#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k46 s ALA 2 N 0.00 3.40 -1.49 4.61 0.00 -1.26 -4.90 121.76 122.13 2k46 s ALA 2 Ca 0.00 -1.05 0.27 0.00 0.00 0.00 0.00 51.96 51.19 2k46 s ALA 2 Cb 0.00 -3.22 0.93 0.00 0.00 0.00 0.00 23.12 20.84 2k46 s ALA 2 CO 0.00 -1.55 1.68 -1.33 0.00 0.00 0.00 175.76 174.57 2k46 n MET 3 N 6.12 0.53 -3.78 0.00 0.00 -1.26 -4.83 117.12 113.89 2k46 n MET 3 Ca -0.02 -0.24 -0.13 0.00 0.00 0.00 0.00 57.70 57.31 2k46 n MET 3 Cb 0.48 -1.49 -0.12 0.00 0.00 0.00 0.00 33.22 32.09 2k46 n MET 3 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2k46 s SER 4 N -2.64 -0.24 0.00 7.83 0.01 -1.26 -5.07 113.70 112.33 2k46 s SER 4 Ca 0.22 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2k46 s SER 4 Cb 0.19 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.88 2k46 s SER 4 CO 0.54 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.71 2k46 n GLY 5 N 3.12 -1.99 0.06 3.44 0.00 -1.26 -5.05 105.19 103.51 2k46 n GLY 5 Ca -0.14 0.95 -0.13 0.00 0.00 0.00 0.00 46.02 46.69 2k46 n GLY 5 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k46 h LEU 6 N 0.00 -0.02 -1.99 0.99 5.85 -1.87 -2.73 115.31 115.54 2k46 h LEU 6 Ca 0.00 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.33 2k46 h LEU 6 Cb 0.00 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2k46 h LEU 6 CO 0.00 0.39 0.34 0.00 -0.34 0.00 0.00 178.44 178.84 2k46 h ALA 7 N 0.53 1.39 0.00 1.25 0.00 -1.80 0.23 119.26 120.86 2k46 h ALA 7 Ca -0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2k46 h ALA 7 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k46 h ALA 7 CO 0.00 -0.36 -0.79 0.22 0.00 0.00 0.00 179.25 178.33 2k46 h ASP 8 N 0.00 0.00 0.41 0.00 3.58 -1.83 -3.32 116.42 115.26 2k46 h ASP 8 Ca 0.01 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.37 2k46 h ASP 8 Cb 0.70 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 2k46 h ASP 8 CO -0.00 0.78 -1.68 0.29 -2.88 0.00 0.00 179.24 175.75 2k46 n LYS 9 N -3.29 0.64 -1.43 0.28 4.76 0.01 -4.97 118.16 114.17 2k46 n LYS 9 Ca 0.01 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.01 2k46 n LYS 9 Cb 0.85 -1.66 -0.01 0.00 -1.84 0.00 0.00 35.03 32.37 2k46 n LYS 9 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2k46 n VAL 10 N -2.58 1.65 0.00 -0.18 3.14 -0.86 -2.70 118.33 116.80 2k46 n VAL 10 Ca -0.08 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.80 2k46 n VAL 10 Cb 0.71 -0.35 0.00 0.00 -1.06 0.00 0.00 33.84 33.14 2k46 n VAL 10 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2k46 n ILE 11 N -0.48 0.00 -3.64 1.55 -5.35 -1.18 -4.86 119.36 105.41 2k46 n ILE 11 Ca 0.13 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.55 2k46 n ILE 11 Cb 0.34 -0.01 -0.07 0.00 -1.74 0.00 0.00 39.64 38.16 2k46 n ILE 11 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2k46 s TRP 12 N -0.63 -0.28 -0.18 4.28 -0.00 -1.13 -5.08 118.94 115.92 2k46 s TRP 12 Ca 0.00 0.67 -0.27 0.00 -0.00 0.00 0.00 56.10 56.50 2k46 s TRP 12 Cb 0.00 0.42 0.07 0.00 -0.00 0.00 0.00 33.47 33.96 2k46 s TRP 12 CO 0.00 -0.15 0.70 0.00 -0.00 0.00 0.00 176.95 177.50 2k46 s ALA 13 N 0.02 -1.77 -0.11 5.86 0.00 -1.26 -1.19 121.76 123.33 2k46 s ALA 13 Ca 0.05 1.74 -0.06 0.00 0.00 0.00 0.00 51.96 53.69 2k46 s ALA 13 Cb -0.05 -0.71 0.05 0.00 0.00 0.00 0.00 23.12 22.41 2k46 s ALA 13 CO -0.10 -0.35 0.26 0.08 0.00 0.00 0.00 175.76 175.65 2k46 s VAL 14 N -0.24 -0.04 -0.50 0.00 1.01 0.10 -2.08 120.40 118.66 2k46 s VAL 14 Ca -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2k46 s VAL 14 Cb -0.03 -0.40 0.13 0.00 0.00 0.00 0.00 36.38 36.08 2k46 s VAL 14 CO 0.05 0.05 0.28 0.21 0.00 0.00 0.00 175.10 175.69 2k46 s ASN 15 N 1.16 5.09 -0.71 3.32 3.84 -1.26 -0.26 114.94 126.12 2k46 s ASN 15 Ca -0.08 -2.47 -0.26 0.00 0.21 0.00 0.00 52.86 50.25 2k46 s ASN 15 Cb -0.09 -1.80 -0.12 0.00 -0.55 0.00 0.00 41.25 38.69 2k46 s ASN 15 CO -0.08 -0.42 2.41 0.00 -2.79 0.00 0.00 177.10 176.22 2k46 s ALA 16 N 0.49 0.94 0.00 1.71 0.00 0.56 -4.03 121.76 121.43 2k46 s ALA 16 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2k46 s ALA 16 Cb -0.22 -4.52 0.00 0.00 0.00 0.00 0.00 23.12 18.39 2k46 s ALA 16 CO -0.04 -5.54 0.00 0.41 0.00 0.00 0.00 175.76 170.59 2k46 n GLY 17 N 6.60 -1.91 0.00 0.00 0.00 -1.24 -3.10 105.19 105.53 2k46 n GLY 17 Ca 0.44 0.78 0.00 0.00 0.00 0.00 0.00 46.02 47.24 2k46 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k46 n GLY 18 N 0.00 -1.95 3.60 -0.02 0.00 -1.26 -3.64 105.19 101.92 2k46 n GLY 18 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 2k46 n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k46 s GLU 19 N 0.00 0.55 0.00 1.61 2.12 -1.26 -4.17 118.70 117.55 2k46 s GLU 19 Ca 0.00 1.40 0.00 0.00 0.36 0.00 0.00 54.97 56.73 2k46 s GLU 19 Cb 0.00 0.81 0.00 0.00 0.26 0.00 0.00 34.13 35.20 2k46 s GLU 19 CO 0.00 -0.21 0.00 0.43 -0.54 0.00 0.00 175.26 174.94 2k46 n SER 20 N 5.44 -4.14 -4.23 -1.70 7.64 -1.23 -4.88 113.62 110.52 2k46 n SER 20 Ca -0.11 0.40 -0.28 0.00 1.01 0.00 0.00 58.87 59.89 2k46 n SER 20 Cb 0.49 -0.90 -0.16 0.00 -1.01 0.00 0.00 64.21 62.63 2k46 n SER 20 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2k46 s HIS 21 N -0.28 1.91 -0.35 1.43 2.46 -1.09 -4.89 115.29 114.48 2k46 s HIS 21 Ca 0.00 -0.36 -0.01 0.00 0.47 0.00 0.00 55.06 55.16 2k46 s HIS 21 Cb 0.00 -1.23 0.08 0.00 -0.13 0.00 0.00 32.58 31.30 2k46 s HIS 21 CO 0.00 -0.03 0.09 0.54 -2.47 0.00 0.00 174.74 172.87 2k46 s VAL 22 N -0.50 2.98 0.77 0.89 0.11 -1.26 -0.41 120.40 122.98 2k46 s VAL 22 Ca 0.08 -1.84 -0.13 0.00 -2.93 0.00 0.00 61.98 57.17 2k46 s VAL 22 Cb -0.08 -2.93 0.06 0.00 -1.53 0.00 0.00 36.38 31.90 2k46 s VAL 22 CO -0.01 -0.44 1.15 -0.62 -3.33 0.00 0.00 175.10 171.85 2k46 s ASP 23 N 1.44 4.14 0.27 3.54 -1.08 0.00 -4.77 116.67 120.20 2k46 s ASP 23 Ca 0.03 2.12 -0.04 0.00 -0.52 0.00 0.00 52.55 54.14 2k46 s ASP 23 Cb -0.21 -2.56 0.54 0.00 -1.46 0.00 0.00 42.92 39.23 2k46 s ASP 23 CO -0.04 -2.29 1.61 -0.37 0.52 0.00 0.00 175.17 174.60 2k46 h VAL 24 N -0.80 0.20 0.00 1.11 -1.51 -1.95 1.26 116.25 114.57 2k46 h VAL 24 Ca -0.45 -0.02 -0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2k46 h VAL 24 Cb 1.26 0.13 -0.00 0.00 -2.13 0.00 0.00 31.29 30.56 2k46 h VAL 24 CO 0.49 0.01 -0.00 0.45 -1.23 0.00 0.00 177.57 177.29 2k46 h HIS 25 N 0.06 0.00 0.00 5.19 3.86 -2.03 -3.45 115.15 118.78 2k46 h HIS 25 Ca 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 2k46 h HIS 25 Cb 0.88 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.35 