#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i33 n PRO 2 N 0.00 2.25 -1.75 0.00 -0.02 -1.26 -4.89 135.00 129.33 1i33 n PRO 2 Ca 0.00 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 1i33 n PRO 2 Cb 0.00 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 30.85 1i33 n PRO 2 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1i33 s ILE 3 N 1.36 2.08 -0.54 4.25 1.01 -0.62 -4.62 121.20 124.12 1i33 s ILE 3 Ca 0.80 0.06 -0.20 0.00 0.00 0.00 0.00 60.65 61.31 1i33 s ILE 3 Cb -0.65 -3.04 0.06 0.00 0.01 0.00 0.00 42.46 38.84 1i33 s ILE 3 CO 0.39 0.01 0.72 -0.54 0.00 0.00 0.00 174.94 175.52 1i33 s LYS 4 N 0.91 3.15 0.20 2.79 -0.14 -1.26 0.31 119.74 125.69 1i33 s LYS 4 Ca 0.73 -0.84 0.10 0.00 -1.36 0.00 0.00 55.97 54.60 1i33 s LYS 4 Cb -0.49 -4.13 -0.04 0.00 -1.68 0.00 0.00 37.83 31.49 1i33 s LYS 4 CO 0.34 -1.37 -0.21 0.14 -0.76 0.00 0.00 175.35 173.49 1i33 s VAL 5 N 3.00 2.16 0.00 3.17 -7.23 -0.95 -0.83 120.40 119.73 1i33 s VAL 5 Ca 0.18 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 1i33 s VAL 5 Cb -0.19 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 1i33 s VAL 5 CO 0.12 -0.25 -0.10 -0.83 -0.31 0.00 0.00 175.10 173.73 1i33 s GLY 6 N -2.83 0.54 -0.27 2.32 0.00 -0.06 -1.60 107.32 105.41 1i33 s GLY 6 Ca 0.20 -0.51 -0.08 0.00 0.00 0.00 0.00 44.72 44.34 1i33 s GLY 6 CO 0.09 -0.45 0.09 -0.42 0.00 0.00 0.00 173.10 172.41 1i33 s ILE 7 N -0.40 4.29 -0.31 0.90 -1.09 -0.76 0.00 121.20 123.83 1i33 s ILE 7 Ca 0.03 -0.34 -0.16 0.00 -2.23 0.00 0.00 60.65 57.94 1i33 s ILE 7 Cb -0.05 -3.09 -0.02 0.00 -1.58 0.00 0.00 42.46 37.73 1i33 s ILE 7 CO -0.00 0.23 0.43 0.21 -1.23 0.00 0.00 174.94 174.58 1i33 s ASN 8 N 1.59 6.28 0.00 3.58 2.47 -0.17 0.59 114.94 129.28 1i33 s ASN 8 Ca 0.05 0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.45 1i33 s ASN 8 Cb -0.16 -2.23 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 1i33 s ASN 8 CO 0.04 -0.32 0.00 0.61 -3.72 0.00 0.00 177.10 173.71 1i33 n GLY 9 N 4.74 -0.62 2.79 1.21 0.00 0.23 -1.93 105.19 111.61 1i33 n GLY 9 Ca -0.07 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 1i33 n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1i33 n PHE 10 N 1.83 3.85 -1.15 1.61 7.35 -1.20 -4.26 117.46 125.49 1i33 n PHE 10 Ca 0.00 -3.71 0.00 0.00 -0.76 0.00 0.00 57.45 52.98 1i33 n PHE 10 Cb 0.00 -0.37 0.00 0.00 0.35 0.00 0.00 39.48 39.46 1i33 n PHE 10 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1i33 n GLY 11 N -0.32 1.95 0.42 7.13 0.00 -1.26 -4.62 105.19 108.48 1i33 n GLY 11 Ca 0.34 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 1i33 n GLY 11 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1i33 h ARG 12 N 0.00 -0.63 -0.30 1.61 2.47 -1.95 -0.18 114.38 115.40 1i33 h ARG 12 Ca 0.00 0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1i33 h ARG 12 Cb 0.00 0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 1i33 h ARG 12 CO 0.00 -0.42 0.19 0.82 0.56 0.00 0.00 179.97 181.12 1i33 h ILE 13 N -0.65 1.06 0.09 2.04 1.08 -1.95 -0.75 117.51 118.42 1i33 h ILE 13 Ca 0.02 -0.13 0.02 0.00 -0.39 0.00 0.00 64.86 64.38 1i33 h ILE 13 Cb 0.68 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 1i33 h ILE 13 CO -0.25 0.07 -0.30 1.23 -0.69 0.00 0.00 178.15 178.21 1i33 h GLY 14 N 0.38 -0.54 0.99 5.37 0.00 -1.67 -1.68 103.07 105.93 1i33 h GLY 14 Ca 0.11 0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 1i33 h GLY 14 CO -0.04 -0.23 -0.22 3.21 0.00 0.00 0.00 176.54 179.26 1i33 h ARG 15 N -0.50 -0.59 -0.96 4.80 3.08 -0.92 -1.61 114.38 117.68 1i33 h ARG 15 Ca 0.04 0.04 0.29 0.00 0.07 0.00 0.00 59.98 60.42 1i33 h ARG 15 Cb 0.54 0.13 -0.17 0.00 0.08 0.00 0.00 29.97 30.56 1i33 h ARG 15 CO -0.20 -0.39 0.22 0.52 -1.07 0.00 0.00 179.97 179.06 1i33 h MET 16 N -0.61 0.08 -0.07 0.04 2.86 -1.01 0.83 114.93 117.06 1i33 h MET 16 Ca -0.06 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1i33 h MET 16 Cb 0.47 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1i33 h MET 16 CO 0.09 0.05 0.01 0.28 1.06 0.00 0.00 176.91 178.40 1i33 h VAL 17 N 0.08 1.22 -0.14 -2.22 2.07 -0.86 0.15 116.25 116.55 1i33 h VAL 17 Ca 0.64 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1i33 h VAL 17 Cb 1.43 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1i33 h VAL 17 CO -0.80 0.19 0.05 0.15 0.02 0.00 0.00 177.57 177.19 1i33 h PHE 18 N -0.13 0.10 -0.44 1.57 3.57 0.10 -1.98 116.94 119.72 1i33 h PHE 18 Ca 0.02 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1i33 h PHE 18 Cb 0.29 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 1i33 h PHE 18 CO 0.02 0.05 0.15 1.96 -2.23 0.00 0.00 178.31 178.26 1i33 h GLN 19 N 0.12 0.31 -0.49 1.11 4.20 0.46 0.08 115.11 120.91 1i33 h GLN 19 Ca 0.06 -0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.88 1i33 h GLN 19 Cb 0.03 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1i33 h GLN 19 CO -0.06 0.21 0.35 0.00 -0.67 0.00 0.00 178.83 178.66 1i33 h ALA 20 N 1.29 2.39 0.03 3.87 0.00 -0.26 0.39 119.26 126.97 1i33 h ALA 20 Ca 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1i33 h ALA 20 Cb 0.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1i33 h ALA 20 CO -0.21 -0.53 -0.01 0.82 0.00 0.00 0.00 179.25 179.32 1i33 h ILE 21 N 0.06 1.42 -0.97 0.00 2.04 -0.28 -2.60 117.51 117.17 1i33 h ILE 21 Ca 0.23 -1.57 0.04 0.00 1.00 0.00 0.00 64.86 64.56 1i33 h ILE 21 Cb 0.86 2.45 -0.06 0.00 -0.74 0.00 0.00 36.82 39.33 1i33 h ILE 21 CO -0.01 0.39 0.64 0.00 0.00 0.00 0.00 178.15 179.16 1i33 h ASP 23 N 1.23 0.97 0.00 0.00 3.58 -0.29 -1.23 116.42 120.67 1i33 h ASP 23 Ca 0.39 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1i33 h ASP 23 Cb 0.01 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.81 1i33 h ASP 23 CO -0.12 0.90 0.00 0.00 -2.88 0.00 0.00 179.24 177.13 1i33 n GLN 24 N -4.35 0.79 -1.52 0.28 6.02 -0.98 -4.85 117.38 112.76 1i33 n GLN 24 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.93 1i33 n GLN 24 Cb 0.20 -1.39 -0.04 0.00 1.02 0.00 0.00 30.24 30.02 1i33 n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i33 n GLY 25 N 0.52 0.95 0.08 1.08 0.00 -0.46 -4.90 105.19 102.45 1i33 n GLY 25 Ca 0.15 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 1i33 n GLY 25 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1i33 h LEU 26 N 0.00 0.12 -9.08 0.99 4.07 -1.65 -3.45 115.31 106.31 1i33 h LEU 26 Ca -0.24 -0.15 -0.80 0.00 0.08 0.00 0.00 57.88 56.77 1i33 h LEU 26 Cb 0.84 -0.04 0.02 0.00 1.08 0.00 0.00 40.66 42.56 1i33 h LEU 26 CO 0.33 1.12 0.71 0.00 -1.08 0.00 0.00 178.44 179.53 1i33 n ILE 27 N -3.33 0.13 0.00 1.22 0.13 -1.24 -1.27 119.36 115.00 1i33 n ILE 27 Ca -0.07 -0.02 0.00 0.00 -1.10 0.00 0.00 62.75 61.55 1i33 n ILE 27 Cb 0.99 -0.79 0.00 0.00 -0.84 0.00 0.00 39.64 39.00 1i33 n ILE 27 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1i33 n GLY 28 N 3.77 2.21 0.05 4.50 0.00 0.17 -4.73 105.19 111.17 1i33 n GLY 28 Ca 0.27 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1i33 n GLY 28 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1i33 h THR 29 N 0.00 0.00 0.17 2.61 1.35 -1.70 -3.41 112.91 111.92 1i33 h THR 29 Ca 0.00 -0.15 -0.28 0.00 -0.55 0.00 0.00 66.41 65.44 1i33 h THR 29 Cb 0.00 0.00 0.02 0.00 -1.73 0.00 0.00 68.15 66.44 1i33 h THR 29 CO 0.00 0.00 -1.31 -0.33 -0.25 0.00 0.00 175.52 173.63 1i33 h GLU 30 N -0.26 0.35 -6.61 4.72 4.39 -1.47 -3.38 114.58 112.32 1i33 h GLU 30 Ca -0.01 -0.60 -0.70 0.00 0.34 0.00 0.00 59.36 58.38 1i33 h GLU 30 Cb 0.09 0.22 -0.30 0.00 -0.10 0.00 0.00 28.75 28.66 1i33 h GLU 30 CO 0.02 1.29 -0.89 0.42 -1.16 0.00 0.00 179.01 178.69 1i33 s ILE 31 N -2.51 2.07 -0.56 3.13 1.01 -0.77 -1.59 121.20 121.98 1i33 s ILE 31 Ca -0.15 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 59.39 1i33 s ILE 31 Cb 0.03 -1.71 0.14 0.00 0.01 0.00 0.00 42.46 40.93 1i33 s ILE 31 CO 0.84 0.57 0.34 -0.62 0.00 0.00 0.00 174.94 176.07 1i33 s ASP 32 N -0.64 4.73 -0.88 3.58 -1.08 0.15 0.42 116.67 122.95 1i33 s ASP 32 Ca 0.10 -2.94 -0.25 0.00 -0.52 0.00 0.00 52.55 48.95 1i33 s ASP 32 Cb -0.10 -1.73 -0.01 0.00 -1.46 0.00 0.00 42.92 39.61 1i33 s ASP 32 CO -0.01 -0.29 1.76 -0.69 0.52 0.00 0.00 175.17 176.46 1i33 s VAL 33 N -0.18 3.57 0.08 1.11 1.01 -1.26 -2.24 120.40 122.50 1i33 s VAL 33 Ca 0.17 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.59 1i33 s VAL 33 Cb -0.23 -4.33 -0.15 0.00 0.00 0.00 0.00 36.38 31.67 1i33 s VAL 33 CO -0.02 -1.26 1.71 0.58 0.00 0.00 0.00 175.10 176.11 1i33 h VAL 34 N 7.00 1.03 -3.01 2.92 2.07 -1.61 -3.41 116.25 121.23 1i33 h VAL 34 Ca 0.04 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1i33 h VAL 34 Cb 1.03 1.07 -0.10 0.00 -1.52 0.00 0.00 31.29 31.78 1i33 h VAL 34 CO 1.27 0.02 0.21 0.00 0.02 0.00 0.00 177.57 179.09 1i33 s ALA 35 N -6.05 -1.45 0.01 1.67 0.00 -1.26 -1.75 121.76 112.93 1i33 s ALA 35 Ca -0.13 0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.10 1i33 s ALA 35 Cb 0.06 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 1i33 s ALA 35 CO 0.66 -0.86 -0.20 0.14 0.00 0.00 0.00 175.76 175.50 1i33 s VAL 36 N -3.81 1.62 -0.02 0.00 -7.23 -0.28 -1.84 120.40 108.85 1i33 s VAL 36 Ca 0.04 -0.99 0.04 0.00 -1.81 0.00 0.00 61.98 59.26 1i33 s VAL 36 Cb -0.03 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 1i33 s VAL 36 CO -0.06 0.35 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.28 1i33 s VAL 37 N -0.60 3.33 -0.07 1.32 1.01 0.20 -1.24 120.40 124.35 1i33 s VAL 37 Ca 0.08 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 1i33 s VAL 37 Cb -0.08 -2.39 0.12 0.00 0.00 0.00 0.00 36.38 34.03 1i33 s VAL 37 CO 0.00 0.47 1.08 -0.62 0.00 0.00 0.00 175.10 176.04 1i33 s ASP 38 N -1.13 -0.21 0.63 3.32 -1.08 -1.14 0.75 116.67 117.82 1i33 s ASP 38 Ca 0.14 -0.06 0.28 0.00 -0.52 0.00 0.00 52.55 52.39 1i33 s ASP 38 Cb -0.11 0.26 1.47 0.00 -1.46 0.00 0.00 42.92 43.09 1i33 s ASP 38 CO 0.04 -0.44 1.86 0.24 0.52 0.00 0.00 175.17 177.38 1i33 h MET 39 N 2.00 0.00 -5.95 4.34 2.86 -1.93 -2.17 114.93 114.07 1i33 h MET 39 Ca -0.18 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 56.94 1i33 h MET 39 Cb 1.20 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 32.68 1i33 h MET 39 CO 0.27 0.00 -0.79 0.45 1.06 0.00 0.00 176.91 177.90 1i33 s SER 40 N -4.68 2.64 -0.11 1.22 0.15 -1.26 -4.73 113.70 106.92 1i33 s SER 40 Ca -0.04 -0.83 0.15 0.00 0.70 0.00 0.00 55.95 55.93 1i33 s SER 40 Cb 0.11 -0.15 0.26 0.00 -1.71 0.00 0.00 66.02 64.53 1i33 s SER 40 CO 0.38 -0.02 1.13 0.35 1.20 0.00 0.00 173.24 176.28 1i33 n THR 41 N 0.42 1.53 -2.16 6.45 -2.24 -1.26 -4.87 114.28 112.15 1i33 n THR 41 Ca -0.14 -1.96 -0.30 0.00 -2.27 0.00 0.00 64.05 59.38 1i33 n THR 41 Cb 0.56 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.69 1i33 n THR 41 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1i33 s ASN 42 N -2.57 5.39 0.30 3.42 3.84 -1.26 -4.14 114.94 119.92 1i33 s ASN 42 Ca 0.27 -1.36 0.04 0.00 0.21 0.00 0.00 52.86 52.02 1i33 s ASN 42 Cb 0.25 -2.58 0.65 0.00 -0.55 0.00 0.00 41.25 39.02 1i33 s ASN 42 CO 0.00 -2.62 1.81 0.00 -2.79 0.00 0.00 177.10 173.51 1i33 h ALA 43 N 10.10 1.61 -0.53 1.71 0.00 -1.70 -1.05 119.26 129.39 1i33 h ALA 43 Ca 0.19 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1i33 h ALA 43 Cb 0.96 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1i33 h ALA 43 CO 1.26 0.09 0.25 0.93 0.00 0.00 0.00 179.25 181.79 1i33 h GLU 44 N 0.88 0.47 -0.59 0.00 5.08 -1.88 0.21 114.58 118.76 1i33 h GLU 44 Ca 0.53 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.82 1i33 h GLU 44 Cb 0.68 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1i33 h GLU 44 CO -0.31 0.31 0.20 -0.92 -1.00 0.00 0.00 179.01 177.29 1i33 h TYR 45 N 0.48 0.94 -0.21 4.33 3.20 -1.61 -1.40 116.97 122.71 1i33 h TYR 45 Ca 0.24 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1i33 h TYR 45 Cb 0.18 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1i33 h TYR 45 CO -0.11 0.78 0.13 0.74 -1.64 0.00 0.00 178.16 178.05 1i33 h PHE 46 N 0.83 0.25 -0.52 -3.82 0.04 -0.66 -0.67 116.94 112.38 1i33 h PHE 46 Ca 0.19 0.01 0.10 0.00 2.80 0.00 0.00 57.97 61.07 1i33 h PHE 46 Cb 0.27 -0.08 -0.09 0.00 2.20 0.00 0.00 35.95 38.24 1i33 h PHE 46 CO 0.02 0.16 -0.04 0.00 -0.60 0.00 0.00 178.31 177.84 1i33 h ALA 47 N 1.08 0.45 -0.02 2.45 0.00 -0.33 0.51 119.26 123.41 1i33 h ALA 47 Ca 0.08 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1i33 h ALA 47 Cb -0.03 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1i33 