#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abd h GLN 13 N 0.00 0.49 -0.10 1.61 4.20 -1.94 -1.92 115.11 117.44 3abd h GLN 13 Ca 0.00 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 3abd h GLN 13 Cb 0.00 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3abd h GLN 13 CO 0.00 0.88 0.03 -0.39 -0.67 0.00 0.00 178.83 178.68 3abd h VAL 14 N 0.39 1.18 -0.45 -0.54 -1.51 -1.99 -1.16 116.25 112.17 3abd h VAL 14 Ca 0.02 -0.56 -0.02 0.00 -1.23 0.00 0.00 66.70 64.90 3abd h VAL 14 Cb 1.01 1.36 -0.02 0.00 -2.13 0.00 0.00 31.29 31.51 3abd h VAL 14 CO 0.09 0.16 0.19 0.58 -1.23 0.00 0.00 177.57 177.37 3abd h VAL 15 N -0.03 1.20 -0.68 7.19 2.07 -1.94 -1.26 116.25 122.80 3abd h VAL 15 Ca 0.03 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3abd h VAL 15 Cb 0.23 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3abd h VAL 15 CO -0.00 0.22 0.44 0.00 0.02 0.00 0.00 177.57 178.26 3abd h ALA 16 N 1.04 1.50 -0.01 1.67 0.00 -1.22 0.31 119.26 122.56 3abd h ALA 16 Ca 0.15 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3abd h ALA 16 Cb 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3abd h ALA 16 CO -0.01 0.46 -0.25 -0.44 0.00 0.00 0.00 179.25 179.00 3abd h ASP 17 N 0.92 0.24 -0.43 0.00 3.32 -0.76 0.51 116.42 120.22 3abd h ASP 17 Ca 0.25 -0.75 0.04 0.00 0.02 0.00 0.00 57.03 56.60 3abd h ASP 17 Cb -0.10 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 3abd h ASP 17 CO -0.05 0.95 0.19 0.58 -1.72 0.00 0.00 179.24 179.19 3abd h VAL 18 N -0.45 0.92 -0.43 -1.35 2.07 -1.20 -1.71 116.25 114.10 3abd h VAL 18 Ca -0.03 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 67.22 3abd h VAL 18 Cb 0.98 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3abd h VAL 18 CO 0.05 0.07 -0.29 -0.07 0.02 0.00 0.00 177.57 177.35 3abd h LEU 19 N 0.38 0.99 -0.63 2.57 3.38 -0.81 -0.25 115.31 120.95 3abd h LEU 19 Ca 0.19 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 3abd h LEU 19 Cb 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3abd h LEU 19 CO -0.17 1.20 0.07 0.00 0.09 0.00 0.00 178.44 179.64 3abd h GLU 21 N 0.98 0.79 -0.32 0.00 4.81 -1.20 -1.40 114.58 118.23 3abd h GLU 21 Ca 0.19 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3abd h GLU 21 Cb 0.47 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3abd h GLU 21 CO 0.02 0.76 0.06 0.35 -0.73 0.00 0.00 179.01 179.47 3abd h PHE 22 N 0.68 0.56 -0.34 0.92 3.57 -0.80 -2.82 116.94 118.69 3abd h PHE 22 Ca 0.16 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.60 3abd h PHE 22 Cb 0.33 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3abd h PHE 22 CO 0.02 0.60 0.23 -0.07 -2.23 0.00 0.00 178.31 176.86 3abd h LEU 23 N 0.36 0.35 0.02 0.59 3.38 -0.69 0.86 115.31 120.17 3abd h LEU 23 Ca 0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3abd h LEU 23 Cb 0.33 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3abd h LEU 23 CO 0.00 0.25 -0.01 -0.08 0.09 0.00 0.00 178.44 178.70 3abd h GLU 24 N 0.41 -0.02 -0.54 1.13 4.81 -1.01 0.91 114.58 120.26 3abd h GLU 24 Ca 0.13 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3abd h GLU 24 Cb 0.04 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3abd h GLU 24 CO -0.03 0.37 0.33 0.28 -0.73 0.00 0.00 179.01 179.23 3abd h VAL 25 N -0.42 1.06 -0.77 0.32 2.07 -1.29 -2.32 116.25 114.90 3abd h VAL 25 Ca -0.00 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3abd h VAL 25 Cb 0.40 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3abd h VAL 25 CO 0.00 0.12 0.31 0.00 0.02 0.00 0.00 177.57 178.02 3abd h ALA 26 N 1.24 1.00 -0.16 1.67 0.00 -0.63 -1.02 119.26 121.35 3abd h ALA 26 Ca 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3abd h ALA 26 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3abd h ALA 26 CO -0.09 0.62 0.07 0.28 0.00 0.00 0.00 179.25 180.13 3abd h VAL 27 N 1.11 1.15 -0.38 0.00 2.07 -0.71 -0.25 116.25 119.24 3abd h VAL 27 Ca 0.26 -0.44 0.08 0.00 0.82 0.00 0.00 66.70 67.41 3abd h VAL 27 Cb 0.21 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 3abd h VAL 27 CO -0.02 0.14 -0.08 0.45 0.02 0.00 0.00 177.57 178.08 3abd h HIS 28 N 0.12 -0.17 -0.67 1.57 3.86 -1.20 -0.99 115.15 117.67 3abd h HIS 28 Ca 0.05 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.22 3abd h HIS 28 Cb 0.16 0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 3abd h HIS 28 CO -0.02 -0.15 0.10 1.25 0.86 0.00 0.00 177.93 179.97 3abd h LEU 29 N 0.02 1.07 -0.22 2.43 5.85 -0.84 -1.97 115.31 121.66 3abd h LEU 29 Ca 0.18 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3abd h LEU 29 Cb 0.28 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3abd h LEU 29 CO -0.38 1.07 0.13 0.40 -0.34 0.00 0.00 178.44 179.32 3abd h ILE 30 N 1.04 1.09 -0.78 4.05 2.04 -0.74 -0.14 117.51 124.07 3abd h ILE 30 Ca 0.20 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3abd h ILE 30 Cb 0.46 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 3abd h ILE 30 CO 0.02 0.08 0.51 -0.07 0.00 0.00 0.00 178.15 178.69 3abd h LEU 31 N 0.26 0.78 0.25 1.44 3.38 -0.99 0.43 115.31 120.87 3abd h LEU 31 Ca 0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3abd h LEU 31 Cb 0.02 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3abd h LEU 31 CO -0.01 0.52 -0.12 0.22 0.09 0.00 0.00 178.44 179.14 3abd h TYR 32 N 0.90 -0.31 0.00 1.13 3.20 -0.92 -0.72 116.97 120.24 3abd h TYR 32 Ca 0.32 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.14 3abd h TYR 32 Cb 0.14 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3abd h TYR 32 CO -0.00 0.06 -0.23 -0.39 -1.64 0.00 0.00 178.16 175.95 3abd h VAL 33 N -0.85 0.58 -0.48 1.81 -1.51 -0.89 -0.62 116.25 114.29 3abd h VAL 33 Ca -0.03 -1.