#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n94 n LEU 56 N 0.00 0.00 -4.15 4.37 4.32 -1.26 -5.11 117.00 115.17 1n94 n LEU 56 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.87 1n94 n LEU 56 Cb 0.00 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 1n94 n LEU 56 CO 0.00 -0.40 -0.09 -0.44 -1.22 0.00 0.00 177.39 175.25 1n94 s SER 57 N -1.93 0.32 0.14 -1.43 0.01 -1.26 -5.05 113.70 104.50 1n94 s SER 57 Ca 0.00 -1.32 0.24 0.00 1.31 0.00 0.00 55.95 56.18 1n94 s SER 57 Cb 0.00 0.48 0.34 0.00 0.21 0.00 0.00 66.02 67.04 1n94 s SER 57 CO 0.00 -0.98 1.32 0.25 0.41 0.00 0.00 173.24 174.24 1n94 h LEU 58 N 2.43 0.00 0.00 2.44 5.85 -1.99 -3.32 115.31 120.73 1n94 h LEU 58 Ca -0.32 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1n94 h LEU 58 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1n94 h LEU 58 CO 0.46 0.09 -1.69 -0.90 -0.34 0.00 0.00 178.44 176.06 1n94 n ASP 59 N -2.19 0.41 -4.78 1.25 5.75 -1.26 -4.95 116.55 110.78 1n94 n ASP 59 Ca 0.03 -0.27 -0.41 0.00 -0.01 0.00 0.00 54.79 54.13 1n94 n ASP 59 Cb 0.45 1.70 -0.00 0.00 -1.03 0.00 0.00 41.12 42.24 1n94 n ASP 59 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1n94 s SER 60 N -4.01 6.31 0.26 -1.12 1.04 -1.25 -4.88 113.70 110.05 1n94 s SER 60 Ca -0.03 3.04 -0.05 0.00 0.48 0.00 0.00 55.95 59.39 1n94 s SER 60 Cb 0.14 -2.67 0.32 0.00 0.10 0.00 0.00 66.02 63.91 1n94 s SER 60 CO 0.86 -0.90 1.91 1.55 0.98 0.00 0.00 173.24 177.65 1n94 h PRO 61 N 2.95 1.26 -0.03 4.02 0.13 -1.93 -1.87 132.00 136.54 1n94 h PRO 61 Ca -0.51 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1n94 h PRO 61 Cb 1.24 -0.28 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1n94 h PRO 61 CO 0.64 0.83 0.00 -2.37 -0.23 0.00 0.00 178.00 176.87 1n94 n THR 62 N -4.43 0.00 -2.34 1.56 5.66 -1.26 -4.82 114.28 108.65 1n94 n THR 62 Ca 0.13 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.73 1n94 n THR 62 Cb 0.08 -0.22 -0.03 0.00 -1.55 0.00 0.00 70.33 68.60 1n94 n THR 62 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1n94 s TYR 63 N -1.95 3.38 0.04 1.09 5.04 -0.70 -5.04 117.35 119.21 1n94 s TYR 63 Ca 0.00 1.49 0.06 0.00 -2.44 0.00 0.00 57.07 56.19 1n94 s TYR 63 Cb 0.00 -3.45 -0.02 0.00 0.35 0.00 0.00 41.96 38.84 1n94 s TYR 63 CO 0.00 -1.19 -0.19 0.08 -1.34 0.00 0.00 175.55 172.91 1n94 s VAL 64 N -0.63 1.50 1.22 3.14 1.01 -1.26 -5.07 120.40 120.31 1n94 s VAL 64 Ca 0.50 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 1n94 s VAL 64 Cb -0.34 -1.31 0.25 0.00 0.00 0.00 0.00 36.38 34.98 1n94 s VAL 64 CO 0.42 0.17 0.56 0.18 0.00 0.00 0.00 175.10 176.43 1n94 n LEU 65 N 1.94 -1.39 0.00 3.92 4.77 -1.26 -4.94 117.00 120.05 1n94 n LEU 65 Ca -0.17 -0.44 -0.09 0.00 -0.03 0.00 0.00 56.01 55.28 1n94 n