h ALA 47 CO -0.02 -0.41 -0.05 -0.92 0.00 0.00 0.00 179.25 177.85 1i33 h TYR 48 N 0.08 -0.13 -0.48 0.00 3.20 -0.92 -0.06 116.97 118.66 1i33 h TYR 48 Ca 0.26 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.19 1i33 h TYR 48 Cb 0.40 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 1i33 h TYR 48 CO -0.36 -0.09 0.32 1.96 -1.64 0.00 0.00 178.16 178.35 1i33 h GLN 49 N -0.09 0.42 0.10 1.82 4.20 -0.12 -1.90 115.11 119.54 1i33 h GLN 49 Ca 0.03 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1i33 h GLN 49 Cb 0.13 -0.10 0.02 0.00 0.30 0.00 0.00 27.48 27.83 1i33 h GLN 49 CO -0.07 0.28 -0.65 0.52 -0.67 0.00 0.00 178.83 178.24 1i33 h MET 50 N 0.43 0.27 0.00 1.46 2.86 -0.40 -3.29 114.93 116.26 1i33 h MET 50 Ca 0.20 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1i33 h MET 50 Cb 0.26 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1i33 h MET 50 CO -0.05 1.18 0.00 1.63 1.06 0.00 0.00 176.91 180.73 1i33 n LYS 51 N -4.22 0.17 -3.58 1.72 5.02 -0.08 -4.37 118.16 112.81 1i33 n LYS 51 Ca -0.13 0.15 -0.29 0.00 -2.02 0.00 0.00 58.31 56.02 1i33 n LYS 51 Cb 0.74 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.12 1i33 n LYS 51 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1i33 s HIS 52 N -2.70 1.18 -0.16 2.13 3.76 -0.74 -4.62 115.29 114.14 1i33 s HIS 52 Ca 0.14 -1.79 -0.01 0.00 -0.15 0.00 0.00 55.06 53.25 1i33 s HIS 52 Cb 0.11 -1.31 -0.01 0.00 1.11 0.00 0.00 32.58 32.49 1i33 s HIS 52 CO 0.27 -0.82 -0.11 0.34 -0.85 0.00 0.00 174.74 173.57 1i33 s ASP 53 N 1.05 4.02 0.22 1.40 3.68 -1.17 -4.79 116.67 121.07 1i33 s ASP 53 Ca 0.16 -0.37 -0.08 0.00 2.13 0.00 0.00 52.55 54.39 1i33 s ASP 53 Cb -0.22 -1.63 0.18 0.00 -1.45 0.00 0.00 42.92 39.80 1i33 s ASP 53 CO -0.07 0.11 1.84 0.74 0.13 0.00 0.00 175.17 177.92 1i33 h THR 54 N 5.52 1.25 0.00 1.71 2.02 -1.96 -1.63 112.91 119.82 1i33 h THR 54 Ca -0.31 -0.61 -0.24 0.00 0.77 0.00 0.00 66.41 66.01 1i33 h THR 54 Cb 1.19 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1i33 h THR 54 CO 0.58 0.28 -1.47 0.52 0.37 0.00 0.00 175.52 175.80 1i33 n VAL 55 N -4.38 1.51 1.21 3.16 0.31 -1.26 -4.50 118.33 114.38 1i33 n VAL 55 Ca 0.08 -0.07 0.13 0.00 -0.01 0.00 0.00 64.34 64.47 1i33 n VAL 55 Cb 0.10 -2.08 0.44 0.00 -0.91 0.00 0.00 33.84 31.38 1i33 n VAL 55 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1i33 n HIS 56 N -4.42 0.00 -4.24 3.52 8.25 -1.26 -4.97 115.22 112.10 1i33 n HIS 56 Ca -0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 1i33 n HIS 56 Cb 0.66 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1i33 n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i33 n GLY 57 N 1.38 -0.31 3.79 -1.41 0.00 -0.61 -4.86 105.19 103.17 1i33 n GLY 57 Ca 0.11 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 1i33 n GLY 57 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i33 s ARG 58 N 0.00 4.49 0.42 1.61 6.06 -1.26 -3.05 118.95 127.21 1i33 s ARG 58 Ca 0.00 1.09 -0.23 0.00 -2.50 0.00 0.00 55.73 54.09 1i33 s ARG 58 Cb 0.00 -3.16 -0.09 0.00 0.06 0.00 0.00 34.95 31.76 1i33 s ARG 58 CO 0.00 0.52 1.03 -1.25 -2.50 0.00 0.00 175.30 173.11 1i33 s PRO 59 N -1.36 4.11 0.00 5.12 0.04 -1.26 -4.95 135.00 136.70 1i33 s PRO 59 Ca 0.38 1.44 0.24 0.00 0.04 0.00 0.00 61.00 63.09 1i33 s PRO 59 Cb -0.21 -2.43 1.43 0.00 0.04 0.00 0.00 34.50 33.33 1i33 s PRO 59 CO 0.25 -0.17 1.88 1.63 0.04 0.00 0.00 177.00 180.63 1i33 n LYS 60 N -0.28 0.93 -4.59 4.56 4.76 -1.26 -4.81 118.16 117.47 1i33 n LYS 60 Ca 0.06 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.22 1i33 n LYS 60 Cb 0.51 -1.40 -0.11 0.00 -1.84 0.00 0.00 35.03 32.19 1i33 n LYS 60 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1i33 s TYR 61 N -2.00 2.51 -0.08 2.13 -0.85 -1.26 -5.13 117.35 112.67 1i33 s TYR 61 Ca 0.36 -0.65 -0.11 0.00 -0.52 0.00 0.00 57.07 56.16 1i33 s TYR 61 Cb 0.17 -1.74 -0.05 0.00 0.38 0.00 0.00 41.96 40.72 1i33 s TYR 61 CO 0.28 0.46 0.26 0.95 -1.52 0.00 0.00 175.55 175.98 1i33 s THR 62 N -2.69 5.30 -0.09 -3.49 -4.23 -1.26 -5.04 115.64 104.14 1i33 s THR 62 Ca 0.35 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 1i33 s THR 62 Cb 0.09 -3.55 0.02 0.00 1.34 0.00 0.00 72.50 70.40 1i33 s THR 62 CO 0.18 0.57 -0.07 -0.69 -0.54 0.00 0.00 174.62 174.07 1i33 s VAL 63 N -0.83 0.88 0.00 2.29 1.01 -1.26 -3.15 120.40 119.35 1i33 s VAL 63 Ca 0.18 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1i33 s VAL 63 Cb -0.14 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 1i33 s VAL 63 CO 0.07 0.33 -0.03 -0.70 0.00 0.00 0.00 175.10 174.77 1i33 s GLU 64 N 1.46 0.26 -0.05 2.72 2.12 -0.95 -4.98 118.70 119.28 1i33 s GLU 64 Ca -0.01 -0.19 -0.15 0.00 0.36 0.00 0.00 54.97 54.98 1i33 s GLU 64 Cb -0.13 -0.20 -0.05 0.00 0.26 0.00 0.00 34.13 34.00 1i33 s GLU 64 CO -0.05 0.05 0.40 0.00 -0.54 0.00 0.00 175.26 175.12 1i33 s ALA 65 N -0.28 3.64 0.26 6.30 0.00 -1.26 -1.11 121.76 129.31 1i33 s ALA 65 Ca -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.70 1i33 s ALA 65 Cb -0.02 -2.43 -0.05 0.00 0.00 0.00 0.00 23.12 20.62 1i33 s ALA 65 CO -0.00 0.33 0.12 0.14 0.00 0.00 0.00 175.76 176.35 1i33 s VAL 66 N -0.50 0.40 -0.14 0.00 -7.23 0.36 -4.94 120.40 108.34 1i33 s VAL 66 Ca 0.23 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.34 1i33 s VAL 66 Cb -0.16 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 1i33 s VAL 66 CO 0.11 0.00 0.07 -0.54 -0.31 0.00 0.00 175.10 174.43 1i33 s LYS 67 N -4.00 3.58 0.37 4.82 1.02 -1.26 -1.54 119.74 122.73 1i33 s LYS 67 Ca 0.37 -0.30 0.09 0.00 0.02 0.00 0.00 55.97 56.15 1i33 s LYS 67 Cb 0.07 -3.10 0.71 0.00 -0.52 0.00 0.00 37.83 34.99 1i33 s LYS 67 CO 0.14 0.52 1.87 0.66 -0.92 0.00 0.00 175.35 177.62 1i33 h SER 68 N 5.84 0.23 -3.58 2.83 4.64 -1.93 -3.42 113.55 118.16 1i33 h SER 68 Ca -0.45 -0.06 -0.28 0.00 -0.47 0.00 0.00 61.79 60.53 1i33 h SER 68 Cb 1.19 -0.06 -0.32 0.00 -0.31 0.00 0.00 62.40 62.90 1i33 h SER 68 CO 0.63 0.43 -0.72 -0.44 -0.87 0.00 0.00 176.83 175.87 1i33 s SER 69 N -6.88 0.04 0.00 4.97 0.01 -1.26 -5.02 113.70 105.57 1i33 s SER 69 Ca -0.05 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1i33 s SER 69 Cb 0.15 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1i33 s SER 69 CO 0.74 -0.09 0.81 -0.81 0.41 0.00 0.00 173.24 174.30 1i33 n PRO 70 N 3.85 0.00 0.15 12.44 -0.04 -1.26 -0.69 135.00 149.45 1i33 n PRO 70 Ca -0.23 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1i33 n PRO 70 Cb 0.53 -1.64 0.11 0.00 -0.04 0.00 0.00 33.50 32.46 1i33 n PRO 70 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1i33 h SER 71 N 0.00 0.00 -3.92 3.54 0.02 -1.96 -3.46 113.55 107.77 1i33 h SER 71 Ca 0.00 -0.02 -0.51 0.00 -0.84 0.00 0.00 61.79 60.42 1i33 h SER 71 Cb 0.28 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.87 1i33 h SER 71 CO 0.00 0.01 0.52 0.68 -1.14 0.00 0.00 176.83 176.90 1i33 s VAL 72 N -3.27 3.12 0.02 2.27 -7.23 0.14 -4.96 120.40 110.50 1i33 s VAL 72 Ca 0.04 1.00 -0.21 0.00 -1.81 0.00 0.00 61.98 60.99 1i33 s VAL 72 Cb 0.08 -3.58 -0.16 0.00 0.56 0.00 0.00 36.38 33.28 1i33 s VAL 72 CO 0.72 0.14 1.31 1.05 -0.31 0.00 0.00 175.10 178.01 1i33 h GLU 73 N 2.90 0.29 -5.70 4.82 9.09 -1.90 -3.45 114.58 120.63 1i33 h GLU 73 Ca -0.48 -0.16 -0.56 0.00 0.05 0.00 0.00 59.36 58.21 1i33 h GLU 73 Cb 1.23 0.01 -0.30 0.00 -1.65 0.00 0.00 28.75 28.04 1i33 h GLU 73 CO 0.63 0.71 -0.84 0.95 0.05 0.00 0.00 179.01 180.51 1i33 s THR 74 N -4.23 1.43 0.20 -1.06 -4.23 -1.26 -5.10 115.64 101.39 1i33 s THR 74 Ca -0.14 -0.77 -0.30 0.00 -1.18 0.00 0.00 61.69 59.30 1i33 s THR 74 Cb 0.04 -1.19 -0.16 0.00 1.34 0.00 0.00 72.50 72.53 1i33 s THR 74 CO 0.74 0.41 0.82 0.00 -0.54 0.00 0.00 174.62 176.05 1i33 n ALA 75 N 2.67 -1.81 -0.64 3.99 0.00 -1.26 -4.89 120.51 118.57 1i33 n ALA 75 Ca -0.15 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1i33 n ALA 75 Cb 0.54 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1i33 n ALA 75 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1i33 n ASP 76 N 1.73 0.83 -4.05 0.00 5.75 -0.86 -1.94 116.55 118.02 1i33 n ASP 76 Ca 0.15 -1.47 -0.21 0.00 -0.01 0.00 0.00 54.79 53.26 1i33 n ASP 76 Cb 0.25 -0.02 -0.15 0.00 -1.03 0.00 0.00 41.12 40.18 1i33 n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1i33 s VAL 77 N -0.45 0.90 -0.15 2.12 1.01 -0.59 -1.41 120.40 121.83 1i33 s VAL 77 Ca 0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 1i33 s VAL 77 Cb 0.01 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1i33 s VAL 77 CO 0.00 0.26 -0.01 -0.22 0.00 0.00 0.00 175.10 175.13 1i33 s LEU 78 N -0.12 3.42 -0.21 3.92 2.96 0.12 -0.49 118.68 128.27 1i33 s LEU 78 Ca 0.02 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1i33 s LEU 78 Cb -0.06 -1.83 0.04 0.00 0.50 0.00 0.00 46.19 44.84 1i33 s LEU 78 CO -0.00 0.20 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.38 1i33 s VAL 79 N 0.21 2.03 -0.22 1.68 1.01 -0.26 0.18 120.40 125.03 1i33 s VAL 79 Ca -0.00 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 60.80 1i33 s VAL 79 Cb -0.13 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.30 1i33 s VAL 79 CO 0.02 0.28 -0.15 -0.69 0.00 0.00 0.00 175.10 174.56 1i33 s VAL 80 N 1.24 2.09 -1.49 2.92 1.01 0.68 -2.24 120.40 124.61 1i33 s VAL 80 Ca -0.01 -1.29 -0.12 0.00 0.00 0.00 0.00 61.98 60.56 1i33 s VAL 80 Cb -0.16 -2.06 0.07 0.00 0.00 0.00 0.00 36.38 34.22 1i33 s VAL 80 CO -0.09 0.24 0.90 0.59 0.00 0.00 0.00 175.10 176.74 1i33 n ASN 81 N 4.53 -5.03 0.00 3.32 3.02 -1.19 -1.21 115.26 118.70 1i33 n ASN 81 Ca -0.17 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1i33 n ASN 81 Cb 0.46 -4.02 0.00 0.00 -0.61 0.00 0.00 39.78 35.60 1i33 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i33 n GLY 82 N -1.64 3.16 3.74 7.41 0.00 -1.26 -5.03 105.19 111.57 1i33 n GLY 82 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1i33 n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1i33 s HIS 83 N -2.27 3.87 -0.17 1.61 5.04 -0.35 -5.04 115.29 117.99 1i33 s HIS 83 Ca 0.00 1.79 -0.11 0.00 -1.54 0.00 0.00 55.06 55.20 1i33 s HIS 83 Cb 0.00 -2.98 -0.05 0.00 0.04 0.00 0.00 32.58 29.60 1i33 s HIS 83 CO 0.00 0.33 0.20 1.03 -2.34 0.00 0.00 174.74 173.96 1i33 s ARG 84 N -0.52 4.11 -0.18 2.88 0.52 -1.26 -0.23 118.95 124.27 1i33 s ARG 84 Ca 0.43 -0.08 0.01 0.00 -0.52 0.00 0.00 55.73 55.57 1i33 s ARG 84 Cb -0.24 -3.38 0.03 0.00 0.52 0.00 0.00 34.95 31.88 1i33 s ARG 84 CO 0.29 0.36 -0.11 0.42 0.02 0.00 0.00 175.30 176.28 1i33 s ILE 85 N 0.16 1.57 0.27 1.52 1.09 0.48 -4.81 121.20 121.49 1i33 s ILE 85 Ca 0.12 -0.83 -0.29 0.00 -1.10 0.00 0.00 60.65 58.55 1i33 s ILE 85 Cb -0.12 -1.58 -0.10 0.00 -1.06 0.00 0.00 42.46 39.60 1i33 s ILE 85 CO 0.01 0.28 1.23 -0.54 -0.10 0.00 0.00 174.94 175.82 1i33 s LYS 86 N 1.45 4.47 -0.54 2.79 -0.14 -0.72 0.11 119.74 127.17 1i33 s LYS 86 Ca 0.01 2.02 -0.11 0.00 -1.36 0.00 0.00 55.97 56.53 1i33 s LYS 86 Cb -0.15 -3.15 0.14 0.00 -1.68 0.00 0.00 37.83 32.99 1i33 s LYS 86 CO -0.09 -0.06 0.44 0.00 -0.76 0.00 0.00 175.35 174.88 1i33 s VAL 88 N 1.19 4.70 0.33 0.00 1.01 -0.37 -4.78 120.40 122.47 1i33 s VAL 88 Ca 0.07 0.98 -0.28 0.00 0.00 0.00 0.00 61.98 62.75 1i33 s VAL 88 Cb -0.25 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1i33 s VAL 88 CO -0.01 0.01 1.10 -0.75 0.00 0.00 0.00 175.10 175.45 1i33 s LYS 89 N -2.51 4.44 0.76 2.72 2.47 -1.26 -2.89 119.74 123.47 1i33 s LYS 89 Ca 0.48 1.75 -0.12 0.00 -1.56 0.00 0.00 55.97 56.52 1i33 s LYS 89 Cb -0.13 -2.96 0.05 0.00 -1.46 0.00 0.00 37.83 33.33 1i33 s LYS 89 CO 0.19 0.05 1.11 0.00 0.16 0.00 0.00 175.35 176.86 1i33 s ALA 90 N -1.32 2.21 0.09 3.13 0.00 -0.82 -4.73 121.76 120.33 1i33 s ALA 90 Ca 0.49 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.90 1i33 s ALA 90 Cb -0.30 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1i33 s ALA 90 CO 0.38 -1.76 -0.09 -0.65 0.00 0.00 0.00 175.76 173.64 1i33 s GLN 91 N -4.61 0.80 0.02 0.00 -1.52 -1.26 -4.97 119.66 108.12 1i33 s GLN 91 Ca 0.64 -1.14 -0.26 0.00 -1.95 0.00 0.00 55.36 52.66 1i33 s GLN 91 Cb -0.19 -0.43 -0.16 0.00 -0.22 0.00 0.00 33.01 32.00 1i33 s GLN 91 CO 0.52 0.06 1.24 0.00 -0.25 0.00 0.00 175.29 176.85 1i33 h ARG 92 N 3.58 -0.55 -5.03 2.91 3.08 -1.98 -3.42 114.38 112.97 1i33 h ARG 92 Ca -0.37 0.04 -0.63 0.00 0.07 0.00 0.00 59.98 59.09 1i33 h ARG 92 Cb 1.19 0.13 -0.18 0.00 0.08 0.00 0.00 29.97 31.18 1i33 h ARG 92 CO 0.53 -0.25 -0.55 1.21 -1.07 0.00 0.00 179.97 179.84 1i33 s ASN 93 N -4.88 5.72 0.43 7.04 2.47 -1.26 -4.97 114.94 119.49 1i33 s ASN 93 Ca -0.14 -0.02 0.25 0.00 0.42 0.00 0.00 52.86 53.36 1i33 s ASN 93 Cb 0.02 -2.03 1.26 0.00 -1.45 0.00 0.00 41.25 39.05 1i33 s ASN 93 CO 0.52 0.02 1.74 -0.65 -3.72 0.00 0.00 177.10 175.01 1i33 h PRO 94 N 7.81 0.24 -0.01 0.43 0.11 -1.88 0.35 132.00 139.06 1i33 h PRO 94 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1i33 h PRO 94 Cb 1.18 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1i33 h PRO 94 CO 0.61 0.16 0.09 0.00 -0.21 0.00 0.00 178.00 178.65 1i33 h ALA 95 N 1.57 1.17 -0.11 -0.75 0.00 -1.89 0.17 119.26 119.42 1i33 h ALA 95 Ca 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.56 1i33 h ALA 95 Cb 1.