2k46 h HIS 25 CO -0.49 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.71 2k46 n GLY 26 N -0.81 1.51 3.44 2.45 0.00 0.43 -3.63 105.19 108.58 2k46 n GLY 26 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2k46 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k46 s ILE 27 N -2.00 4.65 -0.15 -0.61 -1.09 -1.12 -4.56 121.20 116.32 2k46 s ILE 27 Ca 0.00 -0.47 -0.08 0.00 -2.23 0.00 0.00 60.65 57.87 2k46 s ILE 27 Cb 0.00 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.43 2k46 s ILE 27 CO 0.00 0.02 0.13 -2.28 -1.23 0.00 0.00 174.94 171.58 2k46 s HIS 28 N 1.61 3.51 -0.14 3.97 2.46 -1.25 -0.82 115.29 124.64 2k46 s HIS 28 Ca 0.04 0.43 -0.07 0.00 0.47 0.00 0.00 55.06 55.94 2k46 s HIS 28 Cb -0.17 -2.01 -0.04 0.00 -0.13 0.00 0.00 32.58 30.22 2k46 s HIS 28 CO 0.07 0.56 0.09 -0.47 -2.47 0.00 0.00 174.74 172.52 2k46 s TYR 29 N -0.52 3.40 -0.52 3.88 5.04 0.45 -4.09 117.35 124.99 2k46 s TYR 29 Ca 0.12 0.32 -0.24 0.00 -2.44 0.00 0.00 57.07 54.83 2k46 s TYR 29 Cb -0.12 -1.98 0.04 0.00 0.35 0.00 0.00 41.96 40.25 2k46 s TYR 29 CO 0.02 0.48 0.92 1.03 -1.34 0.00 0.00 175.55 176.66 2k46 s ARG 30 N -0.45 3.38 0.10 4.97 0.52 -0.88 -2.67 118.95 123.91 2k46 s ARG 30 Ca 0.11 -0.17 -0.22 0.00 -0.52 0.00 0.00 55.73 54.93 2k46 s ARG 30 Cb -0.12 -4.02 -0.13 0.00 0.52 0.00 0.00 34.95 31.21 2k46 s ARG 30 CO 0.02 -1.40 0.48 1.17 0.02 0.00 0.00 175.30 175.59 2k46 n LYS 31 N 7.33 0.00 -0.16 3.54 0.00 -1.26 -3.75 118.16 123.86 2k46 n LYS 31 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.34 2k46 n LYS 31 Cb 0.48 -0.81 0.00 0.00 0.00 0.00 0.00 35.03 34.69 2k46 n LYS 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2k46 n ASP 32 N 1.32 0.00 -0.03 3.14 9.92 -1.26 -4.80 116.55 124.84 2k46 n ASP 32 Ca 0.13 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.40 2k46 n ASP 32 Cb 0.14 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.49 2k46 n ASP 32 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2k46 n PRO 33 N -0.00 0.66 -0.04 -0.24 -0.04 -1.25 -3.76 135.00 130.33 2k46 n PRO 33 Ca 0.00 -0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 2k46 n PRO 33 Cb 0.00 -1.61 -0.06 0.00 -0.04 0.00 0.00 33.50 31.79 2k46 n PRO 33 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2k46 n LEU 34 N -2.62 0.23 -4.50 1.53 -0.00 -1.26 -3.95 117.00 106.43 2k46 n LEU 34 Ca -0.16 -0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.54 2k46 n LEU 34 Cb 0.85 0.15 -0.06 0.00 -0.00 0.00 0.00 43.42 44.36 2k46 n LEU 34 CO 0.44 0.22 1.61 1.21 -0.00 0.00 0.00 177.39 180.87 2k46 n GLU 35 N -2.32 1.75 0.00 1.47 0.00 -1.26 -3.36 120.64 116.92 2k46 n GLU 35 Ca -0.13 -2.50 0.00 0.00 0.00 0.00 0.00 57.16 54.54 2k46 n GLU 35 Cb 0.74 -3.64 0.00 0.00 0.00 0.00 0.00 31.44 28.54 2k46 n GLU 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k46 n GLY 36 N 5.63 2.20 3.17 8.31 0.00 -1.26 -3.64 105.19 119.59 2k46 n GLY 36 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2k46 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 n ARG 37 N -1.99 -1.58 -3.60 1.61 1.74 -1.21 -4.88 116.66 106.75 2k46 n ARG 37 Ca 0.00 0.38 -0.12 0.00 -0.77 0.00 0.00 57.85 57.34 2k46 n ARG 37 Cb 0.00 -4.80 -0.11 0.00 -1.02 0.00 0.00 32.46 26.53 2k46 n ARG 37 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2k46 s VAL 38 N -0.96 -0.50 0.00 1.55 -7.23 -1.24 -4.73 120.40 107.28 2k46 s VAL 38 Ca 0.00 0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 2k46 s VAL 38 Cb 0.00 -0.58 0.00 0.00 0.56 0.00 0.00 36.38 36.36 2k46 s VAL 38 CO 0.00 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 2k46 n GLY 39 N 5.36 2.42 2.01 2.32 0.00 -1.26 -5.04 105.19 110.99 2k46 n GLY 39 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2k46 n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k46 n ARG 40 N 0.00 0.00 0.02 1.61 0.63 -1.26 -5.06 116.66 112.61 2k46 n ARG 40 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2k46 n ARG 40 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2k46 n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k46 n ALA 41 N -2.58 0.00 -3.41 5.13 0.00 -1.26 -4.49 120.51 113.91 2k46 n ALA 41 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2k46 n ALA 41 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 2k46 n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k46 n SER 42 N -2.91 -5.35 -4.01 0.00 2.88 -1.26 -3.96 113.62 99.01 2k46 n SER 42 Ca 0.00 -0.47 -0.41 0.00 -1.33 0.00 0.00 58.87 56.66 2k46 n SER 42 Cb 0.00 -4.36 -0.01 0.00 -0.75 0.00 0.00 64.21 59.08 2k46 n SER 42 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2k46 n ASP 43 N -2.39 3.91 0.01 -3.46 5.75 -1.26 -4.49 116.55 114.62 2k46 n ASP 43 Ca -0.02 -2.83 0.11 0.00 -0.01 0.00 0.00 54.79 52.04 2k46 n ASP 43 Cb 0.56 -1.61 -0.10 0.00 -1.03 0.00 0.00 41.12 38.94 2k46 n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k46 n TYR 44 N 7.52 0.18 -0.77 2.11 9.36 -1.26 -4.29 117.16 130.00 2k46 n TYR 44 Ca 0.50 0.05 -0.20 0.00 3.32 0.00 0.00 57.90 61.58 2k46 n TYR 44 Cb 0.42 -0.46 0.08 0.00 -0.63 0.00 0.00 39.34 38.75 2k46 n TYR 44 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k46 n GLY 45 N 1.32 4.21 0.20 2.98 0.00 -1.26 -4.25 105.19 108.38 2k46 n GLY 45 Ca -0.01 -1.14 0.14 0.00 0.00 0.00 0.00 46.02 45.01 2k46 n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2k46 n MET 46 N -0.30 0.92 -0.04 1.61 2.81 -1.26 -3.78 117.12 117.09 2k46 n MET 46 Ca 0.40 -0.40 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2k46 n MET 46 Cb 0.90 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.94 2k46 n MET 46 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2k46 n LYS 47 N -0.70 1.17 -3.00 0.03 2.85 -1.26 -3.87 118.16 113.38 2k46 n LYS 47 Ca 0.16 -0.16 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 2k46 n LYS 47 Cb 0.29 -1.35 0.01 0.00 -0.65 0.00 0.00 35.03 33.33 2k46 n LYS 47 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2k46 n LEU 48 N -0.12 -0.63 -4.67 -5.58 7.94 -1.25 -5.13 117.00 107.57 2k46 n LEU 48 Ca 0.01 -4.39 -0.53 0.00 -1.11 0.00 0.00 56.01 49.99 2k46 n LEU 48 Cb 0.20 0.79 -0.06 0.00 0.53 0.00 0.00 43.42 44.88 2k46 n LEU 48 CO 0.01 2.17 1.21 -2.65 -1.11 0.00 0.00 177.39 177.03 2k46 n PRO 49 N 0.55 1.44 -1.56 1.96 -0.02 -1.25 -4.81 135.00 131.30 2k46 n PRO 49 Ca 0.17 0.52 -0.44 0.00 -2.02 0.00 0.00 63.50 61.73 2k46 n PRO 49 Cb 0.66 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 2k46 n PRO 49 