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.31 3abd h VAL 33 Cb 0.51 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 3abd h VAL 33 CO 0.06 0.23 0.00 0.54 -1.23 0.00 0.00 177.57 177.16 3abd n ARG 34 N -3.41 2.16 -3.90 5.19 5.12 0.13 -4.85 116.66 117.10 3abd n ARG 34 Ca 0.00 -1.80 -0.27 0.00 -1.93 0.00 0.00 57.85 53.85 3abd n ARG 34 Cb 0.43 -1.40 0.01 0.00 -1.16 0.00 0.00 32.46 30.34 3abd n ARG 34 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 3abd n GLU 35 N 0.97 -4.45 0.12 5.56 2.13 -0.24 -4.82 120.64 119.91 3abd n GLU 35 Ca 0.17 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.51 3abd n GLU 35 Cb 0.43 -5.09 0.04 0.00 0.27 0.00 0.00 31.44 27.09 3abd n GLU 35 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3abd h VAL 36 N -1.88 1.14 -3.16 6.31 2.07 -1.38 -3.46 116.25 115.89 3abd h VAL 36 Ca -0.60 -2.45 -0.43 0.00 0.82 0.00 0.00 66.70 64.03 3abd h VAL 36 Cb 1.37 2.46 -0.16 0.00 -1.52 0.00 0.00 31.29 33.44 3abd h VAL 36 CO 0.64 0.62 -0.74 -0.31 0.02 0.00 0.00 177.57 177.80 3abd s TYR 37 N -3.02 1.59 0.44 1.57 2.02 -1.25 -4.85 117.35 113.85 3abd s TYR 37 Ca 0.02 -0.58 -0.26 0.00 -0.37 0.00 0.00 57.07 55.88 3abd s TYR 37 Cb 0.09 -0.77 -0.08 0.00 -0.40 0.00 0.00 41.96 40.79 3abd s TYR 37 CO 0.76 0.27 1.42 -2.14 -1.57 0.00 0.00 175.55 174.29 3abd s PRO 38 N -3.34 3.74 0.54 -1.71 0.02 -1.26 -4.87 135.00 128.12 3abd s PRO 38 Ca 0.18 2.41 0.24 0.00 0.02 0.00 0.00 61.00 63.85 3abd s PRO 38 Cb -0.02 -2.69 1.41 0.00 0.02 0.00 0.00 34.50 33.22 3abd s PRO 38 CO 0.05 -0.77 2.03 -0.39 -0.33 0.00 0.00 177.00 177.59 3abd h VAL 39 N 2.37 0.74 -0.11 3.83 -1.51 -1.96 -2.53 116.25 117.07 3abd h VAL 39 Ca -0.51 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.00 3abd h VAL 39 Cb 1.26 0.78 -0.00 0.00 -2.13 0.00 0.00 31.29 31.20 3abd h VAL 39 CO 0.61 0.00 0.14 1.23 -1.23 0.00 0.00 177.57 178.32 3abd h GLY 40 N 0.00 0.00 0.84 5.19 0.00 -2.03 -1.85 103.07 105.21 3abd h GLY 40 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3abd h GLY 40 CO -0.00 0.00 -0.24 0.29 0.00 0.00 0.00 176.54 176.59 3abd n ILE 41 N -3.72 0.00 -4.10 2.60 -5.35 -0.95 -4.88 119.36 102.95 3abd n ILE 41 Ca -0.00 -0.06 -0.35 0.00 -0.27 0.00 0.00 62.75 62.07 3abd n ILE 41 Cb 0.24 0.10 -0.07 0.00 -1.74 0.00 0.00 39.64 38.17 3abd n ILE 41 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3abd s PHE 42 N -2.67 3.37 -0.02 4.28 0.08 -0.70 0.12 117.98 122.44 3abd s PHE 42 Ca 0.22 0.32 0.07 0.00 0.12 0.00 0.00 56.93 57.66 3abd s PHE 42 Cb 0.19 -1.83 -0.02 0.00 -0.57 0.00 0.00 43.02 40.79 3abd s PHE 42 CO 0.55 0.59 -0.25 -1.14 -0.10 0.00 0.00 175.22 174.88 3abd s GLN 43 N -1.23 2.06 0.28 0.44 0.74 0.00 -4.89 119.66 117.06 3abd s GLN 43 Ca 0.17 -0.89 -0.30 0.00 0.05 0.00 0.00 55.36 54.40 3abd s GLN 43 Cb -0.12 -1.97 -0.11 0.00 1.10 0.00 0.00 33.01 31.92 3abd s GLN 43 CO 0.07 0.52 1.53 0.21 -0.55 0.00 0.00 175.29 177.06 3abd s LYS 44 N -0.54 4.18 0.30 1.67 2.20 -1.26 -1.00 119.74 125.30 3abd s LYS 44 Ca 0.08 2.47 0.05 0.00 -0.36 0.00 0.00 55.97 58.21 3abd s LYS 44 Cb -0.10 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.15 3abd s LYS 44 CO -0.00 -0.54 0.30 0.54 -0.36 0.00 0.00 175.35 175.29 3abd n ARG 45 N 2.13 0.43 -4.80 4.03 5.12 -0.31 -4.91 116.66 118.36 3abd n ARG 45 Ca 0.07 -2.85 -0.27 0.00 -1.93 0.00 0.00 57.85 52.88 3abd n ARG 45 Cb 0.39 2.43 -0.17 0.00 -1.16 0.00 0.00 32.46 33.95 3abd n ARG 45 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3abd s LYS 46 N -3.08 2.06 -0.03 5.56 2.20 -1.26 -1.00 119.74 124.18 3abd s LYS 46 Ca 0.33 -0.57 -0.03 0.00 -0.36 0.00 0.00 55.97 55.34 3abd s LYS 46 Cb 0.01 -1.66 0.01 0.00 -1.51 0.00 0.00 37.83 34.68 3abd s LYS 46 CO 0.23 0.11 0.09 0.15 -0.36 0.00 0.00 175.35 175.57 3abd s LYS 47 N 0.46 0.10 -1.39 4.03 -0.14 -0.14 -4.80 119.74 117.85 3abd s LYS 47 Ca -0.14 0.14 -0.08 0.00 -1.36 0.00 0.00 55.97 54.53 3abd s LYS 47 Cb -0.15 0.02 0.05 0.00 -1.68 0.00 0.00 37.83 36.07 3abd s LYS 47 CO 0.05 -0.03 0.58 0.66 -0.76 0.00 0.00 175.35 175.85 3abd n TYR 48 N 3.16 -1.90 -1.34 3.18 4.01 -1.26 -1.04 117.16 121.96 3abd n TYR 48 Ca -0.14 0.53 -0.12 0.00 -0.16 0.00 0.00 57.90 58.02 3abd n TYR 48 Cb 0.59 -3.53 -0.05 0.00 -0.31 0.00 0.00 39.34 36.04 3abd n TYR 48 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3abd n ASN 49 N -2.42 -5.30 -4.27 7.72 5.03 -1.26 -4.78 115.26 109.97 3abd n ASN 49 Ca -0.04 0.29 -0.20 0.00 0.87 0.00 0.00 54.58 55.50 3abd n ASN 49 Cb 0.56 -3.83 -0.11 0.00 -1.02 0.00 0.00 39.78 35.38 3abd n ASN 49 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3abd s VAL 50 N -2.13 1.53 0.23 2.41 -7.23 -0.21 -5.12 120.40 109.88 3abd s VAL 50 Ca 0.00 -1.74 -0.30 0.00 -1.81 0.00 0.00 61.98 58.13 3abd s VAL 50 Cb 0.00 -1.61 -0.10 0.00 0.56 0.00 0.00 36.38 35.23 3abd s VAL 50 CO 0.00 -0.33 1.42 -2.84 -0.31 0.00 0.00 175.10 173.04 3abd s PRO 51 N -2.57 4.29 0.36 4.82 0.02 -1.26 -0.96 135.00 139.69 3abd s PRO 51 Ca 0.10 2.25 0.04 0.00 0.02 0.00 0.00 61.00 63.41 3abd s PRO 51 Cb -0.06 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.29 3abd s PRO 51 CO 0.04 -0.40 0.16 0.14 -0.33 0.00 0.00 177.00 176.61 3abd s VAL 52 N 0.14 0.44 -0.10 3.83 -7.23 -0.17 -4.88 120.40 112.44 3abd s VAL 52 Ca 0.60 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.79 3abd s VAL 52 Cb -0.41 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.09 3abd s VAL 52 CO 0.41 0.00 -0.15 -1.10 -0.31 0.00 0.00 175.10 173.95 3abd s GLN 53 N -3.72 2.15 -0.06 4.82 -1.52 -1.26 -1.16 119.66 118.91 3abd s GLN 53 Ca 0.31 -0.55 0.05 0.00 -1.95 0.00 0.00 55.36 53.23 3abd s GLN 53 Cb 0.04 -1.80 -0.01 0.00 -0.22 0.00 0.00 33.01 31.02 3abd s GLN 53 CO 0.18 -0.02 -0.23 -1.64 -0.25 0.00 0.00 175.29 173.32 3abd s MET 54 N 0.87 2.48 0.34 2.91 -1.94 -0.17 -3.80 119.30 120.00 3abd s MET 54 Ca -0.09 -0.82 -0.29 0.00 -1.71 0.00 0.00 55.69 52.78 3abd s MET 54 Cb -0.15 -2.05 -0.11 0.00 2.01 0.00 0.00 34.83 34.53 3abd s MET 54 CO 0.01 0.30 1.44 0.45 -0.01 0.00 0.00 175.02 177.21 3abd s SER 55 N 0.02 6.49 0.00 3.03 0.15 -1.26 -0.82 113.70 121.31 3abd s SER 55 Ca -0.08 2.91 0.23 0.00 0.70 0.00 0.00 55.95 59.71 3abd s SER 55 Cb -0.14 -2.66 0.27 0.00 -1.71 0.00 0.00 66.02 61.78 3abd s SER 55 CO 0.05 -0.77 1.29 0.00 1.20 0.00 0.00 173.24 175.00 3abd s HIS 57 N -1.75 3.32 0.30 0.00 5.04 -1.26 -4.95 115.29 115.99 3abd s HIS 57 Ca 0.31 1.19 0.04 0.00 -1.54 0.00 0.00 55.06 55.05 3abd s HIS 57 Cb 0.20 -3.08 0.48 0.00 0.04 0.00 0.00 32.58 30.23 3abd s HIS 57 CO 0.30 -0.40 1.77 -1.35 -2.34 0.00 0.00 174.74 172.71 3abd h PRO 58 N 7.63 0.46 -0.19 2.88 0.11 -1.99 -1.68 132.00 139.22 3abd h PRO 58 Ca -0.23 -0.15 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 3abd h PRO 58 Cb 1.09 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3abd