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1i33 h ALA 95 CO -0.28 -0.10 0.00 -0.25 0.00 0.00 0.00 179.25 178.63 1i33 n ASP 96 N -3.14 1.41 -4.76 0.00 8.00 0.12 -4.25 116.55 113.95 1i33 n ASP 96 Ca -0.02 -1.61 -0.40 0.00 0.71 0.00 0.00 54.79 53.47 1i33 n ASP 96 Cb 0.16 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 1i33 n ASP 96 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i33 s LEU 97 N -1.68 4.58 0.00 0.64 1.43 0.61 -4.95 118.68 119.30 1i33 s LEU 97 Ca 0.34 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1i33 s LEU 97 Cb 0.18 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.96 1i33 s LEU 97 CO 0.28 0.12 1.00 -0.81 0.23 0.00 0.00 176.35 177.17 1i33 n PRO 98 N 1.93 0.65 -0.07 1.29 -0.04 -1.26 -4.53 135.00 132.97 1i33 n PRO 98 Ca -0.03 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.36 1i33 n PRO 98 Cb 0.48 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.76 1i33 n PRO 98 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1i33 h TRP 99 N 1.40 -0.58 -0.64 0.54 -0.00 -1.88 0.28 115.95 115.07 1i33 h TRP 99 Ca 0.00 0.04 -0.06 0.00 -0.00 0.00 0.00 58.89 58.87 1i33 h TRP 99 Cb 0.65 0.30 -0.03 0.00 -0.00 0.00 0.00 29.16 30.09 1i33 h TRP 99 CO 0.17 -0.30 0.17 0.78 -0.00 0.00 0.00 178.44 179.27 1i33 h GLY 100 N -0.20 1.08 2.00 1.49 0.00 -1.41 0.85 103.07 106.88 1i33 h GLY 100 Ca 0.16 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1i33 h GLY 100 CO -0.41 0.62 -0.09 1.70 0.00 0.00 0.00 176.54 178.36 1i33 h LYS 101 N 0.93 0.00 0.00 4.80 3.64 -1.58 -2.17 116.57 122.19 1i33 h LYS 101 Ca 0.20 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1i33 h LYS 101 Cb 0.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1i33 h LYS 101 CO -0.00 0.09 -1.29 1.28 -2.27 0.00 0.00 179.45 177.26 1i33 n LEU 102 N -3.35 0.69 0.00 5.20 4.77 0.89 -4.97 117.00 120.22 1i33 n LEU 102 Ca -0.01 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1i33 n LEU 102 Cb 0.27 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1i33 n LEU 102 CO 0.28 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1i33 n GLY 103 N 1.25 1.04 3.70 -0.72 0.00 -0.01 -5.04 105.19 105.40 1i33 n GLY 103 Ca -0.03 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 1i33 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i33 s VAL 104 N -2.00 5.08 -0.23 1.61 1.01 0.08 -4.82 120.40 121.14 1i33 s VAL 104 Ca 0.00 1.18 -0.02 0.00 0.00 0.00 0.00 61.98 63.14 1i33 s VAL 104 Cb 0.00 -3.93 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 1i33 s VAL 104 CO 0.00 0.22 -0.23 0.47 0.00 0.00 0.00 175.10 175.56 1i33 n ASP 105 N 4.24 2.09 -4.29 3.32 8.00 -0.25 -4.15 116.55 125.51 1i33 n ASP 105 Ca -0.03 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.11 1i33 n ASP 105 Cb 0.51 -0.46 -0.13 0.00 -0.02 0.00 0.00 41.12 41.02 1i33 n ASP 105 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1i33 s TYR 106 N -2.44 3.16 -0.21 1.24 1.51 -0.01 -0.61 117.35 119.99 1i33 s TYR 106 Ca -0.31 -1.26 -0.09 0.00 -1.01 0.00 0.00 57.07 54.41 1i33 s TYR 106 Cb 0.09 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 1i33 s TYR 106 CO 0.49 -0.66 0.10 0.08 -1.11 0.00 0.00 175.55 174.45 1i33 s VAL 107 N 1.42 4.98 -0.43 0.71 1.01 -0.72 -0.89 120.40 126.48 1i33 s VAL 107 Ca 0.01 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1i33 s VAL 107 Cb -0.18 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.94 1i33 s VAL 107 CO 0.01 0.40 0.65 -0.63 0.00 0.00 0.00 175.10 175.53 1i33 s ILE 108 N 0.79 4.83 -0.69 2.22 1.01 0.10 -1.15 121.20 128.32 1i33 s ILE 108 Ca 0.05 0.17 -0.22 0.00 0.00 0.00 0.00 60.65 60.66 1i33 s ILE 108 Cb -0.13 -4.20 0.08 0.00 0.01 0.00 0.00 42.46 38.22 1i33 s ILE 108 CO 0.02 -0.57 0.98 -0.70 0.00 0.00 0.00 174.94 174.66 1i33 s GLU 109 N 2.83 3.16 -0.31 2.79 2.56 0.11 -1.00 118.70 128.84 1i33 s GLU 109 Ca 0.23 -0.96 0.12 0.00 0.00 0.00 0.00 54.97 54.36 1i33 s GLU 109 Cb -0.14 -4.32 0.47 0.00 2.00 0.00 0.00 34.13 32.14 1i33 s GLU 109 CO 0.19 -1.81 1.13 -1.13 -0.56 0.00 0.00 175.26 173.08 1i33 n SER 110 N 7.54 3.60 -0.06 -1.70 3.41 -0.81 -1.55 113.62 124.05 1i33 n SER 110 Ca -0.01 -3.17 0.00 0.00 -0.26 0.00 0.00 58.87 55.44 1i33 n SER 110 Cb 0.46 -0.42 -0.16 0.00 -0.26 0.00 0.00 64.21 63.82 1i33 n SER 110 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1i33 n THR 111 N -0.56 0.70 -0.94 6.66 -2.24 -1.23 -4.48 114.28 112.18 1i33 n THR 111 Ca 0.29 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1i33 n THR 111 Cb 0.85 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1i33 n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i33 n GLY 112 N 1.51 0.65 0.03 3.38 0.00 -1.26 -4.87 105.19 104.63 1i33 n GLY 112 Ca -0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.89 1i33 n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i33 n LEU 113 N 0.00 0.69 -2.57 0.99 4.77 -1.26 -4.58 117.00 115.04 1i33 n LEU 113 Ca 0.00 -0.53 -0.21 0.00 -0.03 0.00 0.00 56.01 55.24 1i33 n LEU 113 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1i33 n LEU 113 CO 0.00 0.16 0.08 0.49 -1.33 0.00 0.00 177.39 176.79 1i33 n PHE 114 N -1.18 2.62 0.97 -1.77 3.72 -1.26 -4.84 117.46 115.72 1i33 n PHE 114 Ca 0.03 -3.06 0.01 0.00 -0.05 0.00 0.00 57.45 54.37 1i33 n PHE 114 Cb 0.21 -0.20 0.03 0.00 -0.94 0.00 0.00 39.48 38.58 1i33 n PHE 114 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1i33 n THR 115 N -0.31 0.21 -4.87 4.37 -2.24 -1.26 -4.20 114.28 105.98 1i33 n THR 115 Ca 0.28 -0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.62 1i33 n THR 115 Cb 0.70 -0.41 -0.16 0.00 -2.10 0.00 0.00 70.33 68.36 1i33 n THR 115 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i33 s ASP 116 N -0.19 3.54 0.28 3.42 2.15 -1.26 -0.86 116.67 123.75 1i33 s ASP 116 Ca 0.05 -0.46 0.04 0.00 0.43 0.00 0.00 52.55 52.60 1i33 s ASP 116 Cb 0.03 -1.52 0.75 0.00 -0.30 0.00 0.00 42.92 41.88 1i33 s ASP 116 CO 0.02 0.14 1.37 1.17 -0.17 0.00 0.00 175.17 177.69 1i33 n LYS 117 N 3.69 -0.07 0.19 4.34 3.00 -0.81 -0.76 118.16 127.75 1i33 n LYS 117 Ca -0.19 1.29 -0.08 0.00 -0.00 0.00 0.00 58.31 59.33 1i33 n LYS 117 Cb 0.52 -2.09 -0.04 0.00 0.00 0.00 0.00 35.03 33.43 1i33 n LYS 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1i33 h LEU 118 N 0.00 -0.46 -0.95 3.14 4.07 -1.86 -3.01 115.31 116.25 1i33 h LEU 118 Ca 0.56 0.02 0.18 0.00 0.08 0.00 0.00 57.88 58.72 1i33 h LEU 118 Cb 1.22 0.12 -0.11 0.00 1.08 0.00 0.00 40.66 42.98 1i33 h LEU 118 CO -0.80 -0.13 0.54 0.11 -1.08 0.00 0.00 178.44 177.08 1i33 h LYS 119 N -0.93 0.67 0.00 1.13 1.57 -1.72 0.23 116.57 117.51 1i33 h LYS 119 Ca -0.05 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1i33 h LYS 119 Cb 0.41 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1i33 h LYS 119 CO 0.09 0.44 -0.14 0.00 -0.57 0.00 0.00 179.45 179.27 1i33 h ALA 120 N 1.63 1.71 0.00 3.86 0.00 -1.02 -2.28 119.26 123.16 1i33 h ALA 120 Ca 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1i33 h ALA 120 Cb 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1i33 h ALA 120 CO -0.39 0.18 0.00 0.39 0.00 0.00 0.00 179.25 179.42 1i33 n GLU 121 N -4.29 0.16 -0.23 0.00 1.02 0.07 -2.18 120.64 115.18 1i33 n GLU 121 Ca -0.03 0.52 0.05 0.00 -0.02 0.00 0.00 57.16 57.68 1i33 n GLU 121 Cb 0.21 -1.90 0.29 0.00 -0.02 0.00 0.00 31.44 30.03 1i33 n GLU 121 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1i33 h GLY 122 N 1.18 1.11 0.43 0.62 0.00 -1.48 -1.14 103.07 103.78 1i33 h GLY 122 Ca 0.00 -0.36 0.12 0.00 0.00 0.00 0.00 47.33 47.09 1i33 h GLY 122 CO 0.00 0.28 0.59 0.45 0.00 0.00 0.00 176.54 177.85 1i33 h HIS 123 N 0.90 1.06 -0.29 5.60 3.86 -1.65 0.11 115.15 124.74 1i33 h HIS 123 Ca 0.33 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.53 1i33 h HIS 123 Cb 0.18 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 1i33 h HIS 123 CO -0.00 0.40 -0.01 0.82 0.86 0.00 0.00 177.93 179.99 1i33 h ILE 124 N 0.91 1.26 0.00 2.45 2.04 -1.40 -1.31 117.51 121.46 1i33 h ILE 124 Ca 0.48 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1i33 h ILE 124 Cb 0.51 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1i33 h ILE 124 CO -0.28 0.31 0.00 0.29 0.00 0.00 0.00 178.15 178.47 1i33 n LYS 125 N -4.56 0.04 -0.18 2.37 5.02 -0.01 -0.25 118.16 120.58 1i33 n LYS 125 Ca -0.03 0.47 0.11 0.00 -2.02 0.00 0.00 58.31 56.84 1i33 n LYS 125 Cb 0.27 -1.62 0.26 0.00 -0.02 0.00 0.00 35.03 33.92 1i33 n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i33 n GLY 126 N -1.05 1.37 0.00 0.72 0.00 0.19 -4.90 105.19 101.53 1i33 n GLY 126 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1i33 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i33 n GLY 127 N 1.40 1.72 3.77 -0.02 0.00 0.65 -1.45 105.19 111.26 1i33 n GLY 127 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1i33 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i33 s ALA 128 N -2.14 2.62 -0.19 4.61 0.00 -0.59 -4.17 121.76 121.90 1i33 s ALA 128 Ca 0.00 0.87 -0.00 0.00 0.00 0.00 0.00 51.96 52.83 1i33 s ALA 128 Cb 0.00 -3.39 -0.21 0.00 0.00 0.00 0.00 23.12 19.52 1i33 s ALA 128 CO 0.00 -0.95 0.05 1.17 0.00 0.00 0.00 175.76 176.03 1i33 n LYS 129 N -1.49 0.70 -4.03 0.00 4.81 -0.20 -4.20 118.16 113.75 1i33 n LYS 129 Ca 0.12 0.19 -0.08 0.00 -0.87 0.00 0.00 58.31 57.68 1i33 n LYS 129 Cb 0.51 -1.60 -0.09 0.00 0.02 0.00 0.00 35.03 33.86 1i33 n LYS 129 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1i33 s LYS 130 N -2.54 0.66 -0.03 1.64 -0.14 0.23 -4.94 119.74 114.62 1i33 s LYS 130 Ca -0.28 -1.14 -0.01 0.00 -1.36 0.00 0.00 55.97 53.19 1i33 s LYS 130 Cb 0.08 0.24 0.03 0.00 -1.68 0.00 0.00 37.83 36.50 1i33 s LYS 130 CO 0.69 -0.15 0.05 0.08 -0.76 0.00 0.00 175.35 175.26 1i33 s VAL 131 N -3.85 -0.08 -0.19 3.17 1.01 0.16 -1.76 120.40 118.85 1i33 s VAL 131 Ca 0.06 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.28 1i33 s VAL 131 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 1i33 s VAL 131 CO -0.10 0.13 0.03 -0.69 0.00 0.00 0.00 175.10 174.46 1i33 s VAL 132 N 1.53 4.32 -0.36 2.92 1.01 -0.30 -1.13 120.40 128.40 1i33 s VAL 132 Ca -0.03 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 1i33 s VAL 132 Cb -0.13 -2.95 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 1i33 s VAL 132 CO -0.03 0.43 0.35 -0.63 0.00 0.00 0.00 175.10 175.22 1i33 s ILE 133 N 0.77 5.18 -0.27 2.22 1.01 0.67 0.08 121.20 130.87 1i33 s ILE 133 Ca 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 1i33 s ILE 133 Cb -0.14 -3.86 -0.18 0.00 0.01 0.00 0.00 42.46 38.29 1i33 s ILE 133 CO 0.02 -0.16 2.89 -1.54 0.00 0.00 0.00 174.94 176.14 1i33 n SER 134 N 5.35 4.73 0.00 3.58 3.41 -0.59 -2.27 113.62 127.83 1i33 n SER 134 Ca -0.10 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.20 1i33 n SER 134 Cb 0.49 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 1i33 n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i33 n ALA 135 N 2.87 0.00 -1.77 7.33 0.00 -1.24 -4.93 120.51 122.78 1i33 n ALA 135 Ca 0.40 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.44 1i33 n ALA 135 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.07 1i33 n ALA 135 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1i33 s PRO 136 N -2.00 3.82 0.14 0.00 0.02 -1.17 -4.24 135.00 131.57 1i33 s PRO 136 Ca 0.00 2.48 0.10 0.00 0.02 0.00 0.00 61.00 63.60 1i33 s PRO 136 Cb 0.00 -2.76 -0.04 0.00 0.02 0.00 0.00 34.50 31.72 1i33 s PRO 136 CO 0.00 -0.73 -0.22 0.00 -0.33 0.00 0.00 177.00 175.71 1i33 s ALA 137 N -1.17 2.12 0.00 -1.55 0.00 -1.26 -4.85 121.76 115.05 1i33 s ALA 137 Ca 0.58 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1i33 s ALA 137 Cb -0.45 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1i33 s ALA 137 CO 0.59 0.38 0.00 -1.13 0.00 0.00 0.00 175.76 175.60 1i33 n SER 138 N 0.70 0.93 0.00 0.00 3.41 -0.04 -4.65 113.62 113.97 1i33 n SER 138 Ca -0.16 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 1i33 n SER 138 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1i33 n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i33 n GLY 139 N 5.00 0.30 1.02 5.00 0.00 -1.26 -1.92 105.19 113.32 1i33 n GLY 139 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1i33 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i33 n GLY 140 N -1.35 0.45 3.87 -0.02 0.00 -1.26 -4.67 105.19 102.21 1i33 n GLY 140 Ca 0.00 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1i33 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i33 s ALA 141 N -3.00 3.83 -0.17 4.61 0.00 -1.22 -5.01 121.76 120.80 1i33 s ALA 141 Ca 0.00 -0.52 -0.31 0.00 0.00 0.00 0.00 51.96 51.13 1i33 s ALA 141 Cb -0.00 -2.10 -0.08 0.00 0.00 0.00 0.00 23.12 20.93 1i33 s ALA 141 CO 0.00 0.60 2.11 1.17 0.00 0.00 0.00 175.76 179.64 1i33 n LYS 142 N 1.53 2.00 -3.40 0.00 3.00 -1.22 -4.71 118.16 115.37 1i33 n LYS 142 Ca -0.15 0.63 -0.38 0.00 -0.00 0.00 0.00 58.31 58.42 1i33 n LYS 142 Cb 0.53 -2.94 -0.06 0.00 0.00 0.00 0.00 35.03 32.57 1i33 n LYS 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1i33 s THR 143 N 6.62 5.13 0.04 3.15 2.01 -1.26 -0.68 115.64 130.66 1i33 s THR 143 Ca 0.99 0.89 0.04 0.00 0.31 0.00 0.00 61.69 63.91 1i33 s THR 143 Cb -0.52 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.20 1i33 s THR 143 CO 0.42 0.42 -0.12 -0.63 -0.69 0.00 0.00 174.62 174.03 1i33 s ILE 144 N -0.01 0.90 -0.29 1.82 1.01 0.77 -4.80 121.20 120.60 1i33 s ILE 144 Ca 0.24 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1i33 s ILE 144 Cb -0.16 -0.86 0.09 0.00 0.01 0.00 0.00 42.46 41.54 1i33 s ILE 144 CO 0.11 -0.14 0.04 -0.69 0.00 0.00 0.00 174.94 174.26 1i33 s VAL 145 N -1.03 1.39 -0.08 2.92 1.01 -1.26 -4.13 120.40 119.22 1i33 s VAL 145 Ca -0.02 -1.53 -0.39 0.00 0.00 0.00 0.00 61.98 60.04 1i33 s VAL 145 Cb -0.08 -1.92 -0.17 0.00 0.00 0.00 0.00 36.38 34.21 1i33 s VAL 145 CO 0.01 -0.46 1.44 0.23 0.00 0.00 0.00 175.10 176.32 1i33 n MET 146 N 4.66 0.90 -0.23 2.72 0.00 -1.26 -0.71 117.12 123.20 1i33 n MET 146 Ca -0.04 0.33 0.00 0.00 0.00 0.00 0.00 57.70 57.99 1i33 n MET 146 Cb 0.43 -1.95 0.00 0.00 0.00 0.00 0.00 33.22 31.70 1i33 n MET 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1i33 n GLY 147 N 2.97 0.62 0.00 3.03 0.00 -1.26 -4.88 105.19 105.68 1i33 n GLY 147 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1i33 n GLY 147 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1i33 n VAL 148 N -2.01 0.00 -2.15 1.61 0.31 0.11 -4.95 118.33 111.25 1i33 n VAL 148 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1i33 n VAL 148 Cb 0.00 -0.30 -0.03 0.00 -0.91 0.00 0.00 33.84 32.60 1i33 n VAL 148 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1i33 n ASN 149 N -1.99 -1.04 0.25 4.52 6.94 -1.14 -4.92 115.26 117.87 1i33 n ASN 149 Ca 0.00 -2.05 0.11 0.00 -0.02 0.00 0.00 54.58 52.63 1i33 n ASN 149 Cb 0.28 0.36 0.63 0.00 -2.36 0.00 0.00 39.78 38.69 1i33 n ASN 149 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1i33 h GLN 150 N 0.24 0.00 0.00 -3.83 -0.00 -1.94 -1.48 115.11 108.09 1i33 h GLN 150 Ca -0.54 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.11 1i33 h GLN 150 Cb 1.40 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.88 1i33 h GLN 150 CO -0.26 0.17 0.00 1.12 -0.00 0.00 0.00 178.83 179.86 1i33 h HIS 151 N 0.00 0.00 -0.18 0.06 2.07 -1.96 -0.75 115.15 114.40 1i33 h HIS 151 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1i33 h HIS 151 Cb 0.46 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.44 1i33 h HIS 151 CO 0.00 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.25 1i33 n GLU 152 N -2.52 1.50 -2.94 5.12 1.02 -0.56 -4.83 120.64 117.43 1i33 n GLU 152 Ca -0.00 -0.67 -0.41 0.00 -0.02 0.00 0.00 57.16 56.06 1i33 n GLU 152 Cb 0.13 -1.22 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 1i33 n GLU 152 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1i33 s TYR 153 N -1.71 3.56 -0.33 -0.32 5.04 -0.29 -5.05 117.35 118.25 1i33 s TYR 153 Ca 0.12 1.34 -0.03 0.00 -2.44 0.00 0.00 57.07 56.06 1i33 s TYR 153 Cb 0.07 -2.92 0.06 0.00 0.35 0.00 0.00 41.96 39.52 1i33 s TYR 153 CO 0.08 -0.01 0.06 0.45 -1.34 0.00 0.00 175.55 174.79 1i33 s SER 154 N 0.93 5.06 0.61 4.32 0.15 -1.26 -4.99 113.70 118.52 1i33 s SER 154 Ca 0.41 -1.40 0.27 0.00 0.70 0.00 0.00 55.95 55.93 1i33 s SER 154 Cb -0.18 -1.77 1.31 0.00 -1.71 0.00 0.00 66.02 63.67 1i33 s SER 154 CO 0.19 -0.33 1.73 -0.65 1.20 0.00 0.00 173.24 175.37 1i33 h PRO 155 N 8.06 0.00 0.00 5.44 0.11 -1.90 -0.45 132.00 143.26 1i33 h PRO 155 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1i33 h PRO 155 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1i33 h PRO 155 CO 0.58 0.00 -0.72 0.00 -0.21 0.00 0.00 178.00 177.65 1i33 n ALA 156 N -2.24 3.83 -0.07 -0.75 0.00 -1.26 -4.68 120.51 115.34 1i33 n ALA 156 Ca 0.10 -0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.03 1i33 n ALA 156 Cb 0.86 -0.52 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 1i33 n ALA 156 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1i33 n SER 157 N -1.37 2.70 -4.55 0.00 7.64 -0.31 -4.95 113.62 112.79 1i33 n SER 157 Ca 0.03 -0.05 -0.41 0.00 1.01 0.00 0.00 58.87 59.44 1i33 n SER 157 Cb 0.23 -0.25 -0.09 0.00 -1.01 0.00 0.00 64.21 63.09 1i33 n SER 157 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1i33 s HIS 158 N -2.29 3.21 -0.04 1.43 3.76 -0.42 -4.89 115.29 116.05 1i33 s HIS 158 Ca -0.20 0.00 0.08 0.00 -0.15 0.00 0.00 55.06 54.79 1i33 s HIS 158 Cb 0.05 -2.70 -0.12 0.00 1.11 0.00 0.00 32.58 30.92 1i33 s HIS 158 CO 0.33 -0.44 0.12 0.72 -0.85 0.00 0.00 174.74 174.62 1i33 n HIS 159 N 5.43 0.00 -3.99 1.40 -0.00 -1.26 -4.74 115.22 112.05 1i33 n HIS 159 Ca -0.09 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.32 1i33 n HIS 159 Cb 0.49 -0.28 -0.15 0.00 -0.00 0.00 0.00 29.99 30.06 1i33 n HIS 159 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1i33 s VAL 160 N -2.44 2.00 0.07 1.59 1.01 -1.26 -0.67 120.40 120.70 1i33 s VAL 160 Ca -0.03 -1.91 0.03 0.00 0.00 0.00 0.00 61.98 60.06 1i33 s VAL 160 Cb 0.04 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1i33 s VAL 160 CO 0.35 -0.39 0.06 -0.69 0.00 0.00 0.00 175.10 174.42 1i33 s VAL 161 N 1.10 4.42 -0.07 2.92 1.01 -0.28 -3.38 120.40 126.12 1i33 s VAL 161 Ca 0.03 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1i33 s VAL 161 Cb -0.19 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1i33 s VAL 161 CO -0.09 0.16 -0.18 -0.55 0.00 0.00 0.00 175.10 174.44 1i33 s SER 162 N -2.27 3.65 -0.19 3.32 0.15 0.15 -0.24 113.70 118.27 1i33 s SER 162 Ca 0.27 -0.35 0.11 0.00 0.70 0.00 0.00 55.95 56.68 1i33 s SER 162 Cb -0.12 -1.03 0.64 0.00 -1.71 0.00 0.00 66.02 63.80 1i33 s SER 162 CO 0.20 0.26 1.48 -3.20 1.20 0.00 0.00 173.24 173.18 1i33 n ASN 163 N 2.86 4.69 0.00 5.45 4.05 -0.96 -0.16 115.26 131.18 1i33 n ASN 163 Ca -0.17 -2.73 0.00 0.00 0.45 0.00 0.00 54.58 52.12 1i33 n ASN 163 Cb 0.52 -0.65 0.00 0.00 1.23 0.00 0.00 39.78 40.88 1i33 n ASN 163 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1i33 n ALA 164 N 0.47 0.00 -2.63 5.20 0.00 -1.26 -4.83 120.51 117.46 1i33 n ALA 164 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.43 1i33 n ALA 164 Cb 1.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.38 1i33 n ALA 164 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1i33 s SER 165 N -4.00 4.68 0.26 0.00 1.04 -1.26 -3.04 113.70 111.38 1i33 s SER 165 Ca 0.00 -0.64 -0.05 0.00 0.48 0.00 0.00 55.95 55.74 1i33 s SER 165 Cb 0.00 -0.87 0.32 0.00 0.10 0.00 0.00 66.02 65.57 1i33 s SER 165 CO 0.00 -0.09 1.92 0.00 0.98 0.00 0.00 173.24 176.05 1i33 h THR 167 N 1.30 1.23 -0.04 0.00 2.02 -1.95 -2.81 112.91 112.67 1i33 h THR 167 Ca 0.38 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1i33 h THR 167 Cb -0.07 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1i33 h THR 167 CO -0.10 0.22 -0.09 0.74 0.37 0.00 0.00 175.52 176.65 1i33 h THR 168 N -0.04 1.09 0.00 3.16 2.02 -1.73 -0.71 112.91 116.70 1i33 h THR 168 Ca 0.04 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1i33 h THR 168 Cb 0.33 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1i33 h THR 168 CO 0.00 0.12 0.00 0.59 0.37 0.00 0.00 175.52 176.61 1i33 n ASN 169 N -4.40 0.30 -0.11 4.18 3.02 -0.22 -1.80 115.26 116.23 1i33 n ASN 169 Ca -0.02 0.57 -0.24 0.00 -0.03 0.00 0.00 54.58 54.86 1i33 n ASN 169 Cb 0.19 -0.64 -0.11 0.00 -0.61 0.00 0.00 39.78 38.61 1i33 n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i33 h LEU 171 N -0.62 -0.45 -0.63 0.00 5.85 -1.27 -3.32 115.31 114.89 1i33 h LEU 171 Ca -0.57 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.24 1i33 h LEU 171 Cb 1.68 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 42.74 1i33 h LEU 171 CO -0.24 -0.30 -0.29 0.00 -0.34 0.00 0.00 178.44 177.27 1i33 n ALA 172 N -2.30 -0.20 -0.14 1.25 0.00 -0.75 0.11 120.51 118.48 1i33 n ALA 172 Ca -0.07 0.59 -0.04 0.00 0.00 0.00 0.00 53.44 53.92 1i33 n ALA 172 Cb 0.21 -0.21 0.02 0.00 0.00 0.00 0.00 19.45 19.48 1i33 n ALA 172 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1i33 h PRO 173 N 0.00 -0.08 0.28 0.00 0.11 -1.78 0.78 132.00 131.31 1i33 h PRO 173 Ca 0.17 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1i33 h PRO 173 Cb 0.33 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1i33 h PRO 173 CO -0.61 -0.05 -0.31 0.82 -0.21 0.00 0.00 178.00 177.64 1i33 h ILE 174 N -0.08 0.35 -0.21 4.15 1.08 -0.43 -1.81 117.51 120.56 1i33 h ILE 174 Ca 0.22 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.71 1i33 h ILE 174 Cb 0.42 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 1i33 h ILE 174 CO -0.52 0.00 0.14 0.58 -0.69 0.00 0.00 178.15 177.66 1i33 h VAL 175 N -0.63 1.01 -0.01 1.67 2.07 -0.73 -0.47 116.25 119.16 1i33 h VAL 175 Ca -0.01 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1i33 h VAL 175 Cb 0.59 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1i33 h VAL 175 CO -0.08 0.04 0.01 -0.74 0.02 0.00 0.00 177.57 176.81 1i33 h HIS 176 N 0.21 0.02 -0.24 1.57 -0.00 0.13 -1.81 115.15 115.03 1i33 h HIS 176 Ca 0.08 -0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.30 1i33 h HIS 176 Cb 0.09 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 1i33 h HIS 176 CO -0.00 0.13 -0.49 -0.39 -0.00 0.00 0.00 177.93 177.18 1i33 h VAL 177 N -0.10 1.30 -0.64 5.26 -1.51 -0.79 -0.05 116.25 119.72 1i33 h VAL 177 Ca 0.00 -1.70 0.11 0.00 -1.23 0.00 0.00 66.70 63.89 1i33 h VAL 177 Cb 0.11 1.65 -0.04 0.00 -2.13 0.00 0.00 31.29 30.88 1i33 h VAL 177 CO -0.00 0.54 0.43 -0.07 -1.23 0.00 0.00 177.57 177.24 1i33 h LEU 178 N 0.51 0.37 0.11 4.19 3.38 -0.95 0.34 115.31 123.26 1i33 h LEU 178 Ca 0.02 0.01 -0.35 0.00 0.09 0.00 0.00 57.88 57.66 1i33 h LEU 178 Cb 1.03 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1i33 h LEU 178 CO 0.10 0.21 -1.90 0.71 0.09 0.00 0.00 178.44 177.65 1i33 h THR 179 N 0.40 0.72 -0.51 0.22 1.35 -1.12 -1.43 112.91 112.56 1i33 h THR 179 Ca 0.30 -2.44 -0.10 0.00 -0.55 0.00 0.00 66.41 63.62 1i33 h THR 179 Cb 0.64 2.54 -0.02 0.00 -1.73 0.00 0.00 68.15 69.58 1i33 h THR 179 CO -0.09 0.83 -0.06 0.50 -0.25 0.00 0.00 175.52 176.45 1i33 h LYS 180 N 0.06 0.93 -0.93 4.72 3.64 -0.53 -2.15 116.57 122.32 1i33 h LYS 180 Ca -0.38 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 58.67 1i33 h LYS 180 Cb 2.04 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 1i33 h LYS 180 CO 0.10 0.99 0.00 0.39 -2.27 0.00 0.00 179.45 178.66 1i33 n GLU 181 N -4.25 0.92 -4.02 1.90 -0.58 0.11 -4.84 120.64 109.89 1i33 n GLU 181 Ca 0.01 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.42 1i33 n GLU 181 Cb 0.36 -1.42 -0.02 0.00 -0.57 0.00 0.00 31.44 29.80 1i33 n GLU 181 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1i33 n ASN 182 N 0.09 -3.60 0.16 1.62 3.02 -0.81 -4.83 115.26 110.92 1i33 n ASN 182 Ca 0.00 -0.85 0.09 0.00 -0.03 0.00 0.00 54.58 53.78 1i33 n ASN 182 Cb 0.25 -2.94 0.08 0.00 -0.61 0.00 0.00 39.78 36.57 1i33 n ASN 182 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1i33 h PHE 183 N -1.46 0.00 -1.62 3.10 0.04 -1.45 -3.47 116.94 112.07 1i33 h PHE 183 Ca -0.55 0.00 0.17 0.00 2.80 0.00 0.00 57.97 60.39 1i33 h PHE 183 Cb 1.36 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.43 