LEU 65 Cb 0.54 -0.98 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 1n94 n LEU 65 CO 0.23 -3.66 -0.36 1.88 -1.33 0.00 0.00 177.39 174.15 1n94 h TYR 66 N -2.87 0.04 -0.85 -1.77 -1.99 -1.95 -3.32 116.97 104.26 1n94 h TYR 66 Ca -0.44 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.25 1n94 h TYR 66 Cb 1.19 -0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.88 1n94 h TYR 66 CO -1.89 1.04 0.49 0.07 -0.00 0.00 0.00 178.16 177.87 1n94 h ARG 67 N 0.01 1.17 -0.65 4.88 0.11 -1.92 -0.73 114.38 117.24 1n94 h ARG 67 Ca -0.22 -0.12 0.00 0.00 0.10 0.00 0.00 59.98 59.74 1n94 h ARG 67 Cb 1.95 -0.24 0.00 0.00 1.11 0.00 0.00 29.97 32.80 1n94 h ARG 67 CO 0.10 0.83 0.00 -0.25 0.10 0.00 0.00 179.97 180.75 1n94 n ASP 68 N -4.35 0.65 -4.48 0.08 9.92 -1.25 -4.80 116.55 112.32 1n94 n ASP 68 Ca 0.09 -1.51 -0.28 0.00 -0.53 0.00 0.00 54.79 52.55 1n94 n ASP 68 Cb 0.08 -0.33 -0.11 0.00 -0.64 0.00 0.00 41.12 40.12 1n94 n ASP 68 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1n94 s ARG 69 N -1.14 1.74 -0.05 -1.24 0.52 -0.28 -4.91 118.95 113.60 1n94 s ARG 69 Ca 0.00 -1.29 -0.02 0.00 -0.52 0.00 0.00 55.73 53.90 1n94 s ARG 69 Cb 0.00 -2.04 -0.01 0.00 0.52 0.00 0.00 34.95 33.42 1n94 s ARG 69 CO 0.00 0.45 0.12 0.00 0.02 0.00 0.00 175.30 175.89 1n94 h ALA 70 N 3.47 -0.11 0.00 2.13 0.00 -1.87 -3.19 119.26 119.68 1n94 h ALA 70 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1n94 h ALA 70 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1n94 h ALA 70 CO 0.47 -0.11 0.34 -0.85 0.00 0.00 0.00 179.25 179.11 1n94 n GLU 71 N -3.66 0.00 -1.31 0.00 0.00 -1.26 0.08 120.64 114.49 1n94 n GLU 71 Ca -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 57.16 57.26 1n94 n GLU 71 Cb 0.03 -1.84 0.11 0.00 0.00 0.00 0.00 31.44 29.74 1n94 n GLU 71 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1n94 n TRP 72 N -1.11 0.76 0.72 -1.84 7.02 -1.23 -4.75 117.44 117.01 1n94 n TRP 72 Ca 0.00 -1.53 0.08 0.00 -1.02 0.00 0.00 57.50 55.02 1n94 n TRP 72 Cb 0.34 -0.25 -0.01 0.00 -2.42 0.00 0.00 31.31 28.97 1n94 n TRP 72 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1n94 n ALA 73 N -0.66 3.25 -0.58 6.99 0.00 0.11 -4.32 120.51 125.30 1n94 n ALA 73 Ca 0.21 -0.53 -0.06 0.00 0.00 0.00 0.00 53.44 53.06 1n94 n ALA 73 Cb 0.85 -0.57 0.23 0.00 0.00 0.00 0.00 19.45 19.96 1n94 n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1n94 n ASP 74 N -0.22 4.14 -3.75 0.00 5.75 -1.26 -4.87 116.55 116.34 1n94 n ASP 74 Ca 0.06 -2.97 -0.13 0.00 -0.01 0.00 0.00 54.79 51.74 1n94 n ASP 74 Cb 0.33 -0.70 -0.09 0.00 -1.03 0.00 0.00 41.12 39.63 1n94 n ASP 74 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1n94 s ILE 75 N -2.44 0.04 -0.16 2.12 1.10 -1.26 -5.16 121.20 115.44 1n94 s ILE 75 