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2k46 n ILE 50 N 3.93 0.28 -0.00 4.25 -0.00 -1.26 -4.85 119.36 121.70 2k46 n ILE 50 Ca 0.22 -0.44 -0.10 0.00 -0.00 0.00 0.00 62.75 62.43 2k46 n ILE 50 Cb 0.19 -2.39 -0.04 0.00 -0.00 0.00 0.00 39.64 37.41 2k46 n ILE 50 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 2k46 h LEU 51 N 14.85 -0.93 -1.86 1.39 6.46 -1.88 -2.48 115.31 130.86 2k46 h LEU 51 Ca -0.37 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 2k46 h LEU 51 Cb 1.26 0.40 0.00 0.00 -0.73 0.00 0.00 40.66 41.59 2k46 h LEU 51 CO 0.99 -0.34 0.00 0.54 -0.62 0.00 0.00 178.44 179.01 2k46 n ARG 52 N -5.40 0.73 -3.91 1.25 1.74 -1.26 -4.75 116.66 105.07 2k46 n ARG 52 Ca -0.03 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.94 2k46 n ARG 52 Cb 0.32 -1.17 -0.12 0.00 -1.02 0.00 0.00 32.46 30.47 2k46 n ARG 52 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2k46 s SER 53 N 0.82 0.08 0.53 0.55 0.15 -0.94 -4.89 113.70 110.00 2k46 s SER 53 Ca 0.00 -0.18 -0.22 0.00 0.70 0.00 0.00 55.95 56.25 2k46 s SER 53 Cb 0.00 0.10 -0.05 0.00 -1.71 0.00 0.00 66.02 64.36 2k46 s SER 53 CO 0.00 -0.17 1.29 0.21 1.20 0.00 0.00 173.24 175.77 2k46 s ASN 54 N -0.72 5.47 0.17 5.45 2.47 -1.26 -4.61 114.94 121.90 2k46 s ASN 54 Ca -0.08 2.60 -0.29 0.00 0.42 0.00 0.00 52.86 55.51 2k46 s ASN 54 Cb -0.05 -2.62 -0.02 0.00 -1.45 0.00 0.00 41.25 37.11 2k46 s ASN 54 CO -0.00 -1.42 1.54 -0.65 -3.72 0.00 0.00 177.10 172.85 2k46 h PRO 55 N 1.52 -0.05 0.40 0.43 0.11 -1.97 2.39 132.00 134.83 2k46 h PRO 55 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2k46 h PRO 55 Cb 1.29 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2k46 h PRO 55 CO 0.58 -0.03 -0.19 0.93 -0.21 0.00 0.00 178.00 179.07 2k46 h GLU 56 N -0.05 -0.51 0.00 1.05 4.39 -1.99 -1.88 114.58 115.59 2k46 h GLU 56 Ca 0.18 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2k46 h GLU 56 Cb 0.47 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2k46 h GLU 56 CO -0.90 -0.28 0.00 -0.40 -1.16 0.00 0.00 179.01 176.27 2k46 n ASP 57 N -5.27 0.24 -0.10 1.42 5.68 -0.93 -1.45 116.55 116.12 2k46 n ASP 57 Ca -0.11 0.56 -0.10 0.00 -0.50 0.00 0.00 54.79 54.64 2k46 n ASP 57 Cb 0.25 -0.61 -0.03 0.00 -1.14 0.00 0.00 41.12 39.60 2k46 n ASP 57 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2k46 h GLN 58 N 0.00 0.50 -0.17 0.11 -0.00 0.49 0.26 115.11 116.29 2k46 h GLN 58 Ca 0.00 -0.12 0.05 0.00 -0.00 0.00 0.00 58.65 58.58 2k46 h GLN 58 Cb 0.29 -0.07 -0.05 0.00 0.00 0.00 0.00 27.48 27.65 2k46 h GLN 58 CO 0.00 0.56 -0.14 0.28 0.00 0.00 0.00 178.83 179.52 2k46 h VAL 59 N 0.34 0.60 0.00 2.39 2.07 -1.03 0.85 116.25 121.46 2k46 h VAL 59 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2k46 h VAL 59 Cb 0.28 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2k46 h VAL 59 CO 0.00 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.48 2k46 n LEU 60 N -5.30 0.00 -0.04 2.57 7.94 -0.98 -1.61 117.00 119.58 2k46 n LEU 60 Ca -0.02 0.36 0.06 0.00 -1.11 0.00 0.00 56.01 55.30 2k46 n LEU 60 Cb 0.21 -0.36 0.08 0.00 0.53 0.00 0.00 43.42 43.89 2k46 n LEU 60 CO 0.21 -0.17 0.54 -1.22 -1.11 0.00 0.00 177.39 175.64 2k46 n TYR 61 N -1.36 0.00 0.00 1.96 4.02 0.88 -4.63 117.16 118.03 2k46 n TYR 61 Ca 0.06 -0.80 0.00 0.00 -0.01 0.00 0.00 57.90 57.15 2k46 n TYR 61 Cb 0.14 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 2k46 n TYR 61 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2k46 n GLN 62 N -1.06 0.00 0.00 -0.72 7.27 0.27 -4.85 117.38 118.28 2k46 n GLN 62 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.17 2k46 n GLN 62 Cb 0.49 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.14 2k46 n GLN 62 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k46 n THR 63 N 0.00 0.00 0.02 1.69 -2.24 -1.18 -4.61 114.28 107.96 2k46 n THR 63 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k46 n THR 63 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2k46 n THR 63 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2k46 n GLU 64 N 0.00 0.00 -0.19 -0.78 0.28 -1.24 -4.83 120.64 113.87 2k46 n GLU 64 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 2k46 n GLU 64 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 2k46 n GLU 64 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2k46 n ARG 65 N -2.49 -0.39 -2.33 3.44 1.74 -1.24 -3.71 116.66 111.67 2k46 n ARG 65 Ca 0.00 0.26 -0.26 0.00 -0.77 0.00 0.00 57.85 57.08 2k46 n ARG 65 Cb 0.00 -0.48 0.15 0.00 -1.02 0.00 0.00 32.46 31.11 2k46 n ARG 65 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2k46 s TYR 66 N -0.44 1.42 0.27 -1.55 2.02 -1.26 -4.96 117.35 112.84 2k46 s TYR 66 Ca 0.00 -0.09 -0.10 0.00 -0.37 0.00 0.00 57.07 56.51 2k46 s TYR 66 Cb 0.00 -3.47 -0.00 0.00 -0.40 0.00 0.00 41.96 38.09 2k46 s TYR 66 CO 0.00 -2.18 0.45 -0.80 -1.57 0.00 0.00 175.55 171.45 2k46 s ASN 67 N -4.83 0.14 0.00 2.29 -0.87 -1.26 -5.02 114.94 105.38 2k46 s ASN 67 Ca 0.70 -1.10 0.00 0.00 -1.57 0.00 0.00 52.86 50.90 2k46 s ASN 67 Cb -0.04 0.59 0.00 0.00 -0.02 0.00 0.00 41.25 41.78 2k46 s ASN 67 CO 0.48 -1.16 0.00 1.21 -2.57 0.00 0.00 177.10 175.06 2k46 n GLU 68 N -0.41 0.00 -3.64 -0.60 2.13 -1.26 -5.02 120.64 111.84 2k46 n GLU 68 Ca -0.01 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.78 2k46 n GLU 68 Cb 0.62 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.27 2k46 n GLU 68 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 2k46 s ASP 69 N 1.72 -0.47 -0.18 4.31 1.47 -1.26 -3.99 116.67 118.28 2k46 s ASP 69 Ca 0.00 0.77 -0.03 0.00 1.18 0.00 0.00 52.55 54.47 2k46 s ASP 69 Cb 0.00 1.12 0.01 0.00 -0.34 0.00 0.00 42.92 43.71 2k46 s ASP 69 CO 0.00 -0.12 0.06 -0.24 0.68 0.00 0.00 175.17 175.54 2k46 n SER 70 N 3.41 -5.94 -3.70 2.11 2.88 -1.26 -5.02 113.62 106.10 2k46 n SER 70 Ca -0.17 1.14 -0.03 0.00 -1.33 0.00 0.00 58.87 58.48 2k46 n SER 70 Cb 0.57 -4.07 -0.01 0.00 -0.75 0.00 0.00 64.21 59.95 2k46 n SER 70 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2k46 s PHE 71 N -1.09 -0.13 0.00 0.66 -0.71 -1.11 -5.02 117.98 110.57 2k46 s PHE 71 Ca -0.07 -0.11 0.00 0.00 -1.04 0.00 0.00 56.93 55.71 2k46 s PHE 71 Cb 0.00 0.61 0.00 0.00 -1.21 0.00 0.00 43.02 42.42 2k46 s PHE 71 CO 0.53 -0.67 0.00 0.41 -1.34 0.00 0.00 175.22 174.15 2k46 n GLY 72 N -0.45 2.05 3.32 1.99 0.00 -1.26 -2.60 105.19 108.23 2k46 n GLY 72 Ca -0.07 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 2k46 n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k46 s TYR 73 N -0.40 1.54 -0.04 