1i33 h PHE 183 CO 0.64 0.17 -0.51 0.41 -0.60 0.00 0.00 178.31 178.42 1i33 n GLY 184 N 1.17 -2.60 2.78 -1.45 0.00 -1.11 -2.17 105.19 101.80 1i33 n GLY 184 Ca 0.02 -1.29 -0.08 0.00 0.00 0.00 0.00 46.02 44.67 1i33 n GLY 184 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1i33 s ILE 185 N -3.06 -0.76 0.07 -0.61 2.07 -1.26 -3.95 121.20 113.70 1i33 s ILE 185 Ca 0.00 -1.08 -0.19 0.00 -1.41 0.00 0.00 60.65 57.97 1i33 s ILE 185 Cb 0.00 -0.23 -0.06 0.00 0.13 0.00 0.00 42.46 42.29 1i33 s ILE 185 CO 0.00 -0.22 1.31 -0.08 -1.91 0.00 0.00 174.94 174.03 1i33 h GLU 186 N 5.56 -0.24 -4.41 3.50 4.81 -1.44 -3.45 114.58 118.91 1i33 h GLU 186 Ca 0.09 0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.14 1i33 h GLU 186 Cb 1.09 0.05 -0.14 0.00 0.63 0.00 0.00 28.75 30.38 1i33 h GLU 186 CO 0.09 -0.16 -0.56 0.95 -0.73 0.00 0.00 179.01 178.60 1i33 s THR 187 N -4.49 0.03 -0.26 0.32 -4.23 -1.26 -4.86 115.64 100.90 1i33 s THR 187 Ca -0.08 -1.88 -0.26 0.00 -1.18 0.00 0.00 61.69 58.29 1i33 s THR 187 Cb 0.05 -2.30 0.10 0.00 1.34 0.00 0.00 72.50 71.69 1i33 s THR 187 CO 0.34 -0.15 0.90 -0.83 -0.54 0.00 0.00 174.62 174.35 1i33 s GLY 188 N -3.10 -0.32 -0.10 3.99 0.00 -0.39 -2.53 107.32 104.88 1i33 s GLY 188 Ca 0.32 2.33 0.02 0.00 0.00 0.00 0.00 44.72 47.39 1i33 s GLY 188 CO 0.08 1.70 -0.14 1.08 0.00 0.00 0.00 173.10 175.82 1i33 s LEU 189 N 0.11 1.64 -0.09 0.66 1.02 0.49 -2.71 118.68 119.81 1i33 s LEU 189 Ca 0.01 -0.38 0.03 0.00 0.02 0.00 0.00 54.13 53.81 1i33 s LEU 189 Cb -0.04 -1.00 0.00 0.00 0.02 0.00 0.00 46.19 45.17 1i33 s LEU 189 CO -0.02 0.01 -0.20 0.00 0.02 0.00 0.00 176.35 176.15 1i33 s MET 190 N 0.98 2.58 0.02 1.70 0.23 -0.87 -0.90 119.30 123.05 1i33 s MET 190 Ca -0.07 -0.72 0.00 0.00 -1.03 0.00 0.00 55.69 53.87 1i33 s MET 190 Cb -0.15 -1.99 -0.04 0.00 -1.53 0.00 0.00 34.83 31.12 1i33 s MET 190 CO -0.01 0.13 0.09 0.99 -2.03 0.00 0.00 175.02 174.20 1i33 s THR 191 N 0.44 4.74 -0.07 3.16 2.01 -0.78 -1.95 115.64 123.19 1i33 s THR 191 Ca -0.17 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 1i33 s THR 191 Cb -0.17 -3.21 0.03 0.00 0.01 0.00 0.00 72.50 69.15 1i33 s THR 191 CO 0.07 0.28 -0.02 0.28 -0.69 0.00 0.00 174.62 174.53 1i33 s THR 192 N -1.27 0.54 -0.56 -0.82 -1.32 -0.83 -0.39 115.64 111.00 1i33 s THR 192 Ca 0.25 -0.01 -0.23 0.00 -1.21 0.00 0.00 61.69 60.49 1i33 s THR 192 Cb -0.12 -0.64 0.05 0.00 -1.51 0.00 0.00 72.50 70.28 1i33 s THR 192 CO 0.17 0.27 0.86 -0.63 -2.21 0.00 0.00 174.62 173.09 1i33 s ILE 193 N 1.66 4.50 -0.06 5.08 1.09 -0.21 -0.25 121.20 133.03 1i33 s ILE 193 Ca 0.01 -0.03 -0.02 0.00 -1.10 0.00 0.00 60.65 59.52 1i33 s ILE 193 Cb -0.13 -4.50 -0.04 0.00 -1.06 0.00 0.00 42.46 36.74 1i33 s ILE 193 CO -0.04 -1.09 0.03 -2.28 -0.10 0.00 0.00 174.94 171.46 1i33 s HIS 194 N 3.62 3.22 0.47 3.97 2.46 -0.36 -1.24 115.29 127.43 1i33 s HIS 194 Ca 0.25 0.21 -0.21 0.00 0.47 0.00 0.00 55.06 55.78 1i33 s HIS 194 Cb -0.15 -1.78 -0.08 0.00 -0.13 0.00 0.00 32.58 30.44 1i33 s HIS 194 CO 0.16 0.51 1.06 -1.12 -2.47 0.00 0.00 174.74 172.88 1i33 s SER 195 N -1.18 6.37 0.65 9.88 0.01 -1.26 -0.33 113.70 127.84 1i33 s SER 195 Ca 0.16 2.00 -0.18 0.00 1.31 0.00 0.00 55.95 59.24 1i33 s SER 195 Cb -0.12 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 1i33 s SER 195 CO 0.06 -0.76 1.27 -0.72 0.41 0.00 0.00 173.24 173.50 1i33 s TYR 196 N -1.87 2.11 0.00 2.43 -0.85 -0.93 -4.76 117.35 113.49 1i33 s TYR 196 Ca 0.65 1.50 0.00 0.00 -0.52 0.00 0.00 57.07 58.71 1i33 s TYR 196 Cb -0.19 -3.64 0.00 0.00 0.38 0.00 0.00 41.96 38.51 1i33 s TYR 196 CO 0.23 -2.79 0.00 0.25 -1.52 0.00 0.00 175.55 171.72 1i33 n THR 197 N -1.97 0.00 -0.11 -3.49 -2.24 -1.26 -4.81 114.28 100.40 1i33 n THR 197 Ca 0.15 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.81 1i33 n THR 197 Cb 0.49 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 1i33 n THR 197 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i33 h ALA 198 N 0.78 0.44 0.00 6.98 0.00 -1.99 -3.06 119.26 122.42 1i33 h ALA 198 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1i33 h ALA 198 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1i33 h ALA 198 CO 0.00 0.34 0.01 0.25 0.00 0.00 0.00 179.25 179.85 1i33 n THR 199 N -4.38 1.83 -3.03 0.00 -2.24 -1.26 -4.69 114.28 100.50 1i33 n THR 199 Ca -0.03 0.47 -0.28 0.00 -2.27 0.00 0.00 64.05 61.94 1i33 n THR 199 Cb 0.38 -1.47 -0.02 0.00 -2.10 0.00 0.00 70.33 67.11 1i33 n THR 199 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1i33 s GLN 200 N -2.91 3.63 -0.02 -0.78 -0.21 -1.16 -4.92 119.66 113.29 1i33 s GLN 200 Ca 0.00 0.14 -0.07 0.00 0.02 0.00 0.00 55.36 55.46 1i33 s GLN 200 Cb 0.00 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.46 1i33 s GLN 200 CO 0.00 0.03 0.25 0.15 -2.12 0.00 0.00 175.29 173.60 1i33 s LYS 201 N -4.02 3.56 0.18 2.91 3.01 -1.26 -4.97 119.74 119.15 1i33 s LYS 201 Ca 0.46 -0.08 -0.07 0.00 -1.01 0.00 0.00 55.97 55.27 1i33 s LYS 201 Cb -0.10 -3.11 0.07 0.00 -1.01 0.00 0.00 37.83 33.68 1i33 s LYS 201 CO 0.35 0.68 1.53 1.79 0.51 0.00 0.00 175.35 180.21 1i33 h THR 202 N 3.22 1.28 -2.90 2.17 1.35 -1.92 0.00 112.91 116.11 1i33 h THR 202 Ca -0.51 -1.54 -0.45 0.00 -0.55 0.00 0.00 66.41 63.36 1i33 h THR 202 Cb 1.20 1.41 -0.14 0.00 -1.73 0.00 0.00 68.15 68.90 1i33 h THR 202 CO 0.65 0.51 -0.66 0.68 -0.25 0.00 0.00 175.52 176.44 1i33 s VAL 203 N -4.37 1.38 -0.85 6.82 -7.23 -1.26 -4.30 120.40 110.59 1i33 s VAL 203 Ca -0.10 -2.08 -0.19 0.00 -1.81 0.00 0.00 61.98 57.81 1i33 s VAL 203 Cb 0.12 -2.45 -0.21 0.00 0.56 0.00 0.00 36.38 34.40 1i33 s VAL 203 CO 0.86 -0.28 2.25 0.47 -0.31 0.00 0.00 175.10 178.09 1i33 n ASP 204 N -0.54 0.47 -0.08 4.85 8.00 -1.26 -4.16 116.55 123.82 1i33 n ASP 204 Ca -0.05 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.23 1i33 n ASP 204 Cb 0.64 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 1i33 n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i33 n GLY 205 N 6.22 1.85 3.89 0.44 0.00 0.34 -4.95 105.19 112.96 1i33 n GLY 205 Ca 0.52 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 1i33 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i33 s VAL 206 N 2.14 5.36 -0.40 1.61 1.01 -1.26 -4.71 120.40 124.15 1i33 s VAL 206 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1i33 s VAL 206 Cb 0.00 -3.54 0.20 0.00 0.00 0.00 0.00 36.38 33.04 1i33 s VAL 206 CO 0.00 0.40 0.95 -0.55 0.00 0.00 0.00 175.10 175.90 1i33 s SER 207 N -1.64 -0.73 0.53 3.32 0.15 -1.26 -4.81 113.70 109.25 1i33 s SER 207 Ca 0.25 -0.76 0.20 0.00 0.70 0.00 0.00 55.95 56.35 1i33 s SER 207 Cb -0.13 0.96 1.39 0.00 -1.71 0.00 0.00 66.02 66.53 1i33 s SER 207 CO 0.15 -0.04 2.15 -0.07 1.20 0.00 0.00 173.24 176.63 1i33 h LEU 208 N 4.85 0.00 0.00 3.45 3.38 -1.96 -3.22 115.31 121.81 1i33 h LEU 208 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1i33 h LEU 208 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1i33 h LEU 208 CO -0.05 0.04 -0.17 0.11 0.09 0.00 0.00 178.44 178.45 1i33 h LYS 209 N 0.00 0.00 -3.79 1.13 1.57 -2.04 -3.42 116.57 110.02 1i33 h LYS 209 Ca -0.00 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.06 1i33 h LYS 209 Cb 0.07 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 32.06 1i33 h LYS 209 CO 0.00 0.28 -0.26 0.34 -0.57 0.00 0.00 179.45 179.25 1i33 s ASP 210 N -5.81 5.69 0.17 0.86 2.15 -1.22 -4.97 116.67 113.54 1i33 s ASP 210 Ca -0.09 -2.64 -0.22 0.00 0.43 0.00 0.00 52.55 50.03 1i33 s ASP 210 Cb 0.00 -1.97 0.09 0.00 -0.30 0.00 0.00 42.92 40.74 1i33 s ASP 210 CO 0.23 -0.48 1.59 -0.50 -0.17 0.00 0.00 175.17 175.84 1i33 h TRP 211 N 7.47 -0.91 -0.37 -5.34 4.06 -1.82 -1.30 115.95 117.73 1i33 h TRP 211 Ca -0.02 0.06 0.02 0.00 2.06 0.00 0.00 58.89 61.02 1i33 h TRP 211 Cb 1.00 0.47 -0.03 0.00 -1.00 0.00 0.00 29.16 29.60 1i33 h TRP 211 CO 0.77 -0.38 0.20 0.00 -3.56 0.00 0.00 178.44 175.47 1i33 h ARG 212 N -0.21 0.39 0.00 0.49 3.08 -1.90 -2.62 114.38 113.61 1i33 h ARG 212 Ca 0.20 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1i33 h ARG 212 Cb 0.54 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1i33 h ARG 212 CO -0.60 0.26 0.18 0.41 -1.07 0.00 0.00 179.97 179.14 1i33 n GLY 213 N -1.21 -0.37 0.69 0.04 0.00 -0.50 -0.36 105.19 103.48 1i33 n GLY 213 Ca 0.01 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1i33 n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i33 n GLY 214 N -1.33 0.44 3.84 -0.02 0.00 -0.99 -4.13 105.19 103.00 1i33 n GLY 214 Ca -0.00 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 1i33 n GLY 214 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i33 s ARG 215 N -2.08 4.05 -0.63 1.61 1.81 0.51 -0.51 118.95 123.71 1i33 s ARG 215 Ca 0.30 0.95 -0.37 0.00 -1.72 0.00 0.00 55.73 54.90 1i33 s ARG 215 Cb 0.20 -2.20 -0.17 0.00 -0.45 0.00 0.00 34.95 32.33 1i33 s ARG 215 CO 0.36 -0.12 2.35 0.00 -0.68 0.00 0.00 175.30 177.21 1i33 n ALA 216 N -1.09 0.47 0.06 2.13 0.00 -1.26 -4.39 120.51 116.43 1i33 n ALA 216 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 1i33 n ALA 216 Cb 0.54 -2.33 0.23 0.00 0.00 0.00 0.00 19.45 17.89 1i33 n ALA 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i33 h ALA 217 N 11.51 1.14 -0.03 0.00 0.00 -1.17 -3.06 119.26 127.65 1i33 h ALA 217 Ca -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1i33 h ALA 217 Cb 1.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1i33 h ALA 217 CO 1.18 0.55 0.00 0.00 0.00 0.00 0.00 179.25 180.97 1i33 n ALA 218 N -2.48 2.61 -1.48 0.00 0.00 -1.26 -3.75 120.51 114.14 1i33 n ALA 218 Ca -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 53.44 53.18 1i33 n ALA 218 Cb 0.42 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.58 1i33 n ALA 218 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1i33 n VAL 219 N -0.53 0.20 -3.88 0.00 3.14 -1.17 -4.76 118.33 111.34 1i33 n VAL 219 Ca 0.18 -0.23 -0.09 0.00 -2.96 0.00 0.00 64.34 61.23 1i33 n VAL 219 Cb 0.16 0.61 -0.08 0.00 -1.06 0.00 0.00 33.84 33.47 1i33 n VAL 219 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1i33 s ASN 220 N -0.81 0.13 -0.31 6.55 0.01 -1.17 -5.07 114.94 114.28 1i33 s ASN 220 Ca 0.03 -0.56 -0.16 0.00 -0.71 0.00 0.00 52.86 51.45 1i33 s ASN 220 Cb 0.02 0.29 -0.02 0.00 0.41 0.00 0.00 41.25 41.95 1i33 s ASN 220 CO 0.00 -0.62 0.44 -0.63 -1.51 0.00 0.00 177.10 174.78 1i33 s ILE 221 N -3.19 5.11 -0.25 0.60 1.01 -1.26 -4.18 121.20 119.04 1i33 s ILE 221 Ca -0.00 0.46 -0.00 0.00 0.00 0.00 0.00 60.65 61.10 1i33 s ILE 221 Cb 0.02 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.70 1i33 s ILE 221 CO -0.07 -0.01 -0.08 -0.63 0.00 0.00 0.00 174.94 174.14 1i33 s ILE 222 N 2.20 2.62 0.57 2.92 1.01 0.99 -4.92 121.20 126.59 1i33 s ILE 222 Ca 0.17 -1.25 -0.18 0.00 0.00 0.00 0.00 60.65 59.39 1i33 s ILE 222 Cb -0.16 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 1i33 s ILE 222 CO 0.11 0.12 1.08 -2.84 0.00 0.00 0.00 174.94 173.41 1i33 s PRO 223 N 1.25 3.32 0.05 2.79 0.02 -1.26 0.14 135.00 141.31 1i33 s PRO 223 Ca -0.03 1.39 -0.27 0.00 0.02 0.00 0.00 61.00 62.11 1i33 s PRO 223 Cb -0.18 -2.02 0.09 0.00 0.02 0.00 0.00 34.50 32.41 1i33 s PRO 223 CO -0.05 -0.83 0.87 -1.54 -0.33 0.00 0.00 177.00 175.12 1i33 s SER 224 N -2.29 -0.35 0.68 2.53 1.04 -0.50 -4.77 113.70 110.05 1i33 s SER 224 Ca 0.68 -0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.98 1i33 s SER 224 Cb -0.19 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.43 1i33 s SER 224 CO 0.31 -0.72 0.96 0.42 0.98 0.00 0.00 173.24 175.20 1i33 s THR 225 N -3.22 2.34 -0.28 2.02 -4.23 -1.26 -0.70 115.64 110.31 1i33 s THR 225 Ca 0.06 -0.43 -0.15 0.00 -1.18 0.00 0.00 61.69 59.99 1i33 s THR 225 Cb -0.01 -2.92 0.08 0.00 1.34 0.00 0.00 72.50 71.00 1i33 s THR 225 CO -0.07 0.00 0.68 0.28 -0.54 0.00 0.00 174.62 174.96 1i33 s THR 226 N -3.13 -0.12 -1.24 3.99 -1.32 -1.26 -4.65 115.64 107.91 1i33 s THR 226 Ca 0.61 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.39 1i33 s THR 226 Cb -0.09 -0.99 0.35 0.00 -1.51 0.00 0.00 72.50 70.26 1i33 s THR 226 CO 0.43 0.00 1.91 0.61 -2.21 0.00 0.00 174.62 175.37 1i33 n GLY 227 N 4.45 -1.32 0.48 6.08 0.00 -1.26 -3.77 105.19 109.86 1i33 n GLY 227 Ca -0.19 -0.16 0.32 0.00 0.00 0.00 0.00 46.02 45.98 1i33 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i33 h ALA 228 N 3.24 2.76 0.25 4.61 0.00 -1.95 0.59 119.26 128.76 1i33 h ALA 228 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1i33 h ALA 228 Cb 0.41 