h PRO 58 CO 0.89 0.64 -0.11 1.49 -0.21 0.00 0.00 178.00 180.69 3abd h GLU 59 N 0.42 0.41 -0.43 1.05 4.81 -1.99 0.08 114.58 118.94 3abd h GLU 59 Ca 0.07 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3abd h GLU 59 Cb 0.58 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 3abd h GLU 59 CO 0.04 0.72 0.20 1.25 -0.73 0.00 0.00 179.01 180.49 3abd h LEU 60 N 0.10 0.27 -0.67 1.64 5.85 -1.94 -1.53 115.31 119.03 3abd h LEU 60 Ca 0.04 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 3abd h LEU 60 Cb 0.61 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3abd h LEU 60 CO 0.03 0.20 -0.11 0.78 -0.34 0.00 0.00 178.44 179.00 3abd h ASN 61 N 0.40 0.91 -0.34 1.25 2.35 -1.15 -1.52 115.58 117.47 3abd h ASN 61 Ca 0.19 -0.29 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 3abd h ASN 61 Cb 0.12 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3abd h ASN 61 CO -0.15 1.03 -0.17 -0.61 -1.65 0.00 0.00 177.43 175.88 3abd h GLN 62 N 0.82 0.81 -0.24 0.81 5.75 -0.76 -1.53 115.11 120.77 3abd h GLN 62 Ca 0.13 -0.31 0.03 0.00 -0.15 0.00 0.00 58.65 58.36 3abd h GLN 62 Cb 0.64 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 3abd h GLN 62 CO 0.04 0.93 0.04 -0.92 -2.65 0.00 0.00 178.83 176.27 3abd h TYR 63 N 0.72 0.07 -0.53 3.99 3.20 -0.32 0.66 116.97 124.75 3abd h TYR 63 Ca 0.11 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 3abd h TYR 63 Cb 0.68 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 3abd h TYR 63 CO 0.04 0.02 0.19 0.82 -1.64 0.00 0.00 178.16 177.59 3abd h ILE 64 N 0.13 1.22 -0.06 1.81 2.04 -1.20 -0.43 117.51 121.02 3abd h ILE 64 Ca 0.11 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 3abd h ILE 64 Cb 0.11 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3abd h ILE 64 CO -0.15 0.27 0.04 1.56 0.00 0.00 0.00 178.15 179.87 3abd h GLN 65 N 0.72 0.09 -0.84 2.37 4.20 -1.08 -1.55 115.11 119.02 3abd h GLN 65 Ca 0.17 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.89 3abd h GLN 65 Cb 0.23 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 3abd h GLN 65 CO -0.01 0.10 0.56 -0.44 -0.67 0.00 0.00 178.83 178.37 3abd h ASP 66 N 0.04 0.96 -0.51 1.46 3.32 -0.60 0.27 116.42 121.36 3abd h ASP 66 Ca 0.02 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3abd h ASP 66 Cb 0.04 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 3abd h ASP 66 CO -0.00 0.69 0.27 0.74 -1.72 0.00 0.00 179.24 179.22 3abd h THR 67 N 1.13 0.98 0.00 0.35 2.02 -0.77 -2.39 112.91 114.23 3abd h THR 67 Ca 0.31 -0.18 -0.17 0.00 0.77 0.00 0.00 66.41 67.14 3abd h THR 67 Cb -0.13 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 3abd h THR 67 CO -0.07 0.10 -0.80 -0.07 0.37 0.00 0.00 175.52 175.04 3abd h LEU 68 N 0.53 0.00 -1.69 2.58 3.38 -0.59 -1.64 115.31 117.88 3abd h LEU 68 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3abd h LEU 68 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3abd h LEU 68 CO -0.14 0.80 -0.12 -0.74 0.09 0.00 0.00 178.44 178.33 3abd h HIS 69 N 0.00 0.05 0.01 1.13 2.76 -0.76 -1.47 115.15 116.86 3abd h HIS 69 Ca -0.01 -0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.95 3abd h HIS 69 Cb 1.61 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 30.53 3abd h HIS 69 CO 0.00 0.16 -0.99 0.00 -1.30 0.00 0.00 177.93 175.80 3abd h VAL 71 N 0.01 1.44 -0.26 0.00 2.07 -1.01 -3.36 116.25 115.14 3abd h VAL 71 Ca -0.02 -2.09 0.06 0.00 0.82 0.00 0.00 66.70 65.48 3abd h VAL 71 Cb 1.74 2.12 -0.07 0.00 -1.52 0.00 0.00 31.29 33.56 3abd h VAL 71 CO 0.13 0.60 -0.20 0.50 0.02 0.00 0.00 177.57 178.62 3abd h LYS 72 N 0.01 -0.18 -0.04 1.57 3.64 -1.29 -1.29 116.57 119.00 3abd h LYS 72 Ca -0.01 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3abd h LYS 72 Cb 1.08 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 3abd h LYS 72 CO 0.08 -0.12 -0.19 -1.00 -2.27 0.00 0.00 179.45 175.95 3abd h PRO 73 N -0.19 0.06 -0.46 1.90 0.13 -1.76 -0.79 132.00 130.89 3abd h PRO 73 Ca 0.14 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 3abd h PRO 73 Cb 0.41 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 3abd h PRO 73 CO -0.37 0.25 0.08 -0.07 -0.23 0.00 0.00 178.00 177.66 3abd h LEU 74 N 0.06 0.72 -0.53 1.56 3.38 -1.49 -2.52 115.31 116.49 3abd h LEU 74 Ca 0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3abd h LEU 74 Cb 0.37 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3abd h LEU 74 CO 0.03 0.79 0.25 -0.07 0.09 0.00 0.00 178.44 179.52 3abd h LEU 75 N 0.62 0.69 -0.87 1.67 3.38 -0.23 0.08 115.31 120.65 3abd h LEU 75 Ca 0.14 -0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3abd h LEU 75 Cb 0.37 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 3abd h LEU 75 CO 0.01 0.63 0.49 -0.33 0.09 0.00 0.00 178.44 179.34 3abd h GLU 76 N 0.70 0.75 -0.61 1.13 5.08 -1.06 0.22 114.58 120.80 3abd h GLU 76 Ca 0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3abd h GLU 76 Cb 0.13 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3abd h GLU 76 CO -0.02 0.50 0.00 1.63 -1.00 0.00 0.00 179.01 180.12 3abd n LYS 77 N -4.76 2.53 -4.08 2.33 5.02 -0.96 -4.67 118.16 113.57 3abd n LYS 77 Ca 0.16 -1.52 -0.33 0.00 -2.02 0.00 0.00 58.31 54.60 3abd n LYS 77 Cb 0.35 -1.64 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 3abd n LYS 77 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3abd n ASN 78 N 0.45 -3.25 -1.18 4.39 5.15 0.79 -4.87 115.26 116.74 3abd n ASN 78 Ca 0.14 -0.94 0.12 0.00 -0.60 0.00 0.00 54.58 53.30 3abd n ASN 78 Cb 0.56 -3.17 0.26 0.00 -0.53 0.00 0.00 39.78 36.90 3abd n ASN 78 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3abd n ASP 79 N -2.77 3.49 -4.54 1.20 8.00 -0.05 -4.91 116.55 116.98 3abd n ASP 79 Ca -0.00 -1.98 -0.35 0.00 0.71 0.00 0.00 54.79 53.16 3abd n ASP 79 Cb 0.53 -0.33 -0.11 0.00 -0.02 0.00 0.00 41.12 41.20 3abd n ASP 79 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3abd s VAL 80 N -1.35 4.52 -0.17 2.53 1.01 -1.26 -0.59 120.40 125.10 3abd s VAL 80 Ca 0.42 -0.12 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 3abd s VAL 80 Cb 0.23 -3.07 -0.22 0.00 0.00 0.00 0.00 36.38 33.32 3abd s VAL 80 CO 0.32 0.40 0.37 -0.08 0.00 0.00 0.00 175.10 176.11 3abd h GLU 81 N 7.42 0.06 -3.69 2.72 4.81 -1.30 -3.43 114.58 121.17 3abd h GLU 81 Ca -0.37 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 58.59 3abd h GLU 81 Cb 1.17 0.04 -0.22 0.00 0.63 0.00 0.00 28.75 30.38 3abd h GLU 81 CO 0.63 1.05 -0.59 0.15 -0.73 0.00 0.00 179.01 179.53 3abd s LYS 82 N -2.38 0.36 -0.12 1.92 1.02 -1.16 -1.19 119.74 118.19 3abd s LYS 82 Ca -0.25 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 55.36 3abd s LYS 82 Cb 0.04 0.14 -0.00 0.00 -0.52 0.00 0.00 37.83 37.49 3abd s LYS 82 CO 0.65 -0.07 -0.20 0.08 -0.92 0.00 0.00 175.35 174.89 3abd s VAL 83 N -1.19 2.39 -0.10 3.17 1.01 -0.50 -0.85 120.40 124.33 3abd s VAL 83 Ca -0.13 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 60.97 3abd s VAL 83 Cb -0.07 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.37 3abd s VAL 83 CO 0.00 0.55 -0.14 -0.69 0.00 0.00 0.00 175.10 174.82 3abd s VAL 84 N 0.41 1.37 -0.32 2.92 1.01 0.86 -0.91 120.40 125.74 3abd s VAL 84 Ca -0.15 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 3abd s VAL 84 Cb -0.17 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3abd s VAL 84 CO 0.07 0.41 0.41 -0.69 0.00 0.00 0.00 175.10 175.30 3abd s VAL 85 N 0.96 5.12 -0.19 2.92 1.01 -0.07 -0.25 120.40 129.90 3abd s VAL 85 Ca -0.08 0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 3abd s VAL 85 Cb -0.15 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3abd s VAL 85 CO -0.01 -0.04 -0.03 -0.69 0.00 0.00 0.00 175.10 174.34 3abd s VAL 86 N 2.15 3.77 -0.20 2.92 1.01 -0.06 -0.68 120.40 129.32 3abd s VAL 86 Ca 0.15 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 3abd s VAL 86 Cb -0.16 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 3abd s VAL 86 CO 0.11 0.45 0.17 -0.63 0.00 0.00 0.00 175.10 175.21 3abd s ILE 87 N 0.89 5.37 -0.06 2.22 1.01 0.17 -1.49 121.20 129.32 3abd s ILE 87 Ca 0.00 0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.97 3abd s ILE 87 Cb -0.14 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 3abd s ILE 87 CO 0.02 0.41 -0.20 -0.76 0.00 0.00 0.00 174.94 174.40 3abd s LEU 88 N 0.55 2.37 0.00 2.97 1.43 -0.06 -0.56 118.68 125.39 3abd s LEU 88 Ca 0.10 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 3abd s LEU 88 Cb -0.12 -1.46 0.18 0.00 0.03 0.00 0.00 46.19 44.82 3abd s LEU 88 CO 0.01 0.28 1.07 -0.90 0.23 0.00 0.00 176.35 177.03 3abd n ASP 89 N 2.74 0.33 0.33 2.29 5.68 -0.32 -0.51 116.55 127.08 3abd n ASP 89 Ca -0.17 -1.54 0.22 0.00 -0.50 0.00 0.00 54.79 52.80 3abd n ASP 89 Cb 0.52 -0.79 1.18 0.00 -1.14 0.00 0.00 41.12 40.88 3abd n ASP 89 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3abd h LYS 90 N 0.00 0.00 -0.12 0.11 2.10 -1.79 0.41 116.57 117.28 3abd h LYS 90 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 3abd h LYS 90 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 3abd h LYS 90 CO 0.27 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.11 3abd n GLU 91 N -3.02 1.92 -1.23 0.07 4.71 -1.26 -4.92 120.64 116.91 3abd n GLU 91 Ca -0.03 -1.36 -0.04 0.00 -0.01 0.00 0.00 57.16 55.73 3abd n GLU 91 Cb 0.07 -1.45 -0.01 0.00 -1.01 0.00 0.00 31.44 29.04 3abd n GLU 91 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3abd n HIS 92 N 0.61 -0.02 -3.38 -0.32 8.25 0.13 -5.02 115.22 115.47 3abd n HIS 92 Ca 0.17 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.26 3abd n HIS 92 Cb 0.42 -1.07 -0.06 0.00 1.12 0.00 0.00 29.99 30.40 3abd n HIS 92 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3abd s ARG 93 N -2.55 4.29 0.13 -0.41 0.52 -1.26 -4.76 118.95 114.92 3abd s ARG 93 Ca 0.00 0.32 -0.32 0.00 -0.52 0.00 0.00 55.73 55.21 3abd s ARG 93 Cb 0.00 -3.45 -0.11 0.00 0.52 0.00 0.00 34.95 31.91 3abd s ARG 93 CO 0.00 0.14 1.81 -2.30 0.02 0.00 0.00 175.30 174.97 3abd n PRO 94 N 3.79 2.74 -0.02 3.54 -0.02 -1.26 -1.18 135.00 142.59 3abd n PRO 94 Ca -0.08 0.99 -0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3abd n PRO 94 Cb 0.52 -2.87 -0.05 0.00 -0.02 0.00 0.00 33.50 31.07 3abd n PRO 94 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3abd n VAL 95 N 4.51 0.23 -3.85 -1.45 0.24 0.28 -4.79 118.33 113.50 3abd n VAL 95 Ca 0.18 -0.22 -0.12 0.00 -2.04 0.00 0.00 64.34 62.14 3abd n VAL 95 Cb 0.36 -0.27 -0.12 0.00 -1.47 0.00 0.00 33.84 32.34 3abd n VAL 95 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3abd s GLU 96 N -2.31 0.23 -0.10 7.34 2.02 -1.15 -1.01 118.70 123.71 3abd s GLU 96 Ca -0.03 -0.02 -0.00 0.00 0.02 0.00 0.00 54.97 54.94 3abd s GLU 96 Cb 0.03 0.10 0.02 0.00 0.10 0.00 0.00 34.13 34.38 3abd s GLU 96 CO 0.28 -0.04 -0.07 0.15 0.02 0.00 0.00 175.26 175.60 3abd s LYS 97 N -0.37 1.40 -0.43 1.61 1.02 0.12 -0.66 119.74 122.44 3abd s LYS 97 Ca -0.04 -0.21 -0.19 0.00 0.02 0.00 0.00 55.97 55.54 3abd s LYS 97 Cb -0.03 -1.48 0.02 0.00 -0.52 0.00 0.00 37.83 35.82 3abd s LYS 97 CO 0.00 -0.25 0.55 -0.06 -0.92 0.00 0.00 175.35 174.67 3abd s PHE 98 N 1.65 3.12 -0.29 3.18 0.40 0.15 -0.76 117.98 125.44 3abd s PHE 98 Ca 0.03 -0.20 -0.08 0.00 -0.60 0.00 0.00 56.93 56.09 3abd s PHE 98 Cb -0.13 -3.13 -0.01 0.00 0.51 0.00 0.00 43.02 40.27 3abd s PHE 98 CO -0.07 -0.78 0.10 0.08 0.70 0.00 0.00 175.22 175.25 3abd s VAL 99 N 2.50 4.28 -0.47 -0.44 1.01 0.22 -0.89 120.40 126.60 3abd s VAL 99 Ca 0.18 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 3abd s VAL 99 Cb -0.15 -3.13 0.09 0.00 0.00 0.00 0.00 36.38 33.18 3abd s VAL 99 CO 0.16 0.15 0.36 -0.36 0.00 0.00 0.00 175.10 175.42 3abd s PHE 100 N 1.57 3.31 -0.07 5.22 0.40 -0.08 -1.83 117.98 126.50 3abd s PHE 100 Ca 0.04 -1.37 -0.20 0.00 -0.60 0.00 0.00 56.93 54.80 3abd s PHE 100 Cb -0.16 -3.27 -0.04 0.00 0.51 0.00 0.00 43.02 40.05 3abd s PHE 100 CO 0.04 -0.89 0.56 -1.21 0.70 0.00 0.00 175.22 174.42 3abd s GLU 101 N 1.51 4.34 -0.04 0.44 2.02 0.22 -1.41 118.70 125.77 3abd s GLU 101 Ca 0.04 0.64 0.04 0.00 0.02 0.00 0.00 54.97 55.70 3abd s GLU 101 Cb -0.25 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.57 3abd s GLU 101 CO 0.03 0.21 -0.15 0.42 0.02 0.00 0.00 175.26 175.80 3abd s ILE 102 N 0.38 1.26 -0.04 -1.63 1.01 -0.33 -1.55 121.20 120.30 3abd s ILE 102 Ca 0.30 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.35 3abd s ILE 102 Cb -0.17 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.24 3abd s ILE 