1.61 1.51 -0.98 -4.87 117.35 115.71 2k46 s TYR 73 Ca 0.00 -1.32 0.05 0.00 -1.01 0.00 0.00 57.07 54.79 2k46 s TYR 73 Cb 0.00 -0.84 -0.01 0.00 -0.11 0.00 0.00 41.96 41.01 2k46 s TYR 73 CO 0.00 -0.48 -0.20 0.16 -1.11 0.00 0.00 175.55 173.92 2k46 s ASP 74 N -3.33 2.45 -0.49 2.29 1.47 -1.26 -2.35 116.67 115.45 2k46 s ASP 74 Ca 0.37 -0.40 0.03 0.00 1.18 0.00 0.00 52.55 53.72 2k46 s ASP 74 Cb 0.06 -0.64 0.15 0.00 -0.34 0.00 0.00 42.92 42.15 2k46 s ASP 74 CO 0.16 0.19 0.31 -0.63 0.68 0.00 0.00 175.17 175.87 2k46 s ILE 75 N -0.07 1.54 0.06 2.11 1.09 0.80 -4.91 121.20 121.81 2k46 s ILE 75 Ca -0.03 -2.92 -0.34 0.00 -1.10 0.00 0.00 60.65 56.26 2k46 s ILE 75 Cb -0.12 -2.06 -0.13 0.00 -1.06 0.00 0.00 42.46 39.09 2k46 s ILE 75 CO 0.02 -0.97 1.68 -2.65 -0.10 0.00 0.00 174.94 172.92 2k46 n PRO 76 N 3.11 2.09 -4.38 2.79 -0.02 -1.26 -0.58 135.00 136.75 2k46 n PRO 76 Ca 0.14 0.76 -0.28 0.00 -2.02 0.00 0.00 63.50 62.10 2k46 n PRO 76 Cb 0.37 -2.55 -0.13 0.00 -0.02 0.00 0.00 33.50 31.17 2k46 n PRO 76 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2k46 s ILE 77 N 2.12 2.14 0.00 4.25 1.01 -1.16 -4.92 121.20 124.64 2k46 s ILE 77 Ca 0.85 -1.71 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2k46 s ILE 77 Cb -0.71 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 39.86 2k46 s ILE 77 CO 0.44 0.06 0.14 2.29 0.00 0.00 0.00 174.94 177.87 2k46 n LYS 78 N 0.96 0.00 -4.32 2.79 -0.00 -1.26 -4.84 118.16 111.49 2k46 n LYS 78 Ca -0.18 -0.14 -0.16 0.00 -0.00 0.00 0.00 58.31 57.82 2k46 n LYS 78 Cb 0.53 -0.47 -0.10 0.00 -0.00 0.00 0.00 35.03 34.98 2k46 n LYS 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2k46 s GLU 79 N 0.00 1.31 0.53 -1.58 2.56 -1.26 -5.16 118.70 115.10 2k46 s GLU 79 Ca 0.00 -1.67 0.02 0.00 0.00 0.00 0.00 54.97 53.33 2k46 s GLU 79 Cb 0.00 -0.52 0.01 0.00 2.00 0.00 0.00 34.13 35.62 2k46 s GLU 79 CO 0.00 -0.13 0.14 -1.21 -0.56 0.00 0.00 175.26 173.51 2k46 s GLU 80 N -3.89 2.22 0.00 4.30 8.01 -1.26 -5.02 118.70 123.06 2k46 s GLU 80 Ca 0.29 -2.28 0.00 0.00 0.01 0.00 0.00 54.97 52.99 2k46 s GLU 80 Cb 0.06 -1.73 0.00 0.00 -4.31 0.00 0.00 34.13 28.15 2k46 s GLU 80 CO 0.09 -0.47 0.00 0.41 0.01 0.00 0.00 175.26 175.30 2k46 n GLY 81 N -1.46 0.47 3.35 -1.39 0.00 -0.80 -4.84 105.19 100.52 2k46 n GLY 81 Ca -0.14 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 2k46 n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 82 N -1.09 2.80 -0.20 1.61 0.41 -1.12 -1.55 118.70 119.56 2k46 s GLU 82 Ca 0.00 -1.08 -0.14 0.00 -0.41 0.00 0.00 54.97 53.34 2k46 s GLU 82 Cb 0.00 -3.64 -0.04 0.00 -1.78 0.00 0.00 34.13 28.67 2k46 s GLU 82 CO 0.00 -0.67 0.31 0.71 -0.49 0.00 0.00 175.26 175.12 2k46 s TYR 83 N 1.51 3.38 -0.20 1.61 1.51 -0.53 0.15 117.35 124.78 2k46 s TYR 83 Ca 0.01 0.51 -0.02 0.00 -1.01 0.00 0.00 57.07 56.56 2k46 s TYR 83 Cb -0.19 -2.41 -0.00 0.00 -0.11 0.00 0.00 41.96 39.24 2k46 s TYR 83 CO 0.05 0.07 -0.10 0.08 -1.11 0.00 0.00 175.55 174.55 2k46 s VAL 84 N 1.04 2.96 -0.44 0.71 1.01 -1.04 -0.17 120.40 124.47 2k46 s VAL 84 Ca 0.15 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 2k46 s VAL 84 Cb -0.14 -2.31 0.07 0.00 0.00 0.00 0.00 36.38 34.00 2k46 s VAL 84 CO 0.06 0.47 0.31 -0.22 0.00 0.00 0.00 175.10 175.72 2k46 s LEU 85 N 1.29 5.31 -0.14 3.92 0.20 -1.10 -2.58 118.68 125.57 2k46 s LEU 85 Ca 0.03 -1.37 -0.03 0.00 0.69 0.00 0.00 54.13 53.46 2k46 s LEU 85 Cb -0.14 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.52 2k46 s LEU 85 CO -0.05 -0.57 -0.04 -0.69 -0.29 0.00 0.00 176.35 174.71 2k46 s VAL 86 N 1.53 3.88 -0.10 1.68 1.01 -0.75 -2.12 120.40 125.52 2k46 s VAL 86 Ca 0.03 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 2k46 s VAL 86 Cb -0.23 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.50 2k46 s VAL 86 CO 0.05 0.52 0.27 -1.48 0.00 0.00 0.00 175.10 174.45 2k46 s LEU 87 N 0.10 0.89 -0.22 3.92 2.34 -1.12 -1.71 118.68 122.88 2k46 s LEU 87 Ca -0.01 0.55 -0.11 0.00 0.06 0.00 0.00 54.13 54.62 2k46 s LEU 87 Cb -0.14 0.91 -0.05 0.00 -0.56 0.00 0.00 46.19 46.36 2k46 s LEU 87 CO 0.03 -0.10 0.19 -0.75 -1.06 0.00 0.00 176.35 174.66 2k46 s LYS 88 N 0.28 4.13 0.02 1.48 2.36 -1.18 -2.63 119.74 124.20 2k46 s LYS 88 Ca -0.01 -0.17 0.02 0.00 -2.55 0.00 0.00 55.97 53.26 2k46 s LYS 88 Cb -0.03 -3.50 -0.04 0.00 -1.05 0.00 0.00 37.83 33.21 2k46 s LYS 88 CO -0.01 0.12 0.02 -0.06 1.55 0.00 0.00 175.35 176.97 2k46 s PHE 89 N 0.88 3.10 -0.01 4.03 0.08 -0.51 -1.21 117.98 124.35 2k46 s PHE 89 Ca 0.10 0.08 -0.04 0.00 0.12 0.00 0.00 56.93 57.18 2k46 s PHE 89 Cb -0.13 -1.65 -0.00 0.00 -0.57 0.00 0.00 43.02 40.67 2k46 s PHE 89 CO 0.03 0.48 0.08 0.00 -0.10 0.00 0.00 175.22 175.72 2k46 s ALA 90 N -1.16 -0.19 0.04 5.36 0.00 -1.15 -2.58 121.76 122.09 2k46 s ALA 90 Ca 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 2k46 s ALA 90 Cb -0.12 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2k46 s ALA 90 CO 0.13 -0.14 -0.03 -1.91 0.00 0.00 0.00 175.76 173.82 2k46 n GLU 91 N 2.06 0.04 -0.65 0.00 2.13 -1.26 -2.23 120.64 120.73 2k46 n GLU 91 Ca -0.19 0.02 0.08 0.00 0.66 0.00 0.00 57.16 57.72 2k46 n GLU 91 Cb 0.57 -0.57 -0.02 0.00 0.27 0.00 0.00 31.44 31.68 2k46 n GLU 91 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2k46 n VAL 92 N -3.38 0.00 0.00 6.31 0.24 -1.26 -4.67 118.33 115.57 2k46 n VAL 92 Ca -0.02 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2k46 n VAL 92 Cb 0.23 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 2k46 n VAL 92 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k46 n TYR 93 N -2.20 0.00 -2.41 6.34 4.19 -1.26 -4.80 117.16 117.02 2k46 n TYR 93 Ca -0.00 0.00 -0.25 0.00 3.31 0.00 0.00 57.90 60.96 2k46 n TYR 93 Cb 0.57 0.00 0.14 0.00 0.49 0.00 0.00 39.34 40.54 2k46 n TYR 93 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 2k46 s PHE 94 N 0.00 1.43 -0.46 2.98 0.08 -1.26 -5.09 117.98 115.66 2k46 s PHE 94 Ca 0.00 -0.16 0.06 0.00 0.12 0.00 0.00 56.93 56.95 2k46 s PHE 94 Cb 0.00 -3.33 0.18 0.00 -0.57 0.00 0.00 43.02 39.30 2k46 s PHE 94 CO 0.00 -2.06 0.55 0.00 -0.10 0.00 0.00 175.22 173.61 2k46 s ALA 95 N -3.38 -0.78 0.01 5.36 0.00 -1.26 -4.94 121.76 116.76 2k46 s ALA 95 Ca 0.69 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.57 2k46 s ALA 95 Cb -0.04 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 2k46 s ALA 95 CO 0.47 -2.14 -0.04 -0.65 0.00 0.00 0.00 175.76 173.40 2k46 s GLN 96 N 0.76 0.34 0.00 0.00 -0.21 -1.26 -5.11 119.66 114.18 2k46 s GLN 96 Ca 0.28 -0.32 0.00 0.00 