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1i33 h ALA 228 CO 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 179.25 177.93 1i33 h ALA 229 N 1.50 -0.66 -0.89 0.00 0.00 -1.91 -2.79 119.26 114.50 1i33 h ALA 229 Ca 0.65 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.62 1i33 h ALA 229 Cb 2.14 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.99 1i33 h ALA 229 CO -0.20 -0.64 0.57 1.57 0.00 0.00 0.00 179.25 180.56 1i33 h LYS 230 N -0.51 0.71 -0.80 0.00 2.10 -1.59 -1.47 116.57 115.01 1i33 h LYS 230 Ca -0.03 -0.04 0.15 0.00 -2.00 0.00 0.00 60.65 58.72 1i33 h LYS 230 Cb 0.25 -0.16 -0.10 0.00 -0.90 0.00 0.00 32.23 31.33 1i33 h LYS 230 CO 0.06 0.47 0.36 0.00 -2.00 0.00 0.00 179.45 178.33 1i33 h ALA 231 N 1.59 1.17 -0.03 0.07 0.00 0.13 0.71 119.26 122.90 1i33 h ALA 231 Ca 0.44 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.46 1i33 h ALA 231 Cb 0.65 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1i33 h ALA 231 CO -0.20 -0.16 0.08 -0.24 0.00 0.00 0.00 179.25 178.73 1i33 h VAL 232 N 0.52 0.19 -0.04 0.00 3.04 -0.97 0.12 116.25 119.10 1i33 h VAL 232 Ca 0.44 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 66.08 1i33 h VAL 232 Cb 0.65 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 30.85 1i33 h VAL 232 CO -0.39 0.00 -0.19 1.23 -1.01 0.00 0.00 177.57 177.21 1i33 h GLY 233 N 0.00 0.07 0.92 3.17 0.00 0.38 0.44 103.07 108.04 1i33 h GLY 233 Ca 0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 47.33 47.12 1i33 h GLY 233 CO -0.00 0.04 -0.73 -0.33 0.00 0.00 0.00 176.54 175.51 1i33 h MET 234 N 0.06 0.51 -0.04 4.80 2.86 -0.81 -2.74 114.93 119.56 1i33 h MET 234 Ca 0.01 -0.54 -0.15 0.00 -2.06 0.00 0.00 59.70 56.96 1i33 h MET 234 Cb 0.37 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1i33 h MET 234 CO 0.03 1.17 -0.64 0.28 1.06 0.00 0.00 176.91 178.81 1i33 h VAL 235 N 0.06 1.42 -2.80 -2.22 2.07 -1.38 -3.37 116.25 110.02 1i33 h VAL 235 Ca -0.09 -2.10 -0.61 0.00 0.82 0.00 0.00 66.70 64.72 1i33 h VAL 235 Cb 1.43 2.10 -0.40 0.00 -1.52 0.00 0.00 31.29 32.90 1i33 h VAL 235 CO 0.14 0.62 -0.77 -0.63 0.02 0.00 0.00 177.57 176.95 1i33 s ILE 236 N -3.65 1.44 0.28 4.57 1.01 0.15 -4.84 121.20 120.16 1i33 s ILE 236 Ca -0.03 -3.03 -0.06 0.00 0.00 0.00 0.00 60.65 57.53 1i33 s ILE 236 Cb 0.12 -1.98 0.41 0.00 0.01 0.00 0.00 42.46 41.02 1i33 s ILE 236 CO 0.79 -1.04 1.57 -0.65 0.00 0.00 0.00 174.94 175.62 1i33 h PRO 237 N 6.03 0.01 0.00 2.79 0.11 -1.66 -1.23 132.00 138.05 1i33 h PRO 237 Ca 0.12 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1i33 h PRO 237 Cb 0.87 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1i33 h PRO 237 CO 0.50 0.01 0.29 0.66 -0.21 0.00 0.00 178.00 179.25 1i33 h SER 238 N 0.01 0.00 -0.14 -2.05 4.64 -1.94 0.11 113.55 114.18 1i33 h SER 238 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1i33 h SER 238 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1i33 h SER 238 CO -0.94 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 175.37 1i33 n THR 239 N -2.19 0.17 -1.53 2.95 -2.24 -0.46 -4.93 114.28 106.05 1i33 n THR 239 Ca -0.01 -0.58 -0.44 0.00 -2.27 0.00 0.00 64.05 60.74 1i33 n THR 239 Cb 0.32 1.30 -0.01 0.00 -2.10 0.00 0.00 70.33 69.84 1i33 n THR 239 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1i33 n LYS 240 N 1.30 0.94 -0.71 -0.78 4.76 0.39 -0.40 118.16 123.66 1i33 n LYS 240 Ca 0.15 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 1i33 n LYS 240 Cb 0.56 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 1i33 n LYS 240 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i33 n GLY 241 N 1.47 0.00 0.07 0.72 0.00 -1.26 -4.70 105.19 101.49 1i33 n GLY 241 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 1i33 n GLY 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i33 n LYS 242 N 0.57 0.97 -3.71 1.61 5.02 0.46 -5.01 118.16 118.07 1i33 n LYS 242 Ca 0.00 -0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.02 1i33 n LYS 242 Cb 0.34 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 1i33 n LYS 242 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1i33 s LEU 243 N -5.12 3.20 0.00 -0.35 1.02 -1.21 -1.26 118.68 114.96 1i33 s LEU 243 Ca -0.08 -0.91 0.00 0.00 0.02 0.00 0.00 54.13 53.16 1i33 s LEU 243 Cb 0.07 -1.76 0.00 0.00 0.02 0.00 0.00 46.19 44.52 1i33 s LEU 243 CO 0.75 -0.75 0.00 1.07 0.02 0.00 0.00 176.35 177.44 1i33 n THR 244 N -1.56 0.00 -3.79 5.49 5.66 -1.10 -4.59 114.28 114.39 1i33 n THR 244 Ca 0.02 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.97 1i33 n THR 244 Cb 0.63 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.43 1i33 n THR 244 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1i33 n GLY 245 N -0.60 0.84 3.57 1.09 0.00 -1.26 -2.05 105.19 106.77 1i33 n GLY 245 Ca 0.00 -1.17 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 1i33 n GLY 245 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1i33 s MET 246 N -2.06 2.00 0.10 1.61 0.23 -0.82 -4.04 119.30 116.32 1i33 s MET 246 Ca 0.18 -2.23 0.04 0.00 -1.03 0.00 0.00 55.69 52.64 1i33 s MET 246 Cb -0.03 -0.78 -0.04 0.00 -1.53 0.00 0.00 34.83 32.45 1i33 s MET 246 CO 0.07 -0.47 -0.10 0.45 -2.03 0.00 0.00 175.02 172.95 1i33 s SER 247 N -3.67 1.44 -0.29 -1.18 0.15 0.12 -1.96 113.70 108.31 1i33 s SER 247 Ca 0.20 -0.86 -0.02 0.00 0.70 0.00 0.00 55.95 55.97 1i33 s SER 247 Cb 0.02 0.02 0.10 0.00 -1.71 0.00 0.00 66.02 64.44 1i33 s SER 247 CO 0.12 -0.30 0.10 -0.36 1.20 0.00 0.00 173.24 174.01 1i33 s PHE 248 N -2.68 1.33 0.14 3.44 0.08 0.66 -1.41 117.98 119.53 1i33 s PHE 248 Ca 0.07 -1.46 -0.30 0.00 0.12 0.00 0.00 56.93 55.36 1i33 s PHE 248 Cb -0.01 -1.47 -0.07 0.00 -0.57 0.00 0.00 43.02 40.90 1i33 s PHE 248 CO -0.01 -0.84 1.26 1.03 -0.10 0.00 0.00 175.22 176.57 1i33 s ARG 249 N 1.75 4.41 0.19 0.44 1.81 0.12 -1.23 118.95 126.45 1i33 s ARG 249 Ca 0.09 1.93 0.05 0.00 -1.72 0.00 0.00 55.73 56.07 1i33 s ARG 249 Cb -0.17 -3.26 -0.05 0.00 -0.45 0.00 0.00 34.95 31.02 1i33 s ARG 249 CO -0.26 -0.25 -0.07 0.14 -0.68 0.00 0.00 175.30 174.18 1i33 s VAL 250 N 0.56 1.22 -0.18 3.52 -7.23 0.55 -0.00 120.40 118.84 1i33 s VAL 250 Ca 0.58 -2.07 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1i33 s VAL 250 Cb -0.33 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1i33 s VAL 250 CO 0.33 -0.55 1.33 -2.65 -0.31 0.00 0.00 175.10 173.25 1i33 n PRO 251 N -0.32 0.64 -4.33 4.82 -0.02 -1.25 -2.18 135.00 132.36 1i33 n PRO 251 Ca -0.08 -0.55 -0.18 0.00 -2.02 0.00 0.00 63.50 60.68 1i33 n PRO 251 Cb 0.62 -1.89 -0.15 0.00 -0.02 0.00 0.00 33.50 32.06 1i33 n PRO 251 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1i33 s THR 252 N 3.42 0.66 0.31 3.45 -4.23 -1.26 -4.99 115.64 112.99 1i33 s THR 252 Ca 0.16 -0.37 -0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1i33 s THR 252 Cb 0.06 -0.56 0.21 0.00 1.34 0.00 0.00 72.50 73.55 1i33 s THR 252 CO -0.01 0.17 1.91 1.55 -0.54 0.00 0.00 174.62 177.71 1i33 h PRO 253 N 5.90 0.88 -2.85 3.99 0.13 -1.88 -2.72 132.00 135.46 1i33 h PRO 253 Ca -0.30 -0.11 0.05 0.00 -0.87 0.00 0.00 66.00 64.76 1i33 h PRO 253 Cb 1.18 -0.17 -0.09 0.00 0.13 0.00 0.00 31.00 32.05 1i33 h PRO 253 CO 0.50 0.68 0.28 0.34 -0.23 0.00 0.00 178.00 179.57 1i33 s ASP 254 N -6.49 -0.40 0.00 1.44 2.15 -1.26 -4.78 116.67 107.33 1i33 s ASP 254 Ca -0.10 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.62 1i33 s ASP 254 Cb 0.17 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.40 1i33 s ASP 254 CO 0.79 -1.06 0.00 0.52 -0.17 0.00 0.00 175.17 175.25 1i33 n VAL 255 N -0.40 -1.54 -4.51 1.11 0.31 -1.26 -4.83 118.33 107.21 1i33 n VAL 255 Ca -0.10 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 63.98 1i33 n VAL 255 Cb 0.62 -1.78 -0.10 0.00 -0.91 0.00 0.00 33.84 31.66 1i33 n VAL 255 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1i33 s SER 256 N 0.00 3.52 0.00 4.52 0.01 -0.10 -4.28 113.70 117.38 1i33 s SER 256 Ca 0.00 -1.17 0.03 0.00 1.31 0.00 0.00 55.95 56.12 1i33 s SER 256 Cb 0.00 -0.31 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 1i33 s SER 256 CO 0.00 -0.20 -0.10 0.54 0.41 0.00 0.00 173.24 173.89 1i33 s VAL 257 N -2.68 0.79 -0.15 3.43 0.11 -0.37 -1.55 120.40 119.98 1i33 s VAL 257 Ca 0.31 -0.52 -0.03 0.00 -2.93 0.00 0.00 61.98 58.81 1i33 s VAL 257 Cb 0.02 -0.68 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 1i33 s VAL 257 CO 0.15 0.15 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.34 1i33 s VAL 258 N -0.37 3.79 -0.71 2.04 1.01 0.11 -1.04 120.40 125.23 1i33 s VAL 258 Ca 0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 1i33 s VAL 258 Cb -0.05 -2.65 0.18 0.00 0.00 0.00 0.00 36.38 33.87 1i33 s VAL 258 CO -0.00 0.50 0.55 -0.62 0.00 0.00 0.00 175.10 175.53 1i33 s ASP 259 N 0.30 5.42 -0.17 3.32 2.15 0.48 -1.28 116.67 126.89 1i33 s ASP 259 Ca -0.04 -3.20 -0.24 0.00 0.43 0.00 0.00 52.55 49.50 1i33 s ASP 259 Cb -0.14 -1.85 -0.02 0.00 -0.30 0.00 0.00 42.92 40.60 1i33 s ASP 259 CO 0.03 -0.29 0.75 -0.22 -0.17 0.00 0.00 175.17 175.28 1i33 s LEU 260 N -0.57 4.18 -0.22 -1.34 2.96 -0.48 -1.87 118.68 121.34 1i33 s LEU 260 Ca 0.21 1.07 -0.01 0.00 -0.22 0.00 0.00 54.13 55.17 1i33 s LEU 260 Cb -0.15 -3.11 0.02 0.00 0.50 0.00 0.00 46.19 43.45 1i33 s LEU 260 CO -0.07 -0.33 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.64 1i33 s THR 261 N 1.94 2.67 0.20 3.68 2.01 -0.07 0.00 115.64 126.08 1i33 s THR 261 Ca 0.35 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 1i33 s THR 261 Cb -0.16 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1i33 s THR 261 CO 0.12 0.34 0.23 0.72 -0.69 0.00 0.00 174.62 175.34 1i33 s PHE 262 N 1.33 0.86 -0.17 4.92 -0.71 -0.31 -0.38 117.98 123.52 1i33 s PHE 262 Ca 0.02 -1.14 -0.00 0.00 -1.04 0.00 0.00 56.93 54.77 1i33 s PHE 262 Cb -0.15 -0.31 -0.00 0.00 -1.21 0.00 0.00 43.02 41.35 1i33 s PHE 262 CO -0.07 -0.73 -0.14 0.50 -1.34 0.00 0.00 175.22 173.44 1i33 s ARG 263 N -4.10 3.22 0.72 1.99 3.52 -1.05 -0.61 118.95 122.65 1i33 s ARG 263 Ca 0.31 -0.73 -0.11 0.00 -0.13 0.00 0.00 55.73 55.07 1i33 s ARG 263 Cb 0.05 -2.69 0.03 0.00 -1.56 0.00 0.00 34.95 30.77 1i33 s ARG 263 CO 0.09 -0.05 1.08 0.00 -0.81 0.00 0.00 175.30 175.61 1i33 s ALA 264 N 0.99 2.48 0.01 6.12 0.00 -0.75 -1.29 121.76 129.32 1i33 s ALA 264 Ca -0.02 0.21 -0.20 0.00 0.00 0.00 0.00 51.96 51.95 1i33 s ALA 264 Cb -0.15 -3.23 -0.22 0.00 0.00 0.00 0.00 23.12 19.53 1i33 s ALA 264 CO -0.02 -1.45 1.13 1.15 0.00 0.00 0.00 175.76 176.57 1i33 h THR 265 N -0.81 1.43 -1.60 0.00 2.02 -1.56 -3.42 112.91 108.97 1i33 h THR 265 Ca -0.44 -1.95 -0.57 0.00 0.77 0.00 0.00 66.41 64.23 1i33 h THR 265 Cb 1.22 2.48 -0.09 0.00 -1.74 0.00 0.00 68.15 70.03 1i33 h THR 265 CO 0.54 0.56 -0.50 0.00 0.37 0.00 0.00 175.52 176.50 1i33 s ARG 266 N -3.38 2.21 0.22 6.66 1.70 -1.25 -5.04 118.95 120.08 1i33 s ARG 266 Ca -0.14 -1.85 -0.30 0.00 -0.47 0.00 0.00 55.73 52.97 1i33 s ARG 266 Cb 0.04 -1.97 -0.08 0.00 -0.57 0.00 0.00 34.95 32.36 1i33 s ARG 266 CO 0.80 -0.11 1.09 -0.51 -1.08 0.00 0.00 175.30 175.49 1i33 s ASP 267 N -3.90 7.29 0.00 -2.89 1.01 -1.26 -4.79 116.67 112.14 1i33 s ASP 267 Ca 0.41 2.15 0.00 0.00 0.71 0.00 0.00 52.55 55.82 1i33 s ASP 267 Cb 0.04 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1i33 s ASP 267 CO 0.22 -0.17 0.00 1.07 0.21 0.00 0.00 175.17 176.51 1i33 n THR 268 N 1.89 0.00 -4.10 -1.27 5.66 -0.28 -5.05 114.28 111.13 1i33 n THR 268 Ca 0.01 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.86 1i33 n THR 268 Cb 0.46 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.12 1i33 n THR 268 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1i33 s SER 269 N -0.42 1.11 0.53 1.09 1.04 -1.26 -4.01 113.70 111.77 1i33 s SER 269 Ca 0.00 -0.57 0.23 0.00 0.48 0.00 0.00 55.95 56.09 1i33 s SER 269 Cb 0.00 0.01 1.37 0.00 0.10 0.00 0.00 66.02 67.50 1i33 s SER 269 CO 0.00 -0.16 2.05 -0.29 0.98 0.00 0.00 173.24 175.82 1i33 h ILE 270 N 4.44 0.80 -0.46 -1.02 6.09 -1.94 0.08 117.51 125.50 1i33 h ILE 270 Ca -0.37 0.00 -0.11 0.00 -1.37 0.00 0.00 64.86 63.00 1i33 h ILE 270 Cb 1.20 0.83 -0.01 0.00 0.47 0.00 0.00 36.82 39.30 1i33 h ILE 270 CO 0.41 0.00 -0.15 1.56 -3.07 0.00 0.00 178.15 176.89 1i33 h GLN 271 N 0.00 0.92 0.12 2.19 7.50 -1.97 0.99 115.11 124.86 1i33 h GLN 271 Ca 0.16 -0.37 0.00 0.00 0.50 0.00 0.00 58.65 58.94 1i33 h GLN 271 Cb 0.66 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.14 1i33 h GLN 271 CO -0.00 1.03 -0.11 0.93 -1.50 0.00 0.00 178.83 