.10 174.48 1by5 s ALA 702 N -3.58 3.41 0.82 3.20 0.00 -1.26 -4.56 121.76 119.79 1by5 s ALA 702 Ca 0.66 0.90 -0.12 0.00 0.00 0.00 0.00 51.96 53.39 1by5 s ALA 702 Cb -0.10 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.69 1by5 s ALA 702 CO 0.51 -0.37 1.18 -1.83 0.00 0.00 0.00 175.76 175.24 1by5 s GLU 703 N 0.24 1.89 0.14 0.00 -1.05 -1.26 -4.90 118.70 113.76 1by5 s GLU 703 Ca 0.55 0.13 -0.33 0.00 -0.15 0.00 0.00 54.97 55.16 1by5 s GLU 703 Cb -0.31 -1.94 -0.17 0.00 -0.44 0.00 0.00 34.13 31.27 1by5 s GLU 703 CO 0.33 -1.65 1.06 -2.13 0.95 0.00 0.00 175.26 173.82 1by5 n ARG 704 N -3.36 0.78 -4.76 -4.83 0.63 -1.26 -4.86 116.66 99.01 1by5 n ARG 704 Ca 0.08 0.28 -0.26 0.00 -0.92 0.00 0.00 57.85 57.03 1by5 n ARG 704 Cb 0.61 -1.71 -0.16 0.00 0.45 0.00 0.00 32.46 31.65 1by5 n ARG 704 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1by5 s GLN 705 N -0.39 1.82 -0.12 -0.14 -0.21 -0.11 -4.99 119.66 115.51 1by5 s GLN 705 Ca 0.75 -0.55 -0.00 0.00 0.02 0.00 0.00 55.36 55.58 1by5 s GLN 705 Cb -0.94 -1.53 0.02 0.00 1.00 0.00 0.00 33.01 31.57 1by5 s GLN 705 CO 0.54 0.16 -0.10 0.54 -2.12 0.00 0.00 175.29 174.30 1by5 s VAL 706 N 0.29 1.19 -0.08 1.09 0.11 -1.26 -1.03 120.40 120.71 1by5 s VAL 706 Ca -0.09 -0.39 0.05 0.00 -2.93 0.00 0.00 61.98 58.61 1by5 s VAL 706 Cb -0.13 -1.18 -0.01 0.00 -1.53 0.00 0.00 36.38 33.53 1by5 s VAL 706 CO 0.03 0.40 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.28 1by5 s VAL 707 N 1.63 2.22 -0.22 2.04 1.01 -0.12 -1.31 120.40 125.64 1by5 s VAL 707 Ca 0.05 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 1by5 s VAL 707 Cb -0.13 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1by5 s VAL 707 CO -0.09 0.56 0.11 0.00 0.00 0.00 0.00 175.10 175.69 1by5 s ALA 708 N 0.03 3.44 -0.03 5.51 0.00 0.12 -0.36 121.76 130.47 1by5 s ALA 708 Ca -0.09 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.03 1by5 s ALA 708 Cb -0.15 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 1by5 s ALA 708 CO 0.05 -0.15 -0.22 0.99 0.00 0.00 0.00 175.76 176.44 1by5 s THR 709 N 0.98 1.73 -0.22 0.00 2.01 -0.28 -1.49 115.64 118.37 1by5 s THR 709 Ca 0.06 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 1by5 s THR 709 Cb -0.14 -1.45 0.07 0.00 0.01 0.00 0.00 72.50 70.99 1by5 s THR 709 CO 0.03 0.49 0.05 0.00 -0.69 0.00 0.00 174.62 174.50 1by5 s ALA 710 N -0.35 1.13 -0.22 7.40 0.00 0.06 -0.08 121.76 129.70 1by5 s ALA 710 Ca 0.04 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 1by5 s ALA 710 Cb -0.10 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.73 1by5 s ALA 710 CO 0.00 -1.30 -0.07 0.95 0.00 0.00 0.00 175.76 175.35 1by5 s THR 711 N 1.80 3.07 -0.10 0.00 -4.23 -0.63 0.16 115.64 115.72 1by5 s THR 711 Ca 0.01 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 59.83 1by5 s THR 711 Cb -0.17 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 1by5 s THR 711 CO -0.13 0.39 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.93 1by5 s PHE 712 N 1.42 3.01 -0.15 3.99 0.08 0.23 -1.82 117.98 124.74 1by5 s PHE 712 Ca 0.04 -0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.05 1by5 s PHE 712 Cb -0.15 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.51 1by5 s PHE 712 CO -0.05 0.24 -0.18 1.03 -0.10 0.00 0.00 175.22 176.16 1by5 s ARG 713 N -0.44 2.66 0.00 0.44 0.52 -1.26 0.07 118.95 120.94 1by5 s ARG 713 Ca 0.07 -0.71 0.25 0.00 -0.52 0.00 0.00 55.73 54.82 1by5 s ARG 713 Cb -0.12 -2.30 0.43 0.00 0.52 0.00 0.00 34.95 33.47 1by5 s ARG 713 CO 0.02 -0.17 1.39 1.19 0.02 0.00 0.00 175.30 177.76