0.02 0.00 0.00 55.36 55.34 2k46 s GLN 96 Cb -0.01 -0.22 0.00 0.00 1.00 0.00 0.00 33.01 33.77 2k46 s GLN 96 CO -0.09 0.05 0.00 0.43 -2.12 0.00 0.00 175.29 173.56 2k46 n SER 97 N 2.48 0.00 -1.36 5.90 7.64 -1.26 -4.25 113.62 122.77 2k46 n SER 97 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2k46 n SER 97 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2k46 n SER 97 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k46 n GLN 98 N -0.23 0.84 0.00 1.43 -0.00 -1.26 -2.92 117.38 115.24 2k46 n GLN 98 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2k46 n GLN 98 Cb 0.00 -1.08 0.00 0.00 -0.00 0.00 0.00 30.24 29.16 2k46 n GLN 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2k46 n GLN 99 N 1.20 0.00 -2.93 2.61 6.02 -1.26 -4.91 117.38 118.11 2k46 n GLN 99 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.55 2k46 n GLN 99 Cb 0.42 -0.59 0.00 0.00 1.02 0.00 0.00 30.24 31.09 2k46 n GLN 99 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2k46 n LYS 100 N -1.92 3.69 -4.17 -1.09 3.00 -1.15 -4.88 118.16 111.65 2k46 n LYS 100 Ca 0.00 -4.08 -0.27 0.00 -0.00 0.00 0.00 58.31 53.96 2k46 n LYS 100 Cb 0.16 -2.78 -0.07 0.00 0.00 0.00 0.00 35.03 32.33 2k46 n LYS 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2k46 s VAL 101 N -0.32 3.94 0.26 3.15 -7.23 -1.26 -4.26 120.40 114.68 2k46 s VAL 101 Ca 0.37 -1.30 0.03 0.00 -1.81 0.00 0.00 61.98 59.26 2k46 s VAL 101 Cb -0.00 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 2k46 s VAL 101 CO 0.00 -0.09 0.19 -0.36 -0.31 0.00 0.00 175.10 174.53 2k46 s PHE 102 N -1.70 1.42 -0.04 2.82 0.08 -0.36 -4.02 117.98 116.19 2k46 s PHE 102 Ca 0.28 -1.49 0.05 0.00 0.12 0.00 0.00 56.93 55.90 2k46 s PHE 102 Cb -0.10 -0.64 -0.01 0.00 -0.57 0.00 0.00 43.02 41.70 2k46 s PHE 102 CO 0.20 -0.72 -0.20 -0.51 -0.10 0.00 0.00 175.22 173.89 2k46 s ASP 103 N -3.26 2.47 -0.05 1.36 1.01 -0.84 0.86 116.67 118.22 2k46 s ASP 103 Ca 0.39 -0.40 0.02 0.00 0.71 0.00 0.00 52.55 53.27 2k46 s ASP 103 Cb 0.05 -0.53 0.02 0.00 1.01 0.00 0.00 42.92 43.47 2k46 s ASP 103 CO 0.18 0.21 -0.08 -0.69 0.21 0.00 0.00 175.17 175.01 2k46 s VAL 104 N -0.21 0.78 0.05 -1.27 1.01 -0.59 -2.37 120.40 117.81 2k46 s VAL 104 Ca 0.01 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2k46 s VAL 104 Cb -0.11 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 2k46 s VAL 104 CO 0.01 0.28 -0.09 -0.13 0.00 0.00 0.00 175.10 175.17 2k46 s ARG 105 N 0.82 0.59 -0.18 2.72 0.52 -0.21 -1.76 118.95 121.44 2k46 s ARG 105 Ca -0.12 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 54.32 2k46 s ARG 105 Cb -0.15 -0.41 0.02 0.00 0.52 0.00 0.00 34.95 34.93 2k46 s ARG 105 CO 0.01 0.08 -0.19 0.14 0.02 0.00 0.00 175.30 175.37 2k46 s VAL 106 N -1.31 2.18 -1.45 3.52 -7.23 0.77 -1.96 120.40 114.92 2k46 s VAL 106 Ca -0.08 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 2k46 s VAL 106 Cb -0.10 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 34.93 2k46 s VAL 106 CO 0.01 0.53 0.00 -3.20 -0.31 0.00 0.00 175.10 172.13 2k46 n ASN 107 N 4.55 -4.59 0.00 4.85 4.05 0.18 -0.33 115.26 123.96 2k46 n ASN 107 Ca -0.21 0.19 0.00 0.00 0.45 0.00 0.00 54.58 55.01 2k46 n ASN 107 Cb 0.50 -3.94 0.00 0.00 1.23 0.00 0.00 39.78 37.57 2k46 n ASN 107 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k46 n GLY 108 N -0.73 0.74 3.11 8.20 0.00 -1.21 -4.81 105.19 110.49 2k46 n GLY 108 Ca -0.18 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 2k46 n GLY 108 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k46 s HIS 109 N -2.00 3.09 0.07 1.61 3.76 0.55 -5.05 115.29 117.32 2k46 s HIS 109 Ca 0.00 -2.00 -0.31 0.00 -0.15 0.00 0.00 55.06 52.60 2k46 s HIS 109 Cb 0.00 -1.95 -0.08 0.00 1.11 0.00 0.00 32.58 31.66 2k46 s HIS 109 CO 0.00 -0.84 1.67 0.95 -0.85 0.00 0.00 174.74 175.68 2k46 s THR 110 N 1.19 3.03 0.00 1.30 -4.23 -1.26 -0.17 115.64 115.51 2k46 s THR 110 Ca -0.03 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 2k46 s THR 110 Cb -0.17 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.37 2k46 s THR 110 CO -0.07 -0.00 0.00 0.52 -0.54 0.00 0.00 174.62 174.52 2k46 n VAL 111 N 4.78 0.00 -3.53 2.29 0.31 -0.72 -4.93 118.33 116.53 2k46 n VAL 111 Ca 0.16 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.20 2k46 n VAL 111 Cb 0.40 -0.82 -0.12 0.00 -0.91 0.00 0.00 33.84 32.39 2k46 n VAL 111 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2k46 s VAL 112 N -1.94 0.47 -0.12 2.52 1.01 -1.13 -5.06 120.40 116.15 2k46 s VAL 112 Ca 0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 61.98 60.05 2k46 s VAL 112 Cb 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2k46 s VAL 112 CO 0.00 -0.95 0.06 -1.59 0.00 0.00 0.00 175.10 172.62 2k46 s LYS 113 N 0.93 3.33 0.00 2.72 -2.85 -1.26 -1.54 119.74 121.08 2k46 s LYS 113 Ca 0.17 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.83 2k46 s LYS 113 Cb -0.23 -3.00 0.00 0.00 -2.06 0.00 0.00 37.83 32.54 2k46 s LYS 113 CO -0.01 0.64 0.00 -0.25 0.10 0.00 0.00 175.35 175.83 2k46 n ASP 114 N 2.39 -1.88 -4.51 0.03 8.00 0.25 -4.93 116.55 115.89 2k46 n ASP 114 Ca -0.19 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 54.94 2k46 n ASP 114 Cb 0.54 -0.31 -0.12 0.00 -0.02 0.00 0.00 41.12 41.20 2k46 n ASP 114 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2k46 n LEU 115 N 0.00 0.71 -4.27 0.64 7.94 0.14 -4.15 117.00 118.01 2k46 n LEU 115 Ca 0.00 -0.12 -0.45 0.00 -1.11 0.00 0.00 56.01 54.34 2k46 n LEU 115 Cb 0.00 -1.08 -0.04 0.00 0.53 0.00 0.00 43.42 42.83 2k46 n LEU 115 CO 0.00 -1.07 0.33 1.51 -1.11 0.00 0.00 177.39 177.05 2k46 s ASP 116 N 9.17 6.40 0.19 1.96 1.47 -1.26 -1.22 116.67 133.38 2k46 s ASP 116 Ca 1.25 -2.71 -0.13 0.00 1.18 0.00 0.00 52.55 52.14 2k46 s ASP 116 Cb -0.91 -2.13 0.21 0.00 -0.34 0.00 0.00 42.92 39.76 2k46 s ASP 116 CO 0.42 -0.53 1.69 0.40 0.68 0.00 0.00 175.17 177.84 2k46 h ILE 117 N 4.92 0.64 -0.52 2.11 2.04 -1.89 -0.09 117.51 124.72 2k46 h ILE 117 Ca 0.07 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2k46 h ILE 117 Cb 1.02 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2k46 h ILE 117 CO 0.75 0.03 0.32 0.15 0.00 0.00 0.00 178.15 179.40 2k46 h PHE 118 N 0.17 0.68 0.00 1.37 3.57 -1.78 -2.50 116.94 118.45 2k46 h PHE 118 Ca 0.26 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.67 2k46 h PHE 118 Cb 0.39 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2k46 h PHE 118 CO -0.28 0.46 -0.46 0.22 -2.23 0.00 0.00 178.31 176.03 2k46 h ASP 119 N 0.70 0.00 0.38 0.41 