Ca 0.43 -0.34 -0.04 0.00 -0.51 0.00 0.00 60.65 60.19 1n94 s ILE 75 Cb 0.34 -0.59 -0.03 0.00 0.15 0.00 0.00 42.46 42.34 1n94 s ILE 75 CO 0.10 -0.19 -0.02 -1.81 -2.11 0.00 0.00 174.94 170.92 1n94 s ASP 76 N -0.92 4.93 0.88 4.50 1.01 -1.26 -5.08 116.67 120.73 1n94 s ASP 76 Ca -0.10 -0.10 -0.12 0.00 0.71 0.00 0.00 52.55 52.94 1n94 s ASP 76 Cb -0.04 -1.81 0.10 0.00 1.01 0.00 0.00 42.92 42.17 1n94 s ASP 76 CO 0.03 0.17 0.99 -0.81 0.21 0.00 0.00 175.17 175.76 1n94 n PRO 77 N 3.56 -0.19 -3.85 8.23 -0.04 -1.26 -4.73 135.00 136.71 1n94 n PRO 77 Ca -0.17 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.01 1n94 n PRO 77 Cb 0.52 -2.26 -0.13 0.00 -0.04 0.00 0.00 33.50 31.59 1n94 n PRO 77 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1n94 s VAL 78 N -2.39 2.42 -0.15 0.52 1.01 0.13 -4.91 120.40 117.02 1n94 s VAL 78 Ca 0.67 -3.65 -0.40 0.00 0.00 0.00 0.00 61.98 58.60 1n94 s VAL 78 Cb -0.25 -2.63 -0.17 0.00 0.00 0.00 0.00 36.38 33.33 1n94 s VAL 78 CO 0.58 -0.95 1.48 -0.81 0.00 0.00 0.00 175.10 175.40 1n94 n PRO 79 N 2.58 0.76 -1.71 2.72 -0.04 -1.26 -4.70 135.00 133.34 1n94 n PRO 79 Ca 0.15 0.28 -0.43 0.00 -0.04 0.00 0.00 63.50 63.46 1n94 n PRO 79 Cb 0.35 -1.88 -0.03 0.00 -0.04 0.00 0.00 33.50 31.90 1n94 n PRO 79 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1n94 s GLN 80 N 1.89 3.62 -0.49 0.54 0.74 -1.26 -4.92 119.66 119.78 1n94 s GLN 80 Ca 0.94 2.19 -0.29 0.00 0.05 0.00 0.00 55.36 58.25 1n94 s GLN 80 Cb -1.14 -4.24 0.03 0.00 1.10 0.00 0.00 33.01 28.75 1n94 s GLN 80 CO 0.61 -1.54 1.18 1.21 -0.55 0.00 0.00 175.29 176.19 1n94 s ASN 81 N 6.19 6.57 -0.16 6.67 2.47 -1.26 -4.85 114.94 130.57 1n94 s ASN 81 Ca 0.91 0.46 0.17 0.00 0.42 0.00 0.00 52.86 54.82 1n94 s ASN 81 Cb -0.35 -2.55 0.77 0.00 -1.45 0.00 0.00 41.25 37.66 1n94 s ASN 81 CO 0.37 -1.31 1.68 0.47 -3.72 0.00 0.00 177.10 174.59 1n94 n ASP 82 N 8.04 5.16 -0.10 -4.21 8.00 -1.26 -5.06 116.55 127.11 1n94 n ASP 82 Ca 0.12 -2.64 0.01 0.00 0.71 0.00 0.00 54.79 53.00 1n94 n ASP 82 Cb 0.49 -0.62 -0.01 0.00 -0.02 0.00 0.00 41.12 40.96 1n94 n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n94 n GLY 83 N 0.94 -2.25 0.27 0.44 0.00 -1.26 -3.85 105.19 99.48 1n94 n GLY 83 Ca 0.27 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1n94 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n94 h PRO 84 N -0.10 0.63 -3.14 1.61 0.13 -2.03 -3.31 132.00 125.79 1n94 h PRO 84 Ca -0.01 -0.04 -0.62 0.00 -0.87 0.00 0.00 66.00 64.46 1n94 h PRO 84 Cb 0.10 -0.14 -0.42 0.00 0.13 0.00 0.00 31.00 30.67 1n94 h PRO 84 CO 0.00 0.42 -0.60 0.45 -0.23 0.00 0.00 178.00 178.04 1n94 s SER 85 N -5.55 4.57 0.71 1.44 0.15 -1.26 -5.10 113.70 108.65 1n94 s SER 85 Ca -0.13 -3.58 -0.16 0.00 0.70 0.00 0.00 55.95 52.78 1n94 