179.18 1i33 h GLU 272 N 0.76 -0.24 -0.29 1.46 5.08 -1.42 -1.21 114.58 118.72 1i33 h GLU 272 Ca 0.11 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1i33 h GLU 272 Cb 0.71 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.95 1i33 h GLU 272 CO 0.05 -0.16 -0.14 0.82 -1.00 0.00 0.00 179.01 178.59 1i33 h ILE 273 N -0.25 0.57 0.13 3.13 2.04 -1.22 0.83 117.51 122.74 1i33 h ILE 273 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1i33 h ILE 273 Cb 0.23 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1i33 h ILE 273 CO -0.03 0.00 -0.42 -0.78 0.00 0.00 0.00 178.15 176.92 1i33 h ASP 274 N -0.10 -1.25 -0.60 1.72 3.58 -0.51 -1.40 116.42 117.86 1i33 h ASP 274 Ca 0.15 0.13 0.11 0.00 0.42 0.00 0.00 57.03 57.84 1i33 h ASP 274 Cb 0.33 0.46 -0.08 0.00 1.72 0.00 0.00 39.33 41.75 1i33 h ASP 274 CO -0.35 -0.46 0.17 0.11 -2.88 0.00 0.00 179.24 175.83 1i33 h LYS 275 N -0.62 0.31 -0.03 0.28 1.57 -0.91 -0.99 116.57 116.18 1i33 h LYS 275 Ca -0.01 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1i33 h LYS 275 Cb 0.62 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 1i33 h LYS 275 CO -0.21 0.21 -0.30 0.00 -0.57 0.00 0.00 179.45 178.58 1i33 h ALA 276 N 1.45 -0.40 -0.79 3.86 0.00 -0.40 0.40 119.26 123.38 1i33 h ALA 276 Ca 0.31 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.30 1i33 h ALA 276 Cb 0.44 0.53 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1i33 h ALA 276 CO -0.36 -0.80 0.46 0.82 0.00 0.00 0.00 179.25 179.37 1i33 h ILE 277 N -0.43 0.94 -0.52 0.00 2.04 -0.61 0.19 117.51 119.13 1i33 h ILE 277 Ca 0.07 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 1i33 h ILE 277 Cb 0.53 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1i33 h ILE 277 CO -0.27 0.15 0.13 0.11 0.00 0.00 0.00 178.15 178.27 1i33 h LYS 278 N 0.79 0.82 0.44 2.37 1.57 -0.27 -0.47 116.57 121.83 1i33 h LYS 278 Ca 0.37 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1i33 h LYS 278 Cb 0.29 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1i33 h LYS 278 CO -0.22 0.78 -0.23 -0.22 -0.57 0.00 0.00 179.45 179.00 1i33 h LYS 279 N 0.72 -0.59 -0.65 3.15 3.11 0.87 -2.18 116.57 120.99 1i33 h LYS 279 Ca 0.16 0.04 0.10 0.00 -2.81 0.00 0.00 60.65 58.15 1i33 h LYS 279 Cb 0.32 0.13 -0.08 0.00 -1.00 0.00 0.00 32.23 31.61 1i33 h LYS 279 CO 0.00 -0.39 0.26 0.00 -2.81 0.00 0.00 179.45 176.51 1i33 h ALA 280 N -0.06 0.87 -0.78 5.00 0.00 -0.58 0.51 119.26 124.23 1i33 h ALA 280 Ca -0.06 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1i33 h ALA 280 Cb 0.48 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1i33 h ALA 280 CO 0.08 -0.17 0.51 0.00 0.00 0.00 0.00 179.25 179.67 1i33 h ALA 281 N 1.45 1.89 -0.03 0.00 0.00 -0.77 0.15 119.26 121.95 1i33 h ALA 281 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1i33 h ALA 281 Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1i33 h ALA 281 CO -0.32 -0.07 0.00 1.04 0.00 0.00 0.00 179.25 179.89 1i33 n GLN 282 N -4.50 1.40 0.00 0.00 6.02 0.12 -2.45 117.38 117.97 1i33 n GLN 282 Ca 0.14 -0.59 0.00 0.00 -0.01 0.00 0.00 57.00 56.54 1i33 n GLN 282 Cb 0.41 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.21 1i33 n GLN 282 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1i33 n THR 283 N -0.27 0.00 1.34 5.09 -2.24 0.44 -4.82 114.28 113.82 1i33 n THR 283 Ca 0.20 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.99 1i33 n THR 283 Cb 0.25 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.57 1i33 n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i33 n TYR 284 N 0.00 0.00 -0.51 4.78 4.11 -1.18 -2.45 117.16 121.91 1i33 n TYR 284 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1i33 n TYR 284 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1i33 n TYR 284 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 1i33 n MET 285 N -0.57 -0.20 -1.67 -3.48 2.81 -0.74 -5.02 117.12 108.24 1i33 n MET 285 Ca 0.02 -0.35 -0.44 0.00 -1.81 0.00 0.00 57.70 55.11 1i33 n MET 285 Cb 0.01 -0.74 -0.02 0.00 -0.71 0.00 0.00 33.22 31.75 1i33 n MET 285 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1i33 n LYS 286 N -0.04 2.02 0.00 0.03 4.81 -1.02 -0.34 118.16 123.62 1i33 n LYS 286 Ca 0.00 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 1i33 n LYS 286 Cb 0.16 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 32.86 1i33 n LYS 286 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i33 n GLY 287 N 1.94 2.82 0.19 3.14 0.00 -1.26 -4.72 105.19 107.29 1i33 n GLY 287 Ca 0.11 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1i33 n GLY 287 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i33 n ILE 288 N 0.00 1.39 -5.23 -0.61 2.08 -0.09 -4.42 119.36 112.49 1i33 n ILE 288 Ca 0.00 -0.40 -0.32 0.00 0.56 0.00 0.00 62.75 62.59 1i33 n ILE 288 Cb 0.00 -1.72 -0.17 0.00 -0.75 0.00 0.00 39.64 37.00 1i33 n ILE 288 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1i33 s LEU 289 N -7.14 2.10 0.39 1.39 0.20 0.54 -0.16 118.68 116.00 1i33 s LEU 289 Ca -0.35 -0.54 0.04 0.00 0.69 0.00 0.00 54.13 53.98 1i33 s LEU 289 Cb 0.12 -1.40 -0.03 0.00 -0.43 0.00 0.00 46.19 44.46 1i33 s LEU 289 CO 0.47 0.19 0.15 -0.83 -0.29 0.00 0.00 176.35 176.05 1i33 s GLY 290 N 0.17 2.54 0.30 7.98 0.00 0.41 -4.40 107.32 114.32 1i33 s GLY 290 Ca -0.14 -1.39 -0.01 0.00 0.00 0.00 0.00 44.72 43.18 1i33 s GLY 290 CO 0.07 -1.76 0.37 -0.11 0.00 0.00 0.00 173.10 171.66 1i33 s PHE 291 N -3.27 1.17 -0.21 1.90 -0.71 -1.26 0.98 117.98 116.57 1i33 s PHE 291 Ca 0.27 -1.33 -0.12 0.00 -1.04 0.00 0.00 56.93 54.70 1i33 s PHE 291 Cb 0.03 -0.29 0.07 0.00 -1.21 0.00 0.00 43.02 41.61 1i33 s PHE 291 CO 0.17 -0.97 0.52 -0.08 -1.34 0.00 0.00 175.22 173.52 1i33 s THR 292 N -3.46 -0.01 -2.24 -4.49 -1.32 -0.15 -4.86 115.64 99.10 1i33 s THR 292 Ca 0.34 0.05 0.26 0.00 -1.21 0.00 0.00 61.69 61.13 1i33 s THR 292 Cb 0.02 -0.77 0.30 0.00 -1.51 0.00 0.00 72.50 70.54 1i33 s THR 292 CO 0.19 0.02 1.50 0.47 -2.21 0.00 0.00 174.62 174.59 1i33 n ASP 293 N 4.22 1.66 -4.78 8.08 8.00 -1.26 -2.02 116.55 130.45 1i33 n ASP 293 Ca -0.22 -1.37 -0.25 0.00 0.71 0.00 0.00 54.79 53.66 1i33 n ASP 293 Cb 0.57 0.13 0.09 0.00 -0.02 0.00 0.00 41.12 41.88 1i33 n ASP 293 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1i33 s GLU 294 N -2.26 1.93 -1.15 -1.24 2.02 -1.26 -4.71 118.70 112.03 1i33 s GLU 294 Ca 0.28 -0.50 -0.06 0.00 0.02 0.00 0.00 54.97 54.71 1i33 s GLU 294 Cb 0.20 -2.19 0.26 0.00 0.10 0.00 0.00 34.13 32.49 1i33 s GLU 294 CO 0.43 -1.37 1.59 0.39 0.02 0.00 0.00 175.26 176.32 1i33 n GLU 295 N -2.95 4.11 -2.47 1.61 -0.58 -1.26 -4.77 120.64 114.33 1i33 n GLU 295 Ca 0.10 -4.19 -0.23 0.00 -0.42 0.00 0.00 57.16 52.42 1i33 n GLU 295 Cb 0.60 -2.67 0.05 0.00 -0.57 0.00 0.00 31.44 28.86 1i33 n GLU 295 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1i33 s LEU 296 N -1.69 3.09 0.18 -4.62 1.43 -1.26 -5.12 118.68 110.69 1i33 s LEU 296 Ca 0.34 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1i33 s LEU 296 Cb 0.05 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 1i33 s LEU 296 CO 0.06 -1.34 0.06 0.68 0.23 0.00 0.00 176.35 176.03 1i33 s VAL 297 N -2.96 0.38 0.11 -1.59 -7.23 -1.26 -5.03 120.40 102.82 1i33 s VAL 297 Ca 0.59 -1.96 -0.21 0.00 -1.81 0.00 0.00 61.98 58.59 1i33 s VAL 297 Cb -0.10 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 1i33 s VAL 297 CO 0.41 -0.31 1.22 -1.54 -0.31 0.00 0.00 175.10 174.56 1i33 n SER 298 N -0.24 -0.70 -0.38 4.85 3.41 -1.26 0.28 113.62 119.58 1i33 n SER 298 Ca -0.04 1.38 0.33 0.00 -0.26 0.00 0.00 58.87 60.28 1i33 n SER 298 Cb 0.64 -0.25 0.60 0.00 -0.26 0.00 0.00 64.21 64.94 1i33 n SER 298 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i33 h ALA 299 N 0.13 2.38 0.00 7.33 0.00 -1.96 0.12 119.26 127.27 1i33 h ALA 299 Ca 0.11 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1i33 h ALA 299 Cb 0.27 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1i33 h ALA 299 CO -0.62 -1.07 0.00 -0.44 0.00 0.00 0.00 179.25 177.11 1i33 h ASP 300 N 0.09 0.00 -0.02 0.00 3.32 -0.57 -2.45 116.42 116.79 1i33 h ASP 300 Ca 0.82 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.87 1i33 h ASP 300 Cb 2.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.85 1i33 h ASP 300 CO -0.60 0.00 -0.31 0.49 -1.72 0.00 0.00 179.24 177.10 1i33 n PHE 301 N -2.48 0.00 -1.68 4.55 3.72 0.42 -4.92 117.46 117.07 1i33 n PHE 301 Ca -0.00 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.95 1i33 n PHE 301 Cb 0.13 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 1i33 n PHE 301 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1i33 n ILE 302 N 0.45 0.66 -0.99 4.37 5.41 -0.93 -0.74 119.36 127.59 1i33 n ILE 302 Ca 0.11 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1i33 n ILE 302 Cb 0.51 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 37.87 1i33 n ILE 302 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1i33 n ASN 303 N 2.58 -3.67 -4.64 4.38 3.02 -1.26 -4.99 115.26 110.67 1i33 n ASN 303 Ca 0.13 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.25 1i33 n ASN 303 Cb 0.31 -1.35 -0.02 0.00 -0.61 0.00 0.00 39.78 38.11 1i33 n ASN 303 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i33 s ASP 304 N -2.04 6.84 -0.00 6.41 -1.08 0.08 -4.91 116.67 121.97 1i33 s ASP 304 Ca 0.00 1.32 0.11 0.00 -0.52 0.00 0.00 52.55 53.46 1i33 s ASP 304 Cb 0.00 -2.54 0.31 0.00 -1.46 0.00 0.00 42.92 39.23 1i33 s ASP 304 CO 0.00 -0.92 1.25 -0.46 0.52 0.00 0.00 175.17 175.57 1i33 n ASN 305 N 7.08 1.85 -4.79 -0.34 2.04 -1.26 -4.03 115.26 115.81 1i33 n ASN 305 Ca 0.14 -2.00 -0.35 0.00 -0.44 0.00 0.00 54.58 51.92 1i33 n ASN 305 Cb 0.46 -0.23 -0.04 0.00 -2.53 0.00 0.00 39.78 37.44 1i33 n ASN 305 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1i33 s ARG 306 N -1.54 3.97 0.24 -3.83 3.00 -1.26 -4.70 118.95 114.82 1i33 s ARG 306 Ca 0.23 1.45 0.02 0.00 0.00 0.00 0.00 55.73 57.44 1i33 s ARG 306 Cb 0.12 -2.32 0.26 0.00 0.00 0.00 0.00 34.95 33.01 1i33 s ARG 306 CO 0.16 -0.30 1.58 0.77 0.00 0.00 0.00 175.30 177.51 1i33 h SER 307 N 2.02 0.38 -2.41 0.23 0.02 -0.76 -3.42 113.55 109.61 1i33 h SER 307 Ca -0.49 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 60.17 1i33 h SER 307 Cb 1.22 -0.11 -0.27 0.00 0.14 0.00 0.00 62.40 63.38 1i33 h SER 307 CO 0.61 0.84 -0.37 -0.55 -1.14 0.00 0.00 176.83 176.21 1i33 s SER 308 N -6.89 -0.24 -0.40 3.07 0.15 -0.85 -3.89 113.70 104.65 1i33 s SER 308 Ca -0.05 0.92 -0.03 0.00 0.70 0.00 0.00 55.95 57.48 1i33 s SER 308 Cb 0.12 1.36 0.10 0.00 -1.71 0.00 0.00 66.02 65.89 1i33 s SER 308 CO 0.81 -0.24 0.19 0.54 1.20 0.00 0.00 173.24 175.73 1i33 s VAL 309 N 2.62 3.34 0.29 4.45 0.11 -0.00 -0.44 120.40 130.75 1i33 s VAL 309 Ca 0.00 -1.93 -0.30 0.00 -2.93 0.00 0.00 61.98 56.82 1i33 s VAL 309 Cb -0.12 -3.23 -0.11 0.00 -1.53 0.00 0.00 36.38 31.38 1i33 s VAL 309 CO -0.13 -0.62 1.58 -0.47 -3.33 0.00 0.00 175.10 172.13 1i33 s TYR 310 N 1.18 2.79 -0.60 1.54 5.04 0.27 -1.39 117.35 126.18 1i33 s TYR 310 Ca 0.06 0.80 -0.16 0.00 -2.44 0.00 0.00 57.07 55.34 1i33 s TYR 310 Cb -0.23 -4.04 0.15 0.00 0.35 0.00 0.00 41.96 38.19 1i33 s TYR 310 CO -0.03 -3.50 0.55 0.34 -1.34 0.00 0.00 175.55 171.58 1i33 s ASP 311 N 0.49 6.30 0.08 4.32 -1.08 -0.39 -0.98 116.67 125.42 1i33 s ASP 311 Ca 0.63 -1.98 -0.34 0.00 -0.52 0.00 0.00 52.55 50.34 1i33 s ASP 311 Cb -0.47 -2.21 -0.17 0.00 -1.46 0.00 0.00 42.92 38.61 1i33 s ASP 311 CO 0.47 -0.80 1.60 -1.28 0.52 0.00 0.00 175.17 175.68 1i33 h SER 312 N 8.65 -1.01 -0.02 -0.34 0.87 -1.71 -2.11 113.55 117.89 1i33 h SER 312 Ca -0.21 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1i33 h SER 312 Cb 1.09 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 1i33 h SER 312 CO 0.98 -0.61 -0.04 0.11 -0.53 0.00 0.00 176.83 176.74 1i33 h LYS 313 N -0.97 -0.06 -0.67 2.24 1.79 -1.85 0.17 116.57 117.22 1i33 h LYS 313 Ca -0.08 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.52 1i33 h LYS 313 Cb 0.79 0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 31.36 1i33 h LYS 313 CO 0.07 -0.04 0.21 0.00 -1.08 0.00 0.00 179.45 178.60 1i33 h ALA 314 N 0.95 0.86 0.45 3.86 0.00 -1.90 -0.07 119.26 123.42 1i33 h ALA 314 Ca 0.02 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1i33 h ALA 314 Cb 0.10 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1i33 h ALA 314 CO -0.06 -0.26 -0.21 1.15 0.00 0.00 0.00 179.25 179.87 1i33 h THR 315 N 0.35 0.43 -0.78 0.00 2.02 -0.96 -2.84 112.91 111.13 1i33 h