1.82 -1.64 0.15 116.42 118.24 2k46 h ASP 119 Ca 0.19 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.81 2k46 h ASP 119 Cb -0.02 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.99 2k46 h ASP 119 CO -0.04 0.46 -0.18 0.03 -1.61 0.00 0.00 179.24 177.90 2k46 h ARG 120 N 0.00 -0.49 0.00 0.28 2.47 -0.68 -3.40 114.38 112.56 2k46 h ARG 120 Ca -0.00 0.03 -0.39 0.00 -1.26 0.00 0.00 59.98 58.36 2k46 h ARG 120 Cb 0.95 0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 29.31 2k46 h ARG 120 CO 0.06 -0.22 -2.48 1.55 0.56 0.00 0.00 179.97 179.44 2k46 n VAL 121 N -5.12 1.49 0.00 2.04 3.14 -0.97 -5.11 118.33 113.80 2k46 n VAL 121 Ca -0.08 -0.57 0.00 0.00 -2.96 0.00 0.00 64.34 60.74 2k46 n VAL 121 Cb 0.25 -1.43 0.00 0.00 -1.06 0.00 0.00 33.84 31.60 2k46 n VAL 121 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k46 n GLY 122 N 2.23 0.21 3.65 7.55 0.00 0.53 -5.02 105.19 114.34 2k46 n GLY 122 Ca -0.46 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 2k46 n GLY 122 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k46 s HIS 123 N -0.59 3.33 0.00 1.61 3.76 -1.26 -4.44 115.29 117.70 2k46 s HIS 123 Ca 0.00 1.22 0.00 0.00 -0.15 0.00 0.00 55.06 56.13 2k46 s HIS 123 Cb 0.00 -3.09 0.00 0.00 1.11 0.00 0.00 32.58 30.60 2k46 s HIS 123 CO 0.00 -0.40 0.00 -1.13 -0.85 0.00 0.00 174.74 172.36 2k46 n SER 124 N 5.98 0.00 -0.39 1.40 3.41 -1.26 -4.90 113.62 117.86 2k46 n SER 124 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2k46 n SER 124 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 2k46 n SER 124 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2k46 n THR 125 N 0.00 0.00 -4.32 6.66 -2.24 -1.26 -4.75 114.28 108.36 2k46 n THR 125 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 2k46 n THR 125 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 2k46 n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 s ALA 126 N -1.56 3.24 -0.05 6.98 0.00 -1.26 -4.85 121.76 124.27 2k46 s ALA 126 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2k46 s ALA 126 Cb 0.00 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 2k46 s ALA 126 CO 0.00 0.45 -0.03 -1.58 0.00 0.00 0.00 175.76 174.60 2k46 s HIS 127 N -0.43 3.03 -0.12 0.00 2.46 -1.06 -4.89 115.29 114.29 2k46 s HIS 127 Ca 0.08 0.08 -0.04 0.00 0.47 0.00 0.00 55.06 55.65 2k46 s HIS 127 Cb -0.12 -1.71 0.06 0.00 -0.13 0.00 0.00 32.58 30.67 2k46 s HIS 127 CO 0.02 0.41 0.22 0.16 -2.47 0.00 0.00 174.74 173.08 2k46 s ASP 128 N -1.07 0.59 -0.07 9.88 -4.77 -1.26 -1.42 116.67 118.56 2k46 s ASP 128 Ca 0.15 0.43 0.04 0.00 -3.30 0.00 0.00 52.55 49.86 2k46 s ASP 128 Cb -0.11 0.50 -0.02 0.00 -1.09 0.00 0.00 42.92 42.20 2k46 s ASP 128 CO 0.04 -0.25 -0.17 -0.70 0.70 0.00 0.00 175.17 174.79 2k46 s GLU 129 N 2.36 2.68 -0.11 2.11 2.56 -1.08 -5.01 118.70 122.22 2k46 s GLU 129 Ca 0.02 -0.76 -0.00 0.00 0.00 0.00 0.00 54.97 54.24 2k46 s GLU 129 Cb -0.12 -2.36 -0.02 0.00 2.00 0.00 0.00 34.13 33.62 2k46 s GLU 129 CO -0.08 0.47 -0.10 0.42 -0.56 0.00 0.00 175.26 175.41 2k46 s ILE 130 N -0.35 3.32 -0.43 -3.70 1.01 -1.26 -2.79 121.20 117.00 2k46 s ILE 130 Ca 0.03 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2k46 s ILE 130 Cb -0.12 -2.39 0.15 0.00 0.01 0.00 0.00 42.46 40.11 2k46 s ILE 130 CO 0.02 0.54 0.29 -0.63 0.00 0.00 0.00 174.94 175.16 2k46 s ILE 131 N -0.02 0.87 0.52 2.92 1.01 -0.90 -5.03 121.20 120.56 2k46 s ILE 131 Ca -0.02 -2.53 -0.22 0.00 0.00 0.00 0.00 60.65 57.88 2k46 s ILE 131 Cb -0.14 -1.60 -0.06 0.00 0.01 0.00 0.00 42.46 40.67 2k46 s ILE 131 CO 0.04 -1.04 1.28 -2.84 0.00 0.00 0.00 174.94 172.37 2k46 s PRO 132 N 0.27 3.35 0.07 2.79 0.02 -1.26 -2.70 135.00 137.54 2k46 s PRO 132 Ca 0.23 2.05 0.01 0.00 0.02 0.00 0.00 61.00 63.31 2k46 s PRO 132 Cb -0.13 -2.29 -0.04 0.00 0.02 0.00 0.00 34.50 32.06 2k46 s PRO 132 CO -0.08 -0.96 -0.06 0.42 -0.33 0.00 0.00 177.00 175.99 2k46 s ILE 133 N -1.41 0.55 -0.23 2.83 1.01 0.76 -4.40 121.20 120.32 2k46 s ILE 133 Ca 0.69 -1.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 2k46 s ILE 133 Cb -0.36 -1.31 0.07 0.00 0.01 0.00 0.00 42.46 40.88 2k46 s ILE 133 CO 0.42 -0.75 0.04 -0.94 0.00 0.00 0.00 174.94 173.72 2k46 s SER 134 N -2.57 3.37 -0.21 3.58 1.04 -1.05 -1.46 113.70 116.40 2k46 s SER 134 Ca 0.04 -1.11 -0.08 0.00 0.48 0.00 0.00 55.95 55.28 2k46 s SER 134 Cb 0.01 -0.74 -0.04 0.00 0.10 0.00 0.00 66.02 65.35 2k46 s SER 134 CO -0.04 -0.33 0.09 -0.63 0.98 0.00 0.00 173.24 173.31 2k46 s ILE 135 N 1.74 4.83 -0.11 -1.02 1.01 -0.60 -1.77 121.20 125.27 2k46 s ILE 135 Ca 0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.56 2k46 s ILE 135 Cb -0.17 -3.21 0.03 0.00 0.01 0.00 0.00 42.46 39.11 2k46 s ILE 135 CO -0.13 0.40 0.29 -0.54 0.00 0.00 0.00 174.94 174.96 2k46 s LYS 136 N 0.83 0.33 -1.91 2.79 1.02 -0.76 -1.91 119.74 120.13 2k46 s LYS 136 Ca 0.05 0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.48 2k46 s LYS 136 Cb -0.13 0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 2k46 s LYS 136 CO 0.02 -0.06 0.00 1.63 -0.92 0.00 0.00 175.35 176.02 2k46 n LYS 137 N 3.17 -1.41 -1.11 1.68 5.02 -1.26 -1.16 118.16 123.09 2k46 n LYS 137 Ca -0.15 1.09 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 2k46 n LYS 137 Cb 0.57 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 2k46 n LYS 137 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k46 n GLY 138 N -0.75 0.45 3.60 0.72 0.00 -1.26 -5.04 105.19 102.90 2k46 n GLY 138 Ca -0.21 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.61 2k46 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 s LYS 139 N -2.23 2.12 -0.14 1.61 1.02 -0.31 -2.28 119.74 119.53 2k46 s LYS 139 Ca 0.00 -1.47 0.02 0.00 0.02 0.00 0.00 55.97 54.55 2k46 s LYS 139 Cb 0.00 -2.08 0.01 0.00 -0.52 0.00 0.00 37.83 35.24 2k46 s LYS 139 CO 0.00 0.37 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.43 2k46 s LEU 140 N -3.49 2.03 -0.31 3.17 0.20 0.21 -1.82 118.68 118.67 2k46 s LEU 140 Ca 0.30 -0.58 -0.02 0.00 0.69 0.00 0.00 54.13 54.52 2k46 s LEU 140 Cb -0.07 -1.38 0.05 0.00 -0.43 0.00 0.00 46.19 44.37 2k46 s LEU 140 CO 0.18 0.05 0.02 -0.55 -0.29 0.00 0.00 176.35 175.76 2k46 s SER 141 N 0.94 4.95 -0.43 3.68 0.15 -0.73 -1.00 113.70 121.26 2k46 s SER 141 Ca -0.05 -1.29 -0.12 0.00 0.70 0.00 0.00 55.95 55.19 2k46 s SER 141 Cb -0.15 -1.73 0.06 0.00 -1.71 0.00 0.00 66.02 62.49 2k46 s SER 141 CO -0.04 -0.28 0.30 0.54 1.20 0.00 0.00 173.24 174.96 2k46 s VAL 142 N 1.26 4.70 0.00 4.45 0.11 -0.36 -2.53 120.40 