s SER 85 Cb 0.17 -1.59 -0.02 0.00 -1.71 0.00 0.00 66.02 62.87 1n94 s SER 85 CO 0.76 -0.13 0.78 -2.65 1.20 0.00 0.00 173.24 173.20 1n94 n PRO 86 N 2.34 0.45 -4.18 5.44 -0.02 -1.25 -5.07 135.00 132.71 1n94 n PRO 86 Ca 0.16 0.20 -0.14 0.00 -2.02 0.00 0.00 63.50 61.69 1n94 n PRO 86 Cb 0.35 -2.04 -0.11 0.00 -0.02 0.00 0.00 33.50 31.68 1n94 n PRO 86 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1n94 s VAL 87 N -1.83 0.95 -0.45 -1.45 1.01 -1.26 -4.86 120.40 112.50 1n94 s VAL 87 Ca 0.70 -1.67 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1n94 s VAL 87 Cb -0.36 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1n94 s VAL 87 CO 0.53 -0.57 0.27 1.33 0.00 0.00 0.00 175.10 176.66 1n94 n VAL 88 N 0.51 -1.15 -3.86 2.92 0.24 -1.26 -4.84 118.33 110.89 1n94 n VAL 88 Ca -0.16 -0.17 -0.33 0.00 -2.04 0.00 0.00 64.34 61.64 1n94 n VAL 88 Cb 0.58 -0.99 -0.05 0.00 -1.47 0.00 0.00 33.84 31.91 1n94 n VAL 88 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1n94 s GLN 89 N -5.18 3.48 -0.02 7.34 0.74 -1.26 -5.10 119.66 119.66 1n94 s GLN 89 Ca 0.14 -0.26 0.02 0.00 0.05 0.00 0.00 55.36 55.32 1n94 s GLN 89 Cb -0.08 -3.07 -0.03 0.00 1.10 0.00 0.00 33.01 30.92 1n94 s GLN 89 CO 0.39 0.65 -0.05 0.42 -0.55 0.00 0.00 175.29 176.16 1n94 s ILE 90 N -1.35 3.79 -1.19 -2.34 1.01 -1.26 -5.02 121.20 114.84 1n94 s ILE 90 Ca 0.29 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 1n94 s ILE 90 Cb -0.13 -2.63 0.21 0.00 0.01 0.00 0.00 42.46 39.92 1n94 s ILE 90 CO 0.19 0.45 1.44 -0.38 0.00 0.00 0.00 174.94 176.65 1n94 n ILE 91 N 1.72 4.46 -1.70 2.92 2.08 -1.26 -4.99 119.36 122.59 1n94 n ILE 91 Ca -0.16 -4.96 -0.44 0.00 0.56 0.00 0.00 62.75 57.76 1n94 n ILE 91 Cb 0.53 -2.44 -0.02 0.00 -0.75 0.00 0.00 39.64 36.96 1n94 n ILE 91 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1n94 n TYR 92 N 4.14 2.41 -0.58 1.39 4.01 -1.26 -4.95 117.16 122.31 1n94 n TYR 92 Ca 0.33 0.37 -0.30 0.00 -0.16 0.00 0.00 57.90 58.14 1n94 n TYR 92 Cb 0.40 -2.51 0.21 0.00 -0.31 0.00 0.00 39.34 37.13 1n94 n TYR 92 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1n94 n SER 93 N 2.19 -0.98 0.04 7.72 3.41 -1.26 -4.58 113.62 120.16 1n94 n SER 93 Ca 0.11 0.10 -0.11 0.00 -0.26 0.00 0.00 58.87 58.70 1n94 n SER 93 Cb 0.33 -1.33 -0.06 0.00 -0.26 0.00 0.00 64.21 62.90 1n94 n SER 93 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1n94 h GLU 94 N -2.29 -0.07 -0.18 4.33 4.39 -1.99 -1.11 114.58 117.66 1n94 h GLU 94 Ca -0.53 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.21 1n94 h GLU 94 Cb 1.31 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.94 1n94 h GLU 94 CO 0.44 -0.05 -0.04 -0.22 -1.16 0.00 0.00 179.01 177.99 1n94 h LYS 95 N -0.07 0.01 0.75 2.33 3.64 -1.99 -1.08 116.57 120.15 