102 CO 0.14 0.37 -0.02 -0.89 0.00 0.00 0.00 174.94 174.55 3abd s THR 103 N 0.15 0.31 -0.38 2.92 2.01 0.05 -4.57 115.64 116.13 3abd s THR 103 Ca -0.05 0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.86 3abd s THR 103 Cb -0.11 -0.38 0.04 0.00 0.01 0.00 0.00 72.50 72.06 3abd s THR 103 CO 0.02 0.17 0.21 -1.10 -0.69 0.00 0.00 174.62 173.23 3abd s GLN 104 N 0.99 2.74 0.73 4.92 -0.21 -1.26 0.12 119.66 127.68 3abd s GLN 104 Ca -0.10 -1.20 -0.11 0.00 0.02 0.00 0.00 55.36 53.97 3abd s GLN 104 Cb -0.14 -3.71 0.03 0.00 1.00 0.00 0.00 33.01 30.19 3abd s GLN 104 CO -0.01 -0.77 1.07 -1.25 -2.12 0.00 0.00 175.29 172.21 3abd s PRO 105 N 1.50 2.68 -1.38 2.91 0.04 -1.26 -4.98 135.00 134.52 3abd s PRO 105 Ca 0.02 0.93 -0.08 0.00 0.04 0.00 0.00 61.00 61.90 3abd s PRO 105 Cb -0.20 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 3abd s PRO 105 CO 0.05 -1.28 2.68 -0.35 0.04 0.00 0.00 177.00 178.14 3abd n PRO 106 N -3.25 3.15 0.00 0.56 -0.04 -1.26 -4.87 135.00 129.29 3abd n PRO 106 Ca 0.08 -1.94 0.12 0.00 -0.04 0.00 0.00 63.50 61.72 3abd n PRO 106 Cb 0.54 -2.68 0.15 0.00 -0.04 0.00 0.00 33.50 31.48 3abd n PRO 106 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3abd n ASP 113 N 3.78 2.07 -3.18 3.54 8.00 -1.26 -5.02 116.55 124.49 3abd n ASP 113 Ca 0.67 -1.54 -0.24 0.00 0.71 0.00 0.00 54.79 54.38 3abd n ASP 113 Cb 0.20 0.23 -0.05 0.00 -0.02 0.00 0.00 41.12 41.47 3abd n ASP 113 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3abd n SER 114 N 0.28 2.39 0.22 -2.24 2.88 -1.26 -4.94 113.62 110.94 3abd n SER 114 Ca 0.12 -3.22 0.05 0.00 -1.33 0.00 0.00 58.87 54.48 3abd n SER 114 Cb 0.47 -0.62 0.47 0.00 -0.75 0.00 0.00 64.21 63.78 3abd n SER 114 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3abd h LEU 115 N 3.53 0.00 -0.04 2.46 3.38 -2.05 -1.54 115.31 121.04 3abd h LEU 115 Ca 0.13 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3abd h LEU 115 Cb 0.75 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.51 3abd h LEU 115 CO 0.66 0.23 -0.53 -0.07 0.09 0.00 0.00 178.44 178.82 3abd h LEU 116 N 0.00 0.54 -0.94 1.67 4.07 -1.99 -0.20 115.31 118.46 3abd h LEU 116 Ca -0.00 -0.71 0.07 0.00 0.08 0.00 0.00 57.88 57.32 3abd h LEU 116 Cb 0.40 -0.16 -0.07 0.00 1.08 0.00 0.00 40.66 41.91 3abd h LEU 116 CO 0.03 1.17 0.59 -1.28 -1.08 0.00 0.00 178.44 177.87 3abd h SER 117 N -0.05 0.93 0.52 -0.43 0.87 -1.89 -0.02 113.55 113.48 3abd h SER 117 Ca -0.05 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 3abd h SER 117 Cb 1.21 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 63.00 3abd h SER 117 CO 0.11 0.57 -0.25 -0.74 -0.53 0.00 0.00 176.83 175.99 3abd h HIS 118 N 1.05 -0.65 -0.86 2.24 6.17 -1.10 -2.26 115.15 119.74 3abd h HIS 118 Ca 0.42 -0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.46 3abd h HIS 118 Cb 0.23 0.22 -0.04 0.00 2.52 0.00 0.00 27.41 30.34 3abd h HIS 118 CO -0.02 -0.38 0.43 0.28 0.71 0.00 0.00 177.93 178.96 3abd h VAL 119 N -0.76 1.26 -0.40 5.26 2.07 -0.75 -1.81 116.25 121.13 3abd h VAL 119 Ca -0.07 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 3abd h VAL 119 Cb 0.57 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3abd h VAL 119 CO 0.12 0.30 0.11 -0.33 0.02 0.00 0.00 177.57 177.79 3abd h GLU 120 N 1.21 0.58 -0.21 1.57 5.08 -0.92 0.73 114.58 122.61 3abd h GLU 120 Ca 0.30 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3abd h GLU 120 Cb 0.08 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3abd h GLU 120 CO -0.04 0.52 -0.30 1.96 -1.00 0.00 0.00 179.01 180.14 3abd h GLN 121 N 0.57 0.42 -0.27 2.33 4.20 -0.74 -0.88 115.11 120.73 3abd h GLN 121 Ca 0.13 -0.17 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 3abd h GLN 121 Cb 0.19 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3abd h GLN 121 CO -0.01 0.69 -0.37 -0.07 -0.67 0.00 0.00 178.83 178.40 3abd h LEU 122 N 0.37 0.80 -1.42 1.46 3.38 -0.67 -3.08 115.31 116.15 3abd h LEU 122 Ca 0.05 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3abd h LEU 122 Cb 0.72 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3abd h LEU 122 CO 0.06 1.15 0.37 -0.07 0.09 0.00 0.00 178.44 180.03 3abd h LEU 123 N 0.48 0.66 -1.18 1.67 3.38 -0.60 -2.26 115.31 117.46 3abd h LEU 123 Ca 0.03 -0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.20 3abd h LEU 123 Cb 0.96 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 3abd h LEU 123 CO 0.09 0.49 0.62 0.00 0.09 0.00 0.00 178.44 179.73 3abd h ALA 124 N 1.63 1.92 -0.94 1.53 0.00 -1.07 -1.12 119.26 121.21 3abd h ALA 124 Ca 0.21 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3abd h ALA 124 Cb -0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3abd h ALA 124 CO -0.04 -0.31 0.61 0.00 0.00 0.00 0.00 179.25 179.50 3abd h ALA 125 N 1.65 1.24 -0.39 0.00 0.00 -1.43 -0.70 119.26 119.62 3abd h ALA 125 Ca 0.58 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.41 3abd h ALA 125 Cb 1.16 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3abd h ALA 125 CO -0.35 0.49 0.09 0.74 0.00 0.00 0.00 179.25 180.21 3abd h PHE 126 N 1.18 0.66 -0.52 0.00 -1.00 -1.29 -1.98 116.94 114.00 3abd h PHE 126 Ca 0.37 -0.08 0.06 0.00 2.81 0.00 0.00 57.97 61.13 3abd h PHE 126 Cb -0.00 -0.19 -0.06 0.00 3.61 0.00 0.00 35.95 39.32 3abd h PHE 126 CO -0.01 0.65 0.21 0.82 -1.61 0.00 0.00 178.31 178.37 3abd h ILE 127 N 0.49 0.86 -0.78 -0.55 1.08 -1.19 -0.34 117.51 117.08 3abd h ILE 127 Ca 0.12 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.46 3abd h ILE 127 Cb 0.33 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 34.45 3abd h ILE 127 CO 0.00 0.07 0.52 -0.07 -0.69 0.00 0.00 178.15 177.98 3abd h LEU 128 N 0.41 0.89 -0.52 1.44 3.38 -0.94 -0.46 115.31 119.52 3abd h LEU 128 Ca 0.25 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 3abd h LEU 128 Cb 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3abd h LEU 128 CO -0.23 0.65 -0.36 0.11 0.09 0.00 0.00 178.44 178.70 3abd h LYS 129 N 1.05 0.81 -0.64 1.13 1.79 -0.97 -2.87 116.57 116.88 3abd h LYS 129 Ca 0.29 -0.41 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 3abd h LYS 129 Cb -0.12 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.51 3abd h LYS 129 CO -0.06 1.04 0.28 0.82 -1.08 0.00 0.00 179.45 180.45 