THR 315 Ca 0.36 -0.49 0.09 0.00 0.77 0.00 0.00 66.41 67.13 1i33 h THR 315 Cb 0.53 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 1i33 h THR 315 CO -0.40 0.07 0.51 -0.07 0.37 0.00 0.00 175.52 176.00 1i33 h LEU 316 N -0.94 0.66 0.00 2.58 3.38 -0.47 -2.58 115.31 117.94 1i33 h LEU 316 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1i33 h LEU 316 Cb 0.57 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1i33 h LEU 316 CO 0.10 0.40 -0.20 0.00 0.09 0.00 0.00 178.44 178.82 1i33 n GLN 317 N -4.50 0.03 -1.11 1.13 6.02 -0.06 -4.22 117.38 114.67 1i33 n GLN 317 Ca 0.13 0.02 -0.01 0.00 -0.01 0.00 0.00 57.00 57.12 1i33 n GLN 317 Cb 0.31 -1.52 0.14 0.00 1.02 0.00 0.00 30.24 30.18 1i33 n GLN 317 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1i33 n ASN 318 N -1.57 2.36 -4.59 1.08 3.02 -0.97 -5.04 115.26 109.55 1i33 n ASN 318 Ca 0.06 -3.59 -0.25 0.00 -0.03 0.00 0.00 54.58 50.78 1i33 n ASN 318 Cb 0.35 -0.46 -0.09 0.00 -0.61 0.00 0.00 39.78 38.97 1i33 n ASN 318 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1i33 s ASN 319 N -3.21 4.05 0.06 6.41 0.01 -1.24 -4.94 114.94 116.09 1i33 s ASN 319 Ca 0.40 -1.00 -0.31 0.00 -0.71 0.00 0.00 52.86 51.24 1i33 s ASN 319 Cb 0.38 -0.50 -0.07 0.00 0.41 0.00 0.00 41.25 41.47 1i33 s ASN 319 CO -0.05 -0.17 1.49 -0.76 -1.51 0.00 0.00 177.10 176.09 1i33 s LEU 320 N -3.66 4.35 0.27 0.60 1.43 -1.26 -4.92 118.68 115.48 1i33 s LEU 320 Ca 0.33 2.32 -0.05 0.00 -1.03 0.00 0.00 54.13 55.70 1i33 s LEU 320 Cb -0.01 -3.57 0.53 0.00 0.03 0.00 0.00 46.19 43.17 1i33 s LEU 320 CO 0.18 -0.76 1.59 1.55 0.23 0.00 0.00 176.35 179.14 1i33 h PRO 321 N 7.66 0.03 -0.18 1.29 0.13 -1.98 -2.48 132.00 136.47 1i33 h PRO 321 Ca -0.41 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 1i33 h PRO 321 Cb 1.19 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1i33 h PRO 321 CO 0.90 0.02 -0.08 0.41 -0.23 0.00 0.00 178.00 179.03 1i33 n GLY 322 N -1.51 4.62 3.77 1.56 0.00 -1.26 -5.02 105.19 107.35 1i33 n GLY 322 Ca 0.17 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 1i33 n GLY 322 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i33 s GLU 323 N -3.00 3.75 0.00 1.61 2.56 -0.94 -4.96 118.70 117.72 1i33 s GLU 323 Ca 0.40 1.75 0.00 0.00 0.00 0.00 0.00 54.97 57.11 1i33 s GLU 323 Cb 0.35 -2.38 0.00 0.00 2.00 0.00 0.00 34.13 34.09 1i33 s GLU 323 CO 0.03 -0.55 0.15 1.63 -0.56 0.00 0.00 175.26 175.96 1i33 n LYS 324 N -0.53 3.35 0.07 4.30 5.02 -1.26 -4.54 118.16 124.58 1i33 n LYS 324 Ca 0.07 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1i33 n LYS 324 Cb 0.48 -0.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 1i33 n LYS 324 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1i33 n ARG 325 N -0.52 0.00 -2.17 1.97 5.12 -1.26 -1.13 116.66 118.67 1i33 n ARG 325 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 1i33 n ARG 325 Cb 0.02 -0.14 -0.02 0.00 -1.16 0.00 0.00 32.46 31.15 1i33 n ARG 325 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1i33 s PHE 326 N -2.00 2.15 0.24 -1.55 2.19 -1.26 -1.81 117.98 115.93 1i33 s PHE 326 Ca 0.00 0.63 0.02 0.00 0.33 0.00 0.00 56.93 57.91 1i33 s PHE 326 Cb 0.00 -4.09 -0.05 0.00 -1.31 0.00 0.00 43.02 37.56 1i33 s PHE 326 CO 0.00 -2.60 0.04 -0.06 1.83 0.00 0.00 175.22 174.43 1i33 s PHE 327 N 5.64 1.51 -0.05 10.12 0.08 0.22 -4.82 117.98 130.68 1i33 s PHE 327 Ca 0.70 -1.04 -0.01 0.00 0.12 0.00 0.00 56.93 56.70 1i33 s PHE 327 Cb -0.21 -0.89 0.03 0.00 -0.57 0.00 0.00 43.02 41.38 1i33 s PHE 327 CO 0.31 -0.18 0.03 0.21 -0.10 0.00 0.00 175.22 175.49 1i33 s LYS 328 N -3.94 0.26 -0.10 0.44 2.20 -1.26 -1.17 119.74 116.18 1i33 s LYS 328 Ca 0.31 0.21 0.04 0.00 -0.36 0.00 0.00 55.97 56.17 1i33 s LYS 328 Cb 0.07 -0.68 -0.00 0.00 -1.51 0.00 0.00 37.83 35.71 1i33 s LYS 328 CO 0.10 -0.28 -0.22 0.08 -0.36 0.00 0.00 175.35 174.67 1i33 s VAL 329 N 1.85 2.25 -0.15 4.02 1.01 0.10 -4.85 120.40 124.64 1i33 s VAL 329 Ca 0.02 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1i33 s VAL 329 Cb -0.12 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1i33 s VAL 329 CO -0.04 0.56 0.00 -0.69 0.00 0.00 0.00 175.10 174.93 1i33 s VAL 330 N 0.27 4.27 -0.06 2.92 1.01 -1.26 -1.39 120.40 126.16 1i33 s VAL 330 Ca -0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1i33 s VAL 330 Cb -0.17 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.37 1i33 s VAL 330 CO 0.08 0.51 0.14 -0.55 0.00 0.00 0.00 175.10 175.28 1i33 s SER 331 N 0.04 -0.13 0.32 3.32 0.15 -0.41 -1.26 113.70 115.74 1i33 s SER 331 Ca 0.02 0.29 0.05 0.00 0.70 0.00 0.00 55.95 57.01 1i33 s SER 331 Cb -0.13 0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.41 1i33 s SER 331 CO 0.02 -0.08 0.46 0.26 1.20 0.00 0.00 173.24 175.10 1i33 s TRP 332 N 0.48 3.28 -0.28 3.44 0.52 -0.48 0.08 118.94 125.98 1i33 s TRP 332 Ca -0.03 -0.04 -0.21 0.00 0.02 0.00 0.00 56.10 55.83 1i33 s TRP 332 Cb -0.05 -1.87 0.11 0.00 -1.15 0.00 0.00 33.47 30.50 1i33 s TRP 332 CO -0.02 0.12 0.87 1.52 0.02 0.00 0.00 176.95 179.46 1i33 s TYR 333 N -2.16 -0.70 -1.05 -1.98 1.13 -0.60 -0.82 117.35 111.16 1i33 s TYR 333 Ca 0.41 1.54 -0.21 0.00 -1.41 0.00 0.00 57.07 57.40 1i33 s TYR 333 Cb -0.09 0.40 0.07 0.00 -1.10 0.00 0.00 41.96 41.23 1i33 s TYR 333 CO 0.32 -0.34 1.44 0.34 -2.51 0.00 0.00 175.55 174.80 1i33 s ASP 334 N 0.84 6.58 0.42 -0.18 -1.08 -1.26 -0.92 116.67 121.07 1i33 s ASP 334 Ca -0.03 -1.71 0.28 0.00 -0.52 0.00 0.00 52.55 50.56 1i33 s ASP 334 Cb -0.05 -2.54 1.42 0.00 -1.46 0.00 0.00 42.92 40.29 1i33 s ASP 334 CO -0.10 -1.38 1.59 -0.55 0.52 0.00 0.00 175.17 175.26 1i33 h ASN 335 N 9.29 0.26 0.00 -0.34 -1.07 -1.91 -1.52 115.58 120.28 1i33 h ASN 335 Ca 0.23 0.18 0.00 0.00 0.07 0.00 0.00 56.30 56.78 1i33 h ASN 335 Cb 0.99 0.18 0.00 0.00 -2.07 0.00 0.00 38.32 37.42 1i33 h ASN 335 CO 1.38 -0.29 -0.01 -0.33 0.07 0.00 0.00 177.43 178.26 1i33 h GLU 336 N 0.04 0.00 -0.41 4.14 5.08 -1.97 -3.35 114.58 118.11 1i33 h GLU 336 Ca 0.85 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 59.29 1i33 h GLU 336 Cb 2.55 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 31.71 1i33 h GLU 336 CO -0.55 0.00 -0.37 2.35 -1.00 0.00 0.00 179.01 179.44 1i33 h TRP 337 N -0.02 -1.04 0.71 4.33 2.91 -1.87 -2.12 115.95 118.86 1i33 h TRP 337 Ca 0.00 0.06 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 1i33 h TRP 337 Cb 0.01 0.51 -0.00 0.00 -0.51 0.00 0.00 29.16 29.17 1i33 h TRP 337 CO -0.00 -0.41 -0.44 0.00 -1.03 0.00 0.00 178.44 176.56 1i33 h ALA 338 N 0.64 -1.24 -0.81 2.65 0.00 -1.42 -2.67 119.26 116.41 1i33 h ALA 338 Ca 0.16 -0.23 0.20 0.00 0.00 0.00 0.00 54.91 55.04 1i33 h ALA 338 Cb 0.56 0.56 -0.13 0.00 0.00 0.00 0.00 17.79 18.77 1i33 h ALA 338 CO -0.56 -1.20 0.13 -0.92 0.00 0.00 0.00 179.25 176.70 1i33 h TYR 339 N -1.08 0.17 -0.47 0.00 3.20 -1.67 0.11 116.97 117.22 1i33 h TYR 339 Ca -0.10 0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.90 1i33 h TYR 339 Cb 0.87 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.13 1i33 h TYR 339 CO -0.08 -0.21 0.09 0.77 -1.64 0.00 0.00 178.16 177.09 1i33 h SER 340 N 0.17 0.00 -0.77 -2.11 0.02 -1.20 -1.32 113.55 108.35 1i33 h SER 340 Ca 0.48 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.47 1i33 h SER 340 Cb 0.90 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.52 1i33 h SER 340 CO -0.65 0.03 0.32 0.45 -1.14 0.00 0.00 176.83 175.85 1i33 h HIS 341 N 0.23 1.16 -0.42 3.45 3.86 -0.48 -2.63 115.15 120.32 1i33 h HIS 341 Ca 0.23 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1i33 h HIS 341 Cb 0.30 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 1i33 h HIS 341 CO -0.22 0.87 0.23 0.00 0.86 0.00 0.00 177.93 179.67 1i33 h ARG 342 N 1.12 0.44 -0.52 2.45 2.47 -0.54 0.20 114.38 120.00 1i33 h ARG 342 Ca 0.26 -0.03 0.09 0.00 -1.26 0.00 0.00 59.98 59.05 1i33 h ARG 342 Cb 0.19 -0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 28.34 1i33 h ARG 342 CO -0.02 0.29 0.10 0.28 0.56 0.00 0.00 179.97 181.18 1i33 h VAL 343 N 0.46 0.70 -0.78 2.04 2.07 -0.92 0.34 116.25 120.16 1i33 h VAL 343 Ca 0.18 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1i33 h VAL 343 Cb 0.06 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1i33 h VAL 343 CO -0.11 0.04 0.37 0.58 0.02 0.00 0.00 177.57 178.48 1i33 h VAL 344 N 0.24 1.25 -0.04 2.57 2.07 -1.15 -0.77 116.25 120.42 1i33 h VAL 344 Ca 0.27 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1i33 h VAL 344 Cb 0.37 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1i33 h VAL 344 CO -0.35 0.30 0.03 0.44 0.02 0.00 0.00 177.57 178.01 1i33 h ASP 345 N 1.11 0.05 -0.18 0.57 3.32 0.95 -0.13 116.42 122.10 1i33 h ASP 345 Ca 0.27 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.35 1i33 h ASP 345 Cb 0.13 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 1i33 h ASP 345 CO -0.03 0.06 -0.22 0.25 -1.72 0.00 0.00 179.24 177.58 1i33 h LEU 346 N 0.04 -0.69 -0.70 1.55 5.85 -0.02 0.28 115.31 121.62 1i33 h LEU 346 Ca 0.02 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1i33 h LEU 346 Cb 0.02 0.32 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1i33 h LEU 346 CO -0.00 -0.26 0.37 0.58 -0.34 0.00 0.00 178.44 178.79 1i33 h VAL 347 N -0.25 0.92 -0.50 1.05 2.07 -0.88 0.33 116.25 119.00 1i33 h VAL 347 Ca 0.12 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1i33 h VAL 347 Cb 0.43 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1i33 h VAL 347 CO -0.33 0.12 0.12 0.03 0.02 0.00 0.00 177.57 177.53 1i33 h ARG 348 N 0.67 0.75 0.48 1.57 3.08 0.24 -1.20 114.38 119.96 1i33 h ARG 348 Ca 0.33 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1i33 h ARG 348 Cb 0.26 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1i33 h ARG 348 CO -0.22 0.68 -0.23 -0.92 -1.07 0.00 0.00 179.97 178.21 1i33 h TYR 349 N 0.73 -0.59 -0.55 3.04 3.20 0.84 -1.52 116.97 122.12 1i33 h TYR 349 Ca 0.16 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.12 1i33 h TYR 349 Cb 0.27 0.20 -0.08 0.00 1.54 0.00 0.00 36.73 38.66 1i33 h TYR 349 CO 0.01 -0.27 0.11 0.52 -1.64 0.00 0.00 178.16 176.89 1i33 h MET 350 N -0.96 0.24 -0.33 1.82 2.86 -0.92 0.11 114.93 117.74 1i33 h MET 350 Ca -0.07 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1i33 h MET 350 Cb 0.59 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.14 1i33 h MET 350 CO 0.11 0.16 0.00 0.00 1.06 0.00 0.00 176.91 178.24 1i33 h ALA 351 N 1.43 0.30 0.08 6.32 0.00 -1.20 0.99 119.26 127.19 1i33 h ALA 351 Ca 0.28 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.29 1i33 h ALA 351 Cb 0.40 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1i33 h ALA 351 CO -0.37 -0.40 -0.11 0.00 0.00 0.00 0.00 179.25 178.38 1i33 h ALA 352 N 1.29 -0.19 -0.42 0.00 0.00 -0.25 -0.84 119.26 118.85 1i33 h ALA 352 Ca 0.16 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1i33 h ALA 352 Cb 0.22 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1i33 h ALA 352 CO -0.27 -0.63 -0.12 -0.22 0.00 0.00 0.00 179.25 178.02 1i33 h LYS 353 N -0.23 0.83 -0.46 0.00 3.64 -0.61 -1.41 116.57 118.32 1i33 h LYS 353 Ca 0.01 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1i33 h LYS 353 Cb 0.23 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1i33 h LYS 353 CO -0.05 0.95 0.25 -0.44 -2.27 0.00 0.00 179.45 177.89 1i33 h ASP 354 N 0.65 0.55 -0.07 4.20 3.32 0.12 -1.76 116.42 123.44 1i33 h ASP 354 Ca 0.11 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1i33 h ASP 354 Cb 0.65 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1i33 h ASP 354 CO 0.04 0.45 -0.16 0.00 -1.72 0.00 0.00 179.24 177.85 1i33 h ALA 355 N 1.64 0.11 -0.22 3.45 0.00 -0.96 -3.21 119.26 120.07 1i33 h ALA 355 Ca 0.16 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1i33 h ALA 355 Cb 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1i33 h ALA 355 CO -0.03 0.03 0.01 0.00 0.00 0.00 0.00 179.25 179.26 1i33 h ALA 356 N 0.47 0.20 0.00 0.00 0.00 -0.94 -0.17 119.26 118.82 1i33 h ALA 356 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1i33 h ALA 356 Cb 0.77 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1i33 h ALA 356 CO 0.04 -0.42 0.00 -1.13 0.00 0.00 0.00 179.25 177.74 1i33 n SER 357 N -5.13 0.00 0.00 0.00 3.41 -0.69 -5.11 113.62 106.10 1i33 n SER 357 Ca -0.02 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 1i33 n SER 357 Cb 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1i33 n SER 357 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68