1n94 h LYS 95 Ca 0.02 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1n94 h LYS 95 Cb 0.10 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1n94 h LYS 95 CO -0.05 0.01 -0.36 0.35 -2.27 0.00 0.00 179.45 177.13 1n94 h PHE 96 N 0.01 -0.93 -0.99 1.91 3.04 -1.89 -2.48 116.94 115.61 1n94 h PHE 96 Ca 0.09 -0.02 0.19 0.00 3.98 0.00 0.00 57.97 62.21 1n94 h PHE 96 Cb 0.13 0.31 -0.10 0.00 2.56 0.00 0.00 35.95 38.85 1n94 h PHE 96 CO -0.20 -0.58 0.61 -0.09 -2.02 0.00 0.00 178.31 176.04 1n94 h ARG 97 N -1.14 0.66 0.90 1.11 2.43 -1.23 -1.86 114.38 115.26 1n94 h ARG 97 Ca -0.10 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.98 1n94 h ARG 97 Cb 0.77 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1n94 h ARG 97 CO 0.17 0.44 -0.43 0.22 -1.51 0.00 0.00 179.97 178.85 1n94 h ASP 98 N 0.68 -1.03 -0.78 -3.80 3.58 -1.14 -2.45 116.42 111.49 1n94 h ASP 98 Ca 0.56 0.04 0.07 0.00 0.42 0.00 0.00 57.03 58.12 1n94 h ASP 98 Cb 0.97 0.27 -0.10 0.00 1.72 0.00 0.00 39.33 42.19 1n94 h ASP 98 CO -0.33 -0.73 -0.56 0.58 -2.88 0.00 0.00 179.24 175.31 1n94 h VAL 99 N -1.22 0.00 -0.52 2.25 2.07 -0.86 -1.57 116.25 116.41 1n94 h VAL 99 Ca -0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1n94 h VAL 99 Cb 0.93 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1n94 h VAL 99 CO 0.20 0.00 0.31 1.88 0.02 0.00 0.00 177.57 179.98 1n94 h TYR 100 N -0.13 0.57 -1.17 1.57 -1.99 -1.58 0.41 116.97 114.66 1n94 h TYR 100 Ca 0.13 0.02 0.34 0.00 2.00 0.00 0.00 58.73 61.22 1n94 h TYR 100 Cb 0.46 -0.18 -0.11 0.00 2.00 0.00 0.00 36.73 38.90 1n94 h TYR 100 CO -0.93 0.33 0.75 -0.44 -0.00 0.00 0.00 178.16 177.87 1n94 h ASP 101 N 0.61 0.34 0.61 3.88 3.32 -0.79 1.21 116.42 125.60 1n94 h ASP 101 Ca 0.21 0.11 -0.28 0.00 0.02 0.00 0.00 57.03 57.09 1n94 h ASP 101 Cb 0.03 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1n94 h ASP 101 CO -0.10 -0.04 -1.34 1.88 -1.72 0.00 0.00 179.24 177.93 1n94 h TYR 102 N 0.24 0.39 0.70 4.55 -1.99 -0.37 0.37 116.97 120.85 1n94 h TYR 102 Ca 0.69 -0.28 -0.03 0.00 2.00 0.00 0.00 58.73 61.11 1n94 h TYR 102 Cb 2.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.72 1n94 h TYR 102 CO -0.00 1.27 -0.39 0.35 -0.00 0.00 0.00 178.16 179.38 1n94 h PHE 103 N 0.06 -1.01 -0.13 4.88 3.57 0.54 -2.28 116.94 122.57 1n94 h PHE 103 Ca -0.16 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.33 1n94 h PHE 103 Cb 1.96 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 41.04 1n94 h PHE 103 CO 0.05 -0.60 -0.11 0.00 -2.23 0.00 0.00 178.31 175.43 1n94 h ARG 104 N -1.00 -0.04 -0.76 1.11 3.08 -0.49 0.66 114.38 116.93 1n94 h ARG 104 Ca -0.09 0.00 0.30 0.00 0.07 0.00 0.00 59.98 60.26 1n94 h ARG 104 Cb 0.80 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.71 