3abd h ILE 130 N 0.67 1.23 0.00 1.86 2.04 -0.70 -2.79 117.51 119.82 3abd h ILE 130 Ca 0.06 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 3abd h ILE 130 Cb 0.92 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3abd h ILE 130 CO 0.08 0.27 -0.03 0.77 0.00 0.00 0.00 178.15 179.25 3abd h SER 131 N 0.89 0.00 -0.26 1.72 4.64 -0.87 -2.36 113.55 117.31 3abd h SER 131 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3abd h SER 131 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3abd h SER 131 CO -0.02 0.03 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 3abd n VAL 132 N -3.24 1.56 0.61 0.95 0.24 -1.13 -4.71 118.33 112.61 3abd n VAL 132 Ca -0.02 -1.42 0.12 0.00 -2.04 0.00 0.00 64.34 60.98 3abd n VAL 132 Cb 0.18 0.16 0.46 0.00 -1.47 0.00 0.00 33.84 33.16 3abd n VAL 132 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3abd h ASP 134 N 0.00 0.00 0.88 0.00 2.03 -1.84 -1.32 116.42 116.17 3abd h ASP 134 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 3abd h ASP 134 Cb 0.55 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.05 3abd h ASP 134 CO 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 179.24 178.08 3abd h ALA 135 N 2.05 1.04 -0.01 4.15 0.00 -1.69 -3.22 119.26 121.59 3abd h ALA 135 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3abd h ALA 135 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3abd h ALA 135 CO 0.00 0.16 -0.01 1.33 0.00 0.00 0.00 179.25 180.73 3abd n VAL 136 N -3.31 0.00 -4.23 0.00 0.24 -0.54 -5.00 118.33 105.50 3abd n VAL 136 Ca 0.00 -0.49 -0.29 0.00 -2.04 0.00 0.00 64.34 61.51 3abd n VAL 136 Cb 0.36 1.13 -0.10 0.00 -1.47 0.00 0.00 33.84 33.76 3abd n VAL 136 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3abd s LEU 137 N -0.61 3.04 0.68 1.34 1.43 -0.96 -5.11 118.68 118.49 3abd s LEU 137 Ca 0.07 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 3abd s LEU 137 Cb 0.05 -1.82 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 3abd s LEU 137 CO 0.09 0.16 1.06 -1.81 0.23 0.00 0.00 176.35 176.08 3abd s ASP 138 N -2.33 5.61 0.53 2.29 1.01 -1.26 -4.86 116.67 117.67 3abd s ASP 138 Ca 0.22 1.47 -0.20 0.00 0.71 0.00 0.00 52.55 54.75 3abd s ASP 138 Cb -0.11 -2.39 -0.08 0.00 1.01 0.00 0.00 42.92 41.36 3abd s ASP 138 CO 0.14 -1.27 0.81 1.41 0.21 0.00 0.00 175.17 176.47 3abd n HIS 139 N -3.01 0.35 -2.61 4.23 8.25 -1.26 -5.00 115.22 116.18 3abd n HIS 139 Ca 0.07 0.48 -0.31 0.00 -0.26 0.00 0.00 57.72 57.70 3abd n HIS 139 Cb 0.54 -2.09 -0.03 0.00 1.12 0.00 0.00 29.99 29.53 3abd n HIS 139 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3abd s ASN 140 N -1.07 6.54 0.80 0.41 0.01 -1.26 -5.02 114.94 115.35 3abd s ASN 140 Ca 0.70 1.33 -0.12 0.00 -0.71 0.00 0.00 52.86 54.06 3abd s ASN 140 Cb -0.47 -2.41 0.08 0.00 0.41 0.00 0.00 41.25 38.86 3abd s ASN 140 CO 0.53 -0.51 1.13 -2.16 -1.51 0.00 0.00 177.10 174.58 3abd s PRO 141 N -4.03 1.86 0.57 -0.60 0.04 -1.26 -4.99 135.00 126.59 3abd s PRO 141 Ca 0.55 1.42 -0.21 0.00 0.04 0.00 0.00 61.00 62.80 3abd s PRO 141 Cb -0.10 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 3abd s PRO 141 CO 0.33 -1.98 1.32 -0.35 0.04 0.00 0.00 177.00 176.35 3abd n PRO 142 N -3.53 1.51 -0.75 0.56 -0.04 -1.26 -3.97 135.00 127.53 3abd n PRO 142 Ca 0.11 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 3abd n PRO 142 Cb 0.52 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 3abd n PRO 142 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3abd n GLY 143 N 0.83 0.54 3.77 0.55 0.00 -1.26 -4.52 105.19 105.11 3abd n GLY 143 Ca 0.12 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 3abd n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abd n THR 145 N -3.40 0.00 -3.97 0.00 -2.24 0.33 -4.90 114.28 100.10 3abd n THR 145 Ca 0.09 -0.33 -0.08 0.00 -2.27 0.00 0.00 64.05 61.46 3abd n THR 145 Cb 0.53 0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.79 3abd n THR 145 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3abd s PHE 146 N -1.74 0.35 0.27 4.78 -0.71 -1.26 -0.88 117.98 118.79 3abd s PHE 146 Ca 0.03 -0.81 -0.01 0.00 -1.04 0.00 0.00 56.93 55.09 3abd s PHE 146 Cb 0.00 -0.20 -0.02 0.00 -1.21 0.00 0.00 43.02 41.58 3abd s PHE 146 CO 0.02 -0.50 0.29 -0.08 -1.34 0.00 0.00 175.22 173.61 3abd s THR 147 N -3.91 0.00 -0.07 -4.49 -1.32 -0.56 -4.96 115.64 100.34 3abd s THR 147 Ca 0.08 -1.82 0.04 0.00 -1.21 0.00 0.00 61.69 58.78 3abd s THR 147 Cb 0.06 -2.48 -0.00 0.00 -1.51 0.00 0.00 72.50 68.57 3abd s THR 147 CO -0.09 0.00 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.42 3abd s VAL 148 N -3.75 1.79 -0.03 5.08 1.01 -1.26 -0.88 120.40 122.37 3abd s VAL 148 Ca 0.35 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.49 3abd s VAL 148 Cb 0.03 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3abd s VAL 148 CO 0.17 0.50 -0.17 -0.76 0.00 0.00 0.00 175.10 174.84 3abd s LEU 149 N 0.20 2.59 -0.15 3.92 1.43 0.65 -4.96 118.68 122.36 3abd s LEU 149 Ca -0.11 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 3abd s LEU 149 Cb -0.15 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.57 3abd s LEU 149 CO 0.05 0.32 -0.21 -0.69 0.23 0.00 0.00 176.35 176.06 3abd s VAL 150 N -0.75 2.10 -0.32 -1.59 1.01 -1.26 -0.10 120.40 119.50 3abd s VAL 150 Ca 0.12 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 3abd s VAL 150 Cb -0.10 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3abd s VAL 150 CO 0.01 0.54 0.42 -1.00 0.00 0.00 0.00 175.10 175.08 3abd s HIS 151 N 0.93 3.21 0.38 5.22 3.76 -0.03 -5.00 115.29 123.77 3abd s HIS 151 Ca -0.04 0.20 0.01 0.00 -0.15 0.00 0.00 55.06 55.08 3abd s HIS 151 Cb -0.15 -2.72 -0.02 0.00 1.11 0.00 0.00 32.58 30.80 3abd s HIS 151 CO -0.04 -0.40 0.57 0.95 -0.85 0.00 0.00 174.74 174.97 3abd s THR 152 N 2.16 4.59 -0.94 1.30 -4.23 -1.26 -0.98 115.64 116.28 3abd s THR 152 Ca 0.15 -0.57 0.27 0.00 -1.18 0.00 0.00 61.69 60.36 3abd s THR 152 Cb -0.16 -3.67 0.15 0.00 1.34 0.00 0.00 72.50 70.16 3abd s THR 152 CO 0.12 -0.41 1.70 0.54 -0.54 0.00 0.00 174.62 176.02 3abd n ARG 153 N -1.85 0.05 0.00 3.99 1.74 0.25 -4.68 116.66 116.16 3abd n ARG 153 Ca -0.02 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3abd n ARG 153 Cb 0.57 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 