128.03 2k46 s VAL 142 Ca -0.04 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 57.86 2k46 s VAL 142 Cb -0.20 -3.79 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 2k46 s VAL 142 CO -0.01 -0.47 0.00 0.00 -3.33 0.00 0.00 175.10 171.29 2k46 n GLN 143 N 5.05 0.00 -2.01 1.54 3.00 -1.26 -1.44 117.38 122.26 2k46 n GLN 143 Ca -0.11 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.78 2k46 n GLN 143 Cb 0.44 0.00 0.06 0.00 0.00 0.00 0.00 30.24 30.74 2k46 n GLN 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k46 n GLY 144 N 0.00 4.33 3.04 1.08 0.00 -1.26 -5.04 105.19 107.35 2k46 n GLY 144 Ca 0.00 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 2k46 n GLY 144 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k46 s GLU 145 N -3.27 0.20 -0.09 1.61 -6.30 -0.52 -5.16 118.70 105.17 2k46 s GLU 145 Ca 0.40 0.31 -0.03 0.00 -2.50 0.00 0.00 54.97 53.15 2k46 s GLU 145 Cb 0.38 0.03 -0.04 0.00 0.00 0.00 0.00 34.13 34.51 2k46 s GLU 145 CO -0.02 -0.06 0.04 0.54 0.02 0.00 0.00 175.26 175.78 2k46 s VAL 146 N 0.40 4.64 -0.29 3.70 0.11 -1.26 -1.23 120.40 126.48 2k46 s VAL 146 Ca -0.03 -0.14 -0.15 0.00 -2.93 0.00 0.00 61.98 58.74 2k46 s VAL 146 Cb -0.04 -2.98 0.11 0.00 -1.53 0.00 0.00 36.38 31.94 2k46 s VAL 146 CO -0.02 0.59 0.76 -0.44 -3.33 0.00 0.00 175.10 172.67 2k46 s SER 147 N -0.98 -0.88 0.37 3.54 0.01 -0.17 -5.02 113.70 110.58 2k46 s SER 147 Ca 0.14 1.33 -0.27 0.00 1.31 0.00 0.00 55.95 58.46 2k46 s SER 147 Cb -0.12 1.58 -0.11 0.00 0.21 0.00 0.00 66.02 67.58 2k46 s SER 147 CO 0.03 -0.20 1.29 1.07 0.41 0.00 0.00 173.24 175.84 2k46 n THR 148 N 4.50 2.17 -2.73 1.44 5.66 -1.26 -0.62 114.28 123.45 2k46 n THR 148 Ca -0.17 -0.50 -0.40 0.00 -3.05 0.00 0.00 64.05 59.93 2k46 n THR 148 Cb 0.56 -1.59 -0.06 0.00 -1.55 0.00 0.00 70.33 67.69 2k46 n THR 148 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2k46 s PHE 149 N -1.13 3.94 -0.33 1.09 5.36 -0.97 -4.65 117.98 121.29 2k46 s PHE 149 Ca 0.57 1.89 -0.01 0.00 -0.96 0.00 0.00 56.93 58.42 2k46 s PHE 149 Cb -0.54 -3.01 0.12 0.00 -0.34 0.00 0.00 43.02 39.24 2k46 s PHE 149 CO 0.61 0.36 0.16 0.95 -1.46 0.00 0.00 175.22 175.83 2k46 s THR 150 N -1.01 0.48 0.00 0.12 -4.23 -1.26 -4.88 115.64 104.85 2k46 s THR 150 Ca 0.42 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 2k46 s THR 150 Cb -0.26 -1.36 0.00 0.00 1.34 0.00 0.00 72.50 72.22 2k46 s THR 150 CO 0.32 -0.81 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 2k46 n GLY 151 N 4.56 0.95 3.50 3.99 0.00 -1.26 -4.80 105.19 112.13 2k46 n GLY 151 Ca 0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2k46 n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k46 s LYS 152 N 0.00 1.82 -0.21 1.61 0.00 -1.26 -3.00 119.74 118.69 2k46 s LYS 152 Ca 0.00 -1.65 -0.09 0.00 0.00 0.00 0.00 55.97 54.23 2k46 s LYS 152 Cb 0.00 0.44 -0.05 0.00 0.00 0.00 0.00 37.83 38.23 2k46 s LYS 152 CO 0.00 -0.75 0.12 -1.17 0.00 0.00 0.00 175.35 173.55 2k46 s LEU 153 N -3.19 4.00 -0.24 2.77 0.20 0.25 -4.84 118.68 117.63 2k46 s LEU 153 Ca 0.29 0.11 -0.02 0.00 0.69 0.00 0.00 54.13 55.20 2k46 s LEU 153 Cb -0.00 -2.05 0.02 0.00 -0.43 0.00 0.00 46.19 43.73 2k46 s LEU 153 CO 0.17 0.12 -0.07 -0.55 -0.29 0.00 0.00 176.35 175.73 2k46 s SER 154 N 0.73 4.24 -0.67 3.68 0.15 -1.26 -0.14 113.70 120.43 2k46 s SER 154 Ca 0.06 -0.81 -0.19 0.00 0.70 0.00 0.00 55.95 55.71 2k46 s SER 154 Cb -0.13 -1.66 0.12 0.00 -1.71 0.00 0.00 66.02 62.64 2k46 s SER 154 CO 0.02 -0.11 0.80 -0.69 1.20 0.00 0.00 173.24 174.46 2k46 s VAL 155 N 1.34 4.83 -0.11 4.45 1.01 -0.99 0.47 120.40 131.39 2k46 s VAL 155 Ca 0.01 -1.16 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 2k46 s VAL 155 Cb -0.16 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 31.63 2k46 s VAL 155 CO -0.05 -1.21 -0.02 -0.70 0.00 0.00 0.00 175.10 173.12 2k46 s GLU 156 N 2.58 3.26 0.02 2.72 2.12 -0.83 -2.31 118.70 126.26 2k46 s GLU 156 Ca 0.16 -0.47 0.04 0.00 0.36 0.00 0.00 54.97 55.07 2k46 s GLU 156 Cb -0.19 -2.83 -0.02 0.00 0.26 0.00 0.00 34.13 31.35 2k46 s GLU 156 CO 0.03 0.50 -0.13 -0.59 -0.54 0.00 0.00 175.26 174.54 2k46 s PHE 157 N -0.34 1.11 0.04 5.30 -0.12 -1.07 -1.05 117.98 121.85 2k46 s PHE 157 Ca 0.06 -0.28 0.08 0.00 -0.05 0.00 0.00 56.93 56.74 2k46 s PHE 157 Cb -0.12 -0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 41.56 2k46 s PHE 157 CO 0.02 0.00 -0.23 0.08 -0.05 0.00 0.00 175.22 175.05 2k46 s VAL 158 N -0.60 1.86 0.34 -2.49 1.01 -1.00 -2.76 120.40 116.77 2k46 s VAL 158 Ca 0.02 -1.27 -0.23 0.00 0.00 0.00 0.00 61.98 60.51 2k46 s VAL 158 Cb -0.06 -1.61 -0.10 0.00 0.00 0.00 0.00 36.38 34.61 2k46 s VAL 158 CO 0.00 0.29 0.91 -1.59 0.00 0.00 0.00 175.10 174.71 2k46 s LYS 159 N -1.17 4.41 -0.02 2.72 0.00 -1.26 -1.99 119.74 122.44 2k46 s LYS 159 Ca 0.09 1.18 0.15 0.00 0.00 0.00 0.00 55.97 57.39 2k46 s LYS 159 Cb -0.09 -2.61 -0.22 0.00 0.00 0.00 0.00 37.83 34.91 2k46 s LYS 159 CO 0.02 0.19 0.42 0.41 0.00 0.00 0.00 175.35 176.39 2k46 n GLY 160 N 0.17 -0.62 1.93 0.59 0.00 -1.26 -4.88 105.19 101.12 2k46 n GLY 160 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2k46 n GLY 160 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k46 n TYR 161 N -1.85 -2.05 -3.62 1.61 9.36 -1.26 -5.07 117.16 114.29 2k46 n TYR 161 Ca -0.01 0.36 -0.05 0.00 3.32 0.00 0.00 57.90 61.52 2k46 n TYR 161 Cb 0.36 0.54 -0.04 0.00 -0.63 0.00 0.00 39.34 39.56 2k46 n TYR 161 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 2k46 s TYR 162 N -1.84 -0.15 -0.29 2.98 5.04 -1.26 -5.09 117.35 116.73 2k46 s TYR 162 Ca 0.00 0.25 -0.00 0.00 -2.44 0.00 0.00 57.07 54.88 2k46 s TYR 162 Cb 0.00 0.48 0.00 0.00 0.35 0.00 0.00 41.96 42.79 2k46 s TYR 162 CO 0.00 -0.15 0.01 -0.25 -1.34 0.00 0.00 175.55 173.82 2k46 n ASP 163 N 0.54 -7.71 -4.34 4.32 8.00 -1.26 -4.97 116.55 111.12 2k46 n ASP 163 Ca -0.03 1.35 -0.31 0.00 0.71 0.00 0.00 54.79 56.51 2k46 n ASP 163 Cb 0.58 -5.11 0.20 0.00 -0.02 0.00 0.00 41.12 36.78 2k46 n ASP 163 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k46 n ASN 164 N 0.66 -2.17 -3.58 -2.24 3.02 -1.26 -4.57 115.26 105.12 2k46 n ASN 164 Ca 0.00 -0.14 -0.42 0.00 -0.03 0.00 0.00 54.58 54.00 2k46 n ASN 164 Cb 0.01 -1.06 -0.11 0.00 -0.61 0.00 0.00 39.78 38.00 2k46 n ASN 164 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2k46 n PRO 165 N -3.06 0.00 -0.09 3.52 -0.04 -1.26 -4.79 135.00 129.27 2k46 n PRO 165 Ca 0.01 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.38 2k46 n PRO 165 Cb 0.59 -1.23 -0.01 0.00 -0.04 0.00 0.00 33.50 32.81 2k46 n PRO 165 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2k46 h LYS 166 N 8.54 0.43 -5.88 0.54 3.64 -1.80 -3.43 116.57 118.61 2k46 h LYS 166 Ca -0.06 -0.03 -0.68 0.00 -1.27 0.00 0.00 60.65 58.60 2k46 h LYS 166 Cb 1.12 -0.09 -0.27 0.00 -0.41 0.00 0.00 32.23 32.58 2k46 h LYS 166 CO 1.01 0.31 -0.81 0.08 -2.27 0.00 0.00 179.45 177.77 2k46 s VAL 167 N -6.07 2.72 -0.01 2.00 1.01 -0.95 -4.62 120.40 114.48 2k46 s VAL 167 Ca -0.13 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2k46 s VAL 167 Cb 0.10 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.41 2k46 s VAL 167 CO 0.71 0.56 -0.02 0.00 0.00 0.00 0.00 175.10 176.35 2k46 n ALA 169 N 3.29 4.26 -1.64 0.00 0.00 -0.35 -0.32 120.51 125.74 2k46 n ALA 169 Ca -0.16 -3.46 -0.52 0.00 0.00 0.00 0.00 53.44 49.30 2k46 n ALA 169 Cb 0.57 -0.46 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 2k46 n ALA 169 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k46 n LEU 170 N -0.69 2.23 -3.62 0.00 7.94 0.65 -3.13 117.00 120.38 2k46 n LEU 170 Ca 0.32 1.09 -0.20 0.00 -1.11 0.00 0.00 56.01 56.11 2k46 n LEU 170 Cb 0.91 -1.24 -0.16 0.00 0.53 0.00 0.00 43.42 43.46 2k46 n LEU 170 CO 0.27 -0.69 -0.28 0.12 -1.11 0.00 0.00 177.39 175.70 2k46 s PHE 171 N 1.52 -0.05 -0.12 1.96 5.36 -0.69 0.00 117.98 125.96 2k46 s PHE 171 Ca 0.87 0.22 0.01 0.00 -0.96 0.00 0.00 56.93 57.07 2k46 s PHE 171 Cb -0.90 -0.44 -0.01 0.00 -0.34 0.00 0.00 43.02 41.33 2k46 s PHE 171 CO 0.49 -0.38 -0.16 -1.50 -1.46 0.00 0.00 175.22 172.21 2k46 s ILE 172 N 2.23 2.73 0.34 3.12 2.07 -0.33 -1.81 121.20 129.55 2k46 s ILE 172 Ca 0.04 -0.78 0.06 0.00 -1.41 0.00 0.00 60.65 58.56 2k46 s ILE 172 Cb -0.14 -2.12 -0.07 0.00 0.13 0.00 0.00 42.46 40.26 2k46 s ILE 172 CO -0.07 0.53 0.00 0.00 -1.91 0.00 0.00 174.94 173.50 2k46 s MET 173 N 0.38 1.74 0.22 3.50 0.23 -1.07 -2.84 119.30 121.46 2k46 s MET 173 Ca -0.13 -1.95 0.11 0.00 -1.03 0.00 0.00 55.69 52.69 2k46 s MET 173 Cb -0.16 -1.25 -0.05 0.00 -1.53 0.00 0.00 34.83 31.84 2k46 s MET 173 CO 0.06 -0.06 -0.22 -1.59 -2.03 0.00 0.00 175.02 171.17 2k46 s LYS 174 N -3.77 1.55 0.00 3.16 -2.85 -1.10 -2.51 119.74 114.22 2k46 s LYS 174 Ca 0.34 -1.59 0.00 0.00 -1.00 0.00 0.00 55.97 53.72 2k46 s LYS 174 Cb 0.08 -1.78 0.00 0.00 -2.06 0.00 0.00 37.83 34.07 2k46 s LYS 174 CO 0.16 0.37 0.00 0.41 0.10 0.00 0.00 175.35 176.38 2k46 n GLY 175 N 0.00 2.19 0.00 0.59 0.00 0.12 -4.83 105.19 103.26 2k46 n GLY 175 Ca -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2k46 n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k46 n THR 176 N 0.00 0.00 0.10 2.61 -2.24 0.01 -2.78 114.28 111.99 2k46 n THR 176 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 2k46 n THR 176 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2k46 n THR 176 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 h ALA 177 N 0.00 0.67 -0.14 6.98 0.00 -1.93 -3.34 119.26 121.51 2k46 h ALA 177 Ca 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.50 2k46 h ALA 177 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k46 h ALA 177 CO 0.00 0.53 0.10 -0.44 0.00 0.00 0.00 179.25 179.44 2k46 h ASP 178 N 0.00 0.00 -0.43 0.00 5.19 -1.99 -1.79 116.42 117.39 2k46 h ASP 178 Ca -0.06 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.30 2k46 h ASP 178 Cb 1.34 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.83 2k46 h ASP 178 CO 0.04 0.00 0.07 -0.78 -3.12 0.00 0.00 179.24 175.45 2k46 h ASP 179 N 0.00 0.69 -0.33 6.45 3.58 -1.98 -3.42 116.42 121.40 2k46 h ASP 179 Ca 0.06 -0.26 -0.52 0.00 0.42 0.00 0.00 57.03 56.73 2k46 h ASP 179 Cb 0.27 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.07 2k46 h ASP 179 CO -0.00 0.77 1.68 0.52 -2.88 0.00 0.00 179.24 179.33 2k46 n VAL 180 N -4.49 -0.01 -1.60 2.25 0.31 -0.68 -4.81 118.33 109.30 2k46 n VAL 180 Ca 0.00 -0.15 -0.45 0.00 -0.01 0.00 0.00 64.34 63.73 2k46 n VAL 180 Cb 0.24 -0.96 -0.02 0.00 -0.91 0.00 0.00 33.84 32.19 2k46 n VAL 180 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2k46 n PRO 181 N 8.49 1.44 -3.71 5.55 -0.02 -1.26 -5.00 135.00 140.49 2k46 n PRO 181 Ca 0.59 0.51 -0.12 0.00 -2.02 0.00 0.00 63.50 62.45 2k46 n PRO 181 Cb 0.12 -1.92 -0.13 0.00 -0.02 0.00 0.00 33.50 31.56 2k46 n PRO 181 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2k46 s MET 182 N -1.45 0.21 0.22 -0.52 -1.94 -1.26 -5.08 119.30 109.48 2k46 s MET 182 Ca 0.60 0.62 0.00 0.00 -1.71 0.00 0.00 55.69 55.20 2k46 s MET 182 Cb -0.70 -0.08 0.00 0.00 2.01 0.00 0.00 34.83 36.06 2k46 s MET 182 CO 0.59 -0.20 0.00 1.28 -0.01 0.00 0.00 175.02 176.68 2k46 n LEU 183 N 4.57 -5.66 -4.55 -0.03 4.77 -1.26 -4.89 117.00 109.95 2k46 n LEU 183 Ca -0.19 2.88 -0.38 0.00 -0.03 0.00 0.00 56.01 58.28 2k46 n LEU 183 Cb 0.52 -2.83 0.04 0.00 -2.33 0.00 0.00 43.42 38.82 2k46 n LEU 183 CO 0.10 -1.32 0.33 0.00 -1.33 0.00 0.00 177.39 175.17 2k46 n GLN 184 N 1.39 0.73 -2.02 3.23 6.02 -1.26 -4.86 117.38 120.62 2k46 n GLN 184 Ca 0.00 0.28 -0.42 0.00 -0.01 0.00 0.00 57.00 56.85 2k46 n GLN 184 Cb 0.00 -1.96 -0.03 0.00 1.02 0.00 0.00 30.24 29.28 2k46 n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2k46 s PRO 185 N -2.44 4.22 -0.03 -1.09 0.04 -1.26 -5.01 135.00 129.42 2k46 s PRO 185 Ca 0.72 2.21 0.01 0.00 0.04 0.00 0.00 61.00 63.99 2k46 s PRO 185 Cb -0.43 -3.65 0.01 0.00 0.04 0.00 0.00 34.50 30.47 2k46 s PRO 185 CO 0.50 -0.71 -0.05 -1.58 0.04 0.00 0.00 177.00 175.21 2k46 s HIS 186 N 2.78 0.68 0.14 0.56 2.46 -1.26 -5.05 115.29 115.60 2k46 s HIS 186 Ca 0.71 -0.16 -0.05 0.00 0.47 0.00 0.00 55.06 56.02 2k46 s HIS 186 Cb -0.37 -0.56 -0.06 0.00 -0.13 0.00 0.00 32.58 31.46 2k46 s HIS 186 CO 0.30 -0.13 1.35 -1.00 -2.47 0.00 0.00 174.74 172.79 2k46 h PRO 187 N 6.80 0.50 0.00 2.88 0.13 -2.01 -3.42 132.00 136.89 2k46 h PRO 187 Ca -0.36 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 2k46 h PRO 187 Cb 1.16 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2k46 h PRO 187 CO 0.48 1.10 0.00 0.41 -0.23 0.00 0.00 178.00 179.76 2k46 n GLY 188 N 0.76 1.19 3.57 1.56 0.00 -1.26 -4.83 105.19 106.18 2k46 n GLY 188 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 2k46 n GLY 188 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k46 s LEU 189 N 0.00 3.40 0.00 0.99 0.20 -1.26 -5.27 118.68 116.74 2k46 s LEU 189 Ca 0.00 0.91 0.27 0.00 0.69 0.00 0.00 54.13 56.00 2k46 s LEU 189 Cb 0.00 -2.95 0.84 0.00 -0.43 0.00 0.00 46.19 43.65 2k46 s LEU 189 CO 0.00 -2.19 1.63 -1.84 -0.29 0.00 0.00 176.35 173.65