1n94 h ARG 104 CO 0.12 -0.02 0.34 0.00 -1.07 0.00 0.00 179.97 179.33 1n94 n ALA 105 N -2.91 0.71 0.04 0.04 0.00 -1.17 0.10 120.51 117.32 1n94 n ALA 105 Ca -0.00 0.79 -0.02 0.00 0.00 0.00 0.00 53.44 54.21 1n94 n ALA 105 Cb 0.06 -0.75 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 1n94 n ALA 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n94 h VAL 106 N 0.00 0.00 -0.89 0.00 2.07 0.74 -2.49 116.25 115.68 1n94 h VAL 106 Ca 0.61 -0.16 0.16 0.00 0.82 0.00 0.00 66.70 68.13 1n94 h VAL 106 Cb 1.58 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 31.19 1n94 h VAL 106 CO -0.61 0.00 -0.29 -0.11 0.02 0.00 0.00 177.57 176.58 1n94 n LEU 107 N -2.76 -0.45 0.28 2.57 7.94 0.80 0.25 117.00 125.63 1n94 n LEU 107 Ca -0.01 1.54 0.14 0.00 -1.11 0.00 0.00 56.01 56.56 1n94 n LEU 107 Cb 0.05 -0.41 0.84 0.00 0.53 0.00 0.00 43.42 44.43 1n94 n LEU 107 CO 0.03 -1.43 1.11 -0.61 -1.11 0.00 0.00 177.39 175.39 1n94 h GLN 108 N 0.00 0.00 -0.64 1.96 4.15 0.60 0.26 115.11 121.44 1n94 h GLN 108 Ca 0.37 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.79 1n94 h GLN 108 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1n94 h GLN 108 CO -0.90 0.00 0.00 0.54 -1.93 0.00 0.00 178.83 176.54 1n94 n ARG 109 N -4.02 3.23 -2.48 1.69 1.74 0.69 -4.93 116.66 112.58 1n94 n ARG 109 Ca -0.03 -2.71 -0.05 0.00 -0.77 0.00 0.00 57.85 54.29 1n94 n ARG 109 Cb 0.10 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 29.84 1n94 n ARG 109 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1n94 n ASP 110 N 1.20 -0.96 -4.57 0.55 2.03 0.90 -4.75 116.55 110.95 1n94 n ASP 110 Ca 0.24 0.25 -0.40 0.00 0.52 0.00 0.00 54.79 55.40 1n94 n ASP 110 Cb 0.74 -0.94 -0.03 0.00 -0.72 0.00 0.00 41.12 40.17 1n94 n ASP 110 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1n94 s GLU 111 N -4.63 2.82 -0.14 -0.67 2.12 -1.18 -4.85 118.70 112.17 1n94 s GLU 111 Ca 0.09 1.31 -0.03 0.00 0.36 0.00 0.00 54.97 56.70 1n94 s GLU 111 Cb -0.05 -4.37 -0.07 0.00 0.26 0.00 0.00 34.13 29.90 1n94 s GLU 111 CO 0.11 -2.47 2.81 0.54 -0.54 0.00 0.00 175.26 175.71 1n94 n ARG 112 N 8.82 1.80 -2.28 4.30 5.12 -1.26 -4.81 116.66 128.35 1n94 n ARG 112 Ca 0.27 -1.09 -0.31 0.00 -1.93 0.00 0.00 57.85 54.78 1n94 n ARG 112 Cb 0.50 -1.72 -0.02 0.00 -1.16 0.00 0.00 32.46 30.06 1n94 n ARG 112 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1n94 s SER 113 N 1.41 6.44 0.45 0.55 1.04 -1.26 -4.72 113.70 117.61 1n94 s SER 113 Ca 0.43 1.42 0.23 0.00 0.48 0.00 0.00 55.95 58.51 1n94 s SER 113 Cb 0.24 -2.45 1.06 0.00 0.10 0.00 0.00 66.02 64.97 1n94 s SER 113 CO -0.04 -0.67 1.91 -0.08 0.98 0.00 0.00 173.24 175.33 1n94 h GLU 114 N 0.46 0.00 0.03 4.02 4.57 -1.99 -2.55 114.58 119.11 1n94 h GLU 114 Ca -0.46 