3abd n ARG 153 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3abd n ASP 168 N -1.62 0.00 -4.19 0.55 5.75 -1.26 -5.05 116.55 110.72 3abd n ASP 168 Ca 0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.44 3abd n ASP 168 Cb 0.36 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.40 3abd n ASP 168 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3abd s PHE 169 N 0.00 3.94 0.15 2.11 5.36 -1.26 -5.08 117.98 123.20 3abd s PHE 169 Ca 0.00 -2.80 -0.27 0.00 -0.96 0.00 0.00 56.93 52.90 3abd s PHE 169 Cb 0.00 -3.46 -0.07 0.00 -0.34 0.00 0.00 43.02 39.14 3abd s PHE 169 CO 0.00 -0.83 0.84 -1.25 -1.46 0.00 0.00 175.22 172.51 3abd s PRO 170 N -1.04 4.64 0.10 10.12 0.04 -1.26 -5.06 135.00 142.54 3abd s PRO 170 Ca 0.26 1.25 0.05 0.00 0.04 0.00 0.00 61.00 62.60 3abd s PRO 170 Cb -0.10 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 3abd s PRO 170 CO -0.10 0.45 0.03 -1.58 0.04 0.00 0.00 177.00 175.84 3abd s TRP 171 N -0.78 3.04 0.08 0.56 0.52 -1.26 -5.12 118.94 115.98 3abd s TRP 171 Ca 0.39 -0.01 0.05 0.00 0.02 0.00 0.00 56.10 56.55 3abd s TRP 171 Cb -0.23 -1.54 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 3abd s TRP 171 CO 0.27 0.50 -0.12 -1.50 0.02 0.00 0.00 176.95 176.11 3abd s ILE 172 N -1.40 1.05 0.25 2.03 2.07 -1.26 -5.12 121.20 118.82 3abd s ILE 172 Ca 0.27 -1.45 -0.30 0.00 -1.41 0.00 0.00 60.65 57.76 3abd s ILE 172 Cb -0.11 -1.19 -0.11 0.00 0.13 0.00 0.00 42.46 41.18 3abd s ILE 172 CO 0.20 -0.36 1.55 -0.76 -1.91 0.00 0.00 174.94 173.65 3abd s LEU 173 N -2.04 4.37 0.50 8.50 1.43 -1.26 -4.96 118.68 125.21 3abd s LEU 173 Ca 0.01 2.79 -0.22 0.00 -1.03 0.00 0.00 54.13 55.68 3abd s LEU 173 Cb -0.07 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.47 3abd s LEU 173 CO 0.02 -0.83 1.23 0.00 0.23 0.00 0.00 176.35 177.00 3abd s ALA 174 N 0.32 2.90 0.51 4.21 0.00 -1.26 -5.04 121.76 123.39 3abd s ALA 174 Ca 0.64 1.07 0.07 0.00 0.00 0.00 0.00 51.96 53.75 3abd s ALA 174 Cb -0.45 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.26 3abd s ALA 174 CO 0.42 -0.93 0.70 0.16 0.00 0.00 0.00 175.76 176.10 3abd s ASP 175 N -1.24 5.34 0.49 0.00 -4.77 -1.26 -4.98 116.67 110.26 3abd s ASP 175 Ca 0.67 -0.50 0.15 0.00 -3.30 0.00 0.00 52.55 49.57 3abd s ASP 175 Cb -0.33 -0.34 1.15 0.00 -1.09 0.00 0.00 42.92 42.32 3abd s ASP 175 CO 0.39 -1.07 2.08 -0.08 0.70 0.00 0.00 175.17 177.19 3abd h GLU 176 N 0.34 0.01 -0.80 2.11 4.57 -1.99 -1.48 114.58 117.35 3abd h GLU 176 Ca -0.37 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.78 3abd h GLU 176 Cb 1.28 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.83 3abd h GLU 176 CO 0.44 0.08 0.39 0.37 -1.18 0.00 0.00 179.01 179.11 3abd h GLN 177 N 0.01 1.15 0.00 1.92 4.15 -1.93 0.22 115.11 120.64 3abd h GLN 177 Ca 0.00 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.18 3abd h GLN 177 Cb 0.13 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3abd h GLN 177 CO 0.01 0.88 -0.40 -0.44 -1.93 0.00 0.00 178.83 176.96 3abd h ASP 178 N 1.14 0.00 0.00 -0.69 3.32 -1.56 -3.37 116.42 115.26 3abd h ASP 178 Ca 0.28 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 57.02 3abd h ASP 178 Cb 0.11 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 3abd h ASP 178 CO -0.04 0.40 -2.16 0.52 -1.72 0.00 0.00 179.24 176.24 3abd n VAL 179 N -3.33 1.16 -2.21 -1.35 0.31 -1.00 -4.73 118.33 107.18 3abd n VAL 179 Ca 0.01 -0.42 -0.42 0.00 -0.01 0.00 0.00 64.34 63.50 3abd n VAL 179 Cb 0.61 -1.29 -0.03 0.00 -0.91 0.00 0.00 33.84 32.21 3abd n VAL 179 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3abd s HIS 180 N -2.40 3.27 -0.13 3.52 5.65 0.76 -4.96 115.29 120.98 3abd s HIS 180 Ca -0.28 1.01 -0.00 0.00 0.25 0.00 0.00 55.06 56.04 3abd s HIS 180 Cb 0.08 -3.64 0.03 0.00 -1.18 0.00 0.00 32.58 27.87 3abd s HIS 180 CO 0.45 -2.20 -0.07 1.41 -0.65 0.00 0.00 174.74 173.68 3abd s MET 181 N 1.13 1.53 0.06 2.88 1.75 -1.26 -4.54 119.30 120.84 3abd s MET 181 Ca 0.64 -0.36 -0.31 0.00 -1.25 0.00 0.00 55.69 54.41 3abd s MET 181 Cb -0.35 -1.76 -0.06 0.00 2.84 0.00 0.00 34.83 35.50 3abd s MET 181 CO 0.30 -0.32 1.25 -1.58 -0.65 0.00 0.00 175.02 174.01 3abd s HIS 182 N 1.67 3.35 -0.99 4.11 2.46 -1.26 -4.13 115.29 120.50 3abd s HIS 182 Ca 0.03 1.20 -0.06 0.00 0.47 0.00 0.00 55.06 56.71 3abd s HIS 182 Cb -0.13 -3.48 -0.05 0.00 -0.13 0.00 0.00 32.58 28.78 3abd s HIS 182 CO -0.08 -1.56 0.87 -3.47 -2.47 0.00 0.00 174.74 168.03 3abd n ASP 183 N 4.10 -6.77 -4.76 9.88 2.03 -1.26 -4.10 116.55 115.67 3abd n ASP 183 Ca 0.10 -0.61 -0.39 0.00 0.52 0.00 0.00 54.79 54.40 3abd n ASP 183 Cb 0.45 -5.08 -0.04 0.00 -0.72 0.00 0.00 41.12 35.73 3abd n ASP 183 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3abd s PRO 184 N -4.24 4.55 -0.18 -0.67 0.04 -1.26 -0.98 135.00 132.25 3abd s PRO 184 Ca 0.37 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 63.09 3abd s PRO 184 Cb -0.06 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.41 3abd s PRO 184 CO 0.75 0.15 -0.03 0.50 0.04 0.00 0.00 177.00 178.42 3abd s ARG 185 N -1.65 3.57 -0.19 4.56 3.52 0.05 -4.89 118.95 123.92 3abd s ARG 185 Ca 0.47 -0.55 -0.17 0.00 -0.13 0.00 0.00 55.73 55.35 3abd s ARG 185 Cb -0.30 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 3abd s ARG 185 CO 0.38 0.06 0.43 -1.17 -0.81 0.00 0.00 175.30 174.19 3abd s LEU 186 N 0.84 4.16 -0.29 -0.88 0.20 -1.26 -1.05 118.68 120.40 3abd s LEU 186 Ca -0.01 0.58 0.03 0.00 0.69 0.00 0.00 54.13 55.42 3abd s LEU 186 Cb -0.14 -2.58 0.07 0.00 -0.43 0.00 0.00 46.19 43.11 3abd s LEU 186 CO 0.02 -0.10 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.31 3abd s ILE 187 N 1.34 2.07 0.27 6.68 1.01 0.26 -5.00 121.20 127.83 3abd s ILE 187 Ca 0.21 -1.81 -0.30 0.00 0.00 0.00 0.00 60.65 58.75 3abd s ILE 187 Cb -0.15 -2.33 -0.10 0.00 0.01 0.00 0.00 42.46 39.89 3abd s ILE 187 CO 0.09 -0.25 1.43 -2.84 0.00 0.00 0.00 174.94 173.36 3abd s PRO 188 N 1.09 4.26 -0.09 2.79 0.02 -1.26 -0.91 135.00 140.90 3abd s PRO 188 Ca -0.01 2.32 -0.06 0.00 0.02 0.00 0.00 61.00 63.27 3abd s PRO 188 Cb -0.19 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 3abd s PRO 188 CO -0.07 -0.41 -0.14 1.28 -0.33 0.00 0.00 177.00 177.33 3abd n LEU 189 N 2.05 0.90 -3.55 -5.54 4.77 -0.14 -4.89 117.00 110.61 3abd n LEU 189 Ca 0.06 0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 3abd n LEU 189 Cb 0.40 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 3abd n LEU 189 CO 0.61 0.09 0.61 -0.75 -1.33 0.00 0.00 177.39 176.62 3abd s LYS 190 N -2.23 0.82 -0.01 3.23 2.47 -0.72 -4.93 119.74 118.37 3abd s LYS 190 Ca -0.15 0.20 0.04 0.00 -1.56 0.00 0.00 55.97 54.50 3abd s LYS 190 Cb 0.05 0.39 -0.01 0.00 -1.46 0.00 0.00 37.83 36.80 3abd s LYS 190 CO 0.19 -0.26 -0.12 0.99 0.16 0.00 0.00 175.35 176.31 3abd s THR 191 N -1.15 0.98 0.14 3.43 2.01 -1.26 -0.17 115.64 119.63 3abd s THR 191 Ca -0.06 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 61.47 3abd s THR 191 Cb -0.00 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 3abd s THR 191 CO 0.06 0.28 -0.14 0.00 -0.69 0.00 0.00 174.62 174.12 3abd s MET 192 N -0.25 1.10 -0.02 4.92 0.23 0.54 -5.00 119.30 120.83 3abd s MET 192 Ca 0.04 -1.33 0.03 0.00 -1.03 0.00 0.00 55.69 53.40 3abd s MET 192 Cb -0.05 -0.96 -0.00 0.00 -1.53 0.00 0.00 34.83 32.28 3abd s MET 192 CO -0.00 0.18 -0.12 0.99 -2.03 0.00 0.00 175.02 174.04 3abd s THR 193 N -2.38 0.96 0.29 3.16 2.01 -1.26 -1.82 115.64 116.60 3abd s THR 193 Ca 0.13 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 3abd s THR 193 Cb -0.04 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.64 3abd s THR 193 CO 0.04 0.28 0.39 -0.94 -0.69 0.00 0.00 174.62 173.70 3abd s SER 194 N -0.08 0.58 0.55 3.53 1.04 -0.32 -4.98 113.70 114.04 3abd s SER 194 Ca 0.01 -1.35 0.32 0.00 0.48 0.00 0.00 55.95 55.41 3abd s SER 194 Cb -0.07 0.58 1.58 0.00 0.10 0.00 0.00 66.02 68.22 3abd s SER 194 CO 0.00 -1.15 2.09 0.44 0.98 0.00 0.00 173.24 175.60 3abd h ASP 195 N 2.25 0.00 -0.00 7.02 3.32 -1.99 -3.24 116.42 123.77 3abd h ASP 195 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3abd h ASP 195 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3abd h ASP 195 CO 0.40 0.07 -0.01 2.30 -1.72 0.00 0.00 179.24 180.28 3abd n ILE 196 N -3.35 0.00 -3.66 0.35 -5.35 -1.26 -4.66 119.36 101.43 3abd n ILE 196 Ca -0.01 -0.49 -0.07 0.00 -0.27 0.00 0.00 62.75 61.91 3abd n ILE 196 Cb 0.24 1.00 -0.08 0.00 -1.74 0.00 0.00 39.64 39.07 3abd n ILE 196 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3abd s LEU 197 N -1.51 -0.74 -0.05 7.28 2.96 -1.22 -4.07 118.68 121.33 3abd s LEU 197 Ca 0.00 1.29 0.04 0.00 -0.22 0.00 0.00 54.13 55.24 3abd s LEU 197 Cb 0.00 1.94 -0.02 0.00 0.50 0.00 0.00 46.19 48.61 3abd s LEU 197 CO 0.01 -0.22 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.13 3abd s LYS 198 N 2.03 2.55 -0.14 1.98 1.02 0.12 -1.17 119.74 126.12 3abd s LYS 198 Ca -0.08 -0.72 -0.13 0.00 0.02 0.00 0.00 55.97 55.06 3abd s LYS 198 Cb -0.09 -2.37 0.04 0.00 -0.52 0.00 0.00 37.83 34.89 3abd s LYS 198 CO -0.17 0.58 0.38 1.41 -0.92 0.00 0.00 175.35 176.63 3abd s MET 199 N -0.62 0.44 -0.06 1.68 1.75 -0.75 -0.77 119.30 120.97 3abd s MET 199 Ca 0.09 0.52 0.04 0.00 -1.25 0.00 0.00 55.69 55.09 3abd s MET 199 Cb -0.11 0.21 0.00 0.00 2.84 0.00 0.00 34.83 37.78 3abd s MET 199 CO 0.01 -0.05 -0.17 -1.14 -0.65 0.00 0.00 175.02 173.02 3abd s GLN 200 N 0.20 2.02 -0.16 4.11 0.74 -0.59 -0.34 119.66 125.63 3abd s GLN 200 Ca -0.00 -0.60 -0.00 0.00 0.05 0.00 0.00 55.36 54.81 3abd s GLN 200 Cb -0.03 -1.66 -0.00 0.00 1.10 0.00 0.00 33.01 32.42 3abd s GLN 200 CO 0.01 0.16 -0.14 -1.17 -0.55 0.00 0.00 175.29 173.59 3abd s LEU 201 N 0.31 2.51 0.07 3.68 2.96 0.76 -0.61 118.68 128.36 3abd s LEU 201 Ca -0.10 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.34 3abd s LEU 201 Cb -0.14 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3abd s LEU 201 CO 0.04 0.07 -0.04 -0.72 -1.32 0.00 0.00 176.35 174.38 3abd s TYR 202 N 0.91 0.67 -0.10 5.38 1.13 -0.76 -0.96 117.35 123.61 3abd s TYR 202 Ca -0.03 -0.99 -0.01 0.00 -1.41 0.00 0.00 57.07 54.63 3abd s TYR 202 Cb -0.15 -0.44 -0.03 0.00 -1.10 0.00 0.00 41.96 40.25 3abd s TYR 202 CO -0.01 -0.28 -0.07 0.08 -2.51 0.00 0.00 175.55 172.76 3abd s VAL 203 N -3.72 3.70 -0.22 -3.49 1.01 -0.09 -0.61 120.40 116.98 3abd s VAL 203 Ca 0.08 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 3abd s VAL 203 Cb 0.06 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3abd s VAL 203 CO -0.08 0.56 0.08 -1.61 0.00 0.00 0.00 175.10 174.06 3abd s GLU 204 N -0.38 3.87 -0.13 2.72 2.02 0.06 -0.57 118.70 126.30 3abd s GLU 204 Ca 0.06 -0.38 -0.01 0.00 0.02 0.00 0.00 54.97 54.66 3abd s GLU 204 Cb -0.12 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.78 3abd s GLU 204 CO 0.02 0.07 -0.11 -2.00 0.02 0.00 0.00 175.26 173.26 3abd s GLU 205 N 0.95 3.43 0.15 1.61 2.12 -0.22 -0.70 118.70 126.04 3abd s GLU 205 Ca 0.04 -0.65 -0.33 0.00 0.36 0.00 0.00 54.97 54.40 3abd s GLU 205 Cb -0.14 -2.69 -0.13 0.00 0.26 0.00 0.00 34.13 31.44 3abd s GLU 205 CO 0.03 0.23 1.67 -2.13 -0.54 0.00 0.00 175.26 174.52 3abd n ARG 206 N 3.49 2.41 0.08 4.30 0.63 -0.18 -0.77 116.66 126.63 3abd n ARG 206 Ca -0.18 0.87 -0.02 0.00 -0.92 0.00 0.00 57.85 57.60 3abd n ARG 206 Cb 0.53 -2.68 0.21 0.00 0.45 0.00 0.00 32.46 30.97 3abd n ARG 206 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3abd h ALA 207 N 6.71 1.09 -3.33 5.13 0.00 -1.21 -3.36 119.26 124.29 3abd h ALA 207 Ca -0.45 -0.41 -0.64 0.00 0.00 0.00 0.00 54.91 53.41 3abd h ALA 207 Cb 1.24 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.52 3abd h ALA 207 CO 0.92 0.59 -0.61 -1.58 0.00 0.00 0.00 179.25 178.57 3abd s HIS 208 N -4.16 3.24 0.27 0.00 5.65 -1.26 -4.93 115.29 114.09 3abd s HIS 208 Ca -0.05 -3.18 0.09 0.00 0.25 0.00 0.00 55.06 52.17 3abd s HIS 208 Cb 0.13 -2.82 0.34 0.00 -1.18 0.00 0.00 32.58 29.05 3abd s HIS 208 CO 0.78 -0.72 1.60 0.87 -0.65 0.00 0.00 174.74 176.62 3abd h LYS 209 N 6.37 0.04 0.00 2.88 1.57 -1.96 -3.47 116.57 122.00 3abd h LYS 209 Ca -0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3abd h LYS 209 Cb 0.87 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3abd h LYS 209 CO 0.70 0.64 0.00 0.41 -0.57 0.00 0.00 179.45 180.63 3abd n GLY 210 N 0.25 1.54 0.00 3.86 0.00 -1.26 -4.95 105.19 104.62 3abd n GLY 210 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3abd n GLY 210 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18