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.50 1n94 h GLU 114 Cb 1.19 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 1n94 h GLU 114 CO 0.62 0.23 -1.04 0.07 -1.18 0.00 0.00 179.01 177.70 1n94 h ARG 115 N 0.00 0.06 -0.53 1.92 0.11 -1.96 -3.12 114.38 110.86 1n94 h ARG 115 Ca -0.00 -0.11 -0.05 0.00 0.10 0.00 0.00 59.98 59.92 1n94 h ARG 115 Cb 0.60 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.70 1n94 h ARG 115 CO 0.03 1.04 0.13 0.00 0.10 0.00 0.00 179.97 181.27 1n94 h ALA 116 N 0.91 0.70 -0.03 0.08 0.00 -1.78 -1.46 119.26 117.69 1n94 h ALA 116 Ca -0.04 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1n94 h ALA 116 Cb 1.80 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1n94 h ALA 116 CO 0.15 0.40 -0.15 0.35 0.00 0.00 0.00 179.25 179.99 1n94 h PHE 117 N 0.75 -0.45 -0.92 0.00 3.57 -1.47 0.14 116.94 118.56 1n94 h PHE 117 Ca 0.17 0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.91 1n94 h PHE 117 Cb 0.33 0.20 -0.13 0.00 2.79 0.00 0.00 35.95 39.15 1n94 h PHE 117 CO 0.02 -0.15 0.44 0.87 -2.23 0.00 0.00 178.31 177.26 1n94 h LYS 118 N -0.16 0.42 -0.87 1.11 1.57 -1.48 0.49 116.57 117.65 1n94 h LYS 118 Ca 0.01 -0.03 0.19 0.00 -1.87 0.00 0.00 60.65 58.95 1n94 h LYS 118 Cb 0.19 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 1n94 h LYS 118 CO -0.12 0.28 0.58 1.25 -0.57 0.00 0.00 179.45 180.87 1n94 h LEU 119 N 0.44 0.43 0.24 2.94 5.85 0.31 -2.05 115.31 123.46 1n94 h LEU 119 Ca 0.59 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.33 1n94 h LEU 119 Cb 1.12 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1n94 h LEU 119 CO -0.52 0.19 -0.11 0.71 -0.34 0.00 0.00 178.44 178.36 1n94 h THR 120 N 0.44 0.82 -0.95 1.05 1.35 0.18 -2.24 112.91 113.56 1n94 h THR 120 Ca 0.45 -0.40 0.32 0.00 -0.55 0.00 0.00 66.41 66.23 1n94 h THR 120 Cb 1.06 1.05 -0.18 0.00 -1.73 0.00 0.00 68.15 68.36 1n94 h THR 120 CO -0.17 0.09 0.23 0.54 -0.25 0.00 0.00 175.52 175.96 1n94 n ARG 121 N -5.14 -0.07 -0.04 4.72 1.74 -0.77 0.10 116.66 117.20 1n94 n ARG 121 Ca -0.09 1.38 -0.16 0.00 -0.77 0.00 0.00 57.85 58.21 1n94 n ARG 121 Cb 0.21 -2.31 -0.07 0.00 -1.02 0.00 0.00 32.46 29.28 1n94 n ARG 121 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1n94 h ASP 122 N 0.00 0.85 0.19 0.55 3.32 -1.51 -1.24 116.42 118.58 1n94 h ASP 122 Ca 0.68 -0.59 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1n94 h ASP 122 Cb 1.60 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.90 1n94 h ASP 122 CO -0.83 1.29 -0.07 0.00 -1.72 0.00 0.00 179.24 177.92 1n94 h ALA 123 N 0.57 1.42 0.20 3.45 0.00 0.13 -1.41 119.26 123.62 1n94 h ALA 123 Ca -0.02 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 1n94 h ALA 123 Cb 1.22 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 19.04 1n94 h ALA 123 CO 0.13 0.08 -1.35 0.82 0.00 0.00 0.00 179.25 178.93 1n94 h ILE 124 N 0.00 1.30 -0.71 0.00 2.04 0.20 -2.88 117.51 117.46 1n94 h ILE 124 Ca -0.00 -2.60 -0.05 0.00 1.00 0.00 0.00 64.86 63.21 1n94 h ILE 124 Cb 0.18 2.94 -0.03 0.00 -0.74 0.00 0.00 36.82 39.16 1n94 h ILE 124 CO 0.01 0.78 0.25 -0.33 0.00 0.00 0.00 178.15 178.86 1n94 h GLU 125 N 0.15 1.07 0.00 2.37 3.07 -0.51 2.05 114.58 122.78 1n94 h GLU 125 Ca -0.23 -0.20 -0.08 0.00 -0.50 0.00 0.00 59.36 58.35 1n94 h GLU 125 Cb 2.04 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 29.77 1n94 h GLU 125 CO 0.26 0.89 -0.36 -0.07 -1.40 0.00 0.00 179.01 178.33 1n94 h LEU 126 N 1.04 0.00 -5.00 1.33 3.38 -1.36 -3.39 115.31 111.31 1n94 h LEU 126 Ca 0.23 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 1n94 h LEU 126 Cb 0.25 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.85 1n94 h LEU 126 CO -0.01 0.36 -0.34 -3.20 0.09 0.00 0.00 178.44 175.34 1n94 n ASN 127 N -4.01 -2.57 0.00 -0.43 2.85 -0.65 -4.98 115.26 105.47 1n94 n ASN 127 Ca -0.02 -2.40 0.01 0.00 -0.11 0.00 0.00 54.58 52.05 1n94 n ASN 127 Cb 0.41 1.40 0.04 0.00 1.24 0.00 0.00 39.78 42.87 1n94 n ASN 127 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1n94 n ALA 128 N 2.34 1.63 0.99 5.20 0.00 0.69 -0.85 120.51 130.51 1n94 n ALA 128 Ca 0.12 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.67 1n94 n ALA 128 Cb 0.62 -1.02 0.09 0.00 0.00 0.00 0.00 19.45 19.14 1n94 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n94 n ALA 129 N -0.67 2.54 -2.72 0.00 0.00 -1.26 -4.58 120.51 113.81 1n94 n ALA 129 Ca 0.01 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.34 1n94 n ALA 129 Cb 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 1n94 n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1n94 s ASN 130 N -2.02 6.38 0.53 0.00 3.84 -0.03 -4.88 114.94 118.76 1n94 s ASN 130 Ca 0.27 -1.28 0.20 0.00 0.21 0.00 0.00 52.86 52.26 1n94 s ASN 130 Cb 0.20 -2.49 1.34 0.00 -0.55 0.00 0.00 41.25 39.75 1n94 s ASN 130 CO 0.32 -1.45 2.10 0.10 -2.79 0.00 0.00 177.10 175.38 1n94 h TYR 131 N 9.55 0.00 -0.05 0.43 -0.00 -1.88 -2.02 116.97 122.99 1n94 h TYR 131 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.70 1n94 h TYR 131 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.76 1n94 h TYR 131 CO 1.14 0.00 0.02 1.15 -0.00 0.00 0.00 178.16 180.47 1n94 h THR 132 N 0.00 1.13 -0.81 -0.90 2.02 -1.99 0.15 112.91 112.51 1n94 h THR 132 Ca 0.09 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 1n94 h THR 132 Cb 0.35 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 1n94 h THR 132 CO -0.00 0.10 0.41 0.58 0.37 0.00 0.00 175.52 176.98 1n94 h VAL 133 N -0.06 1.24 -0.73 3.16 2.07 -1.80 0.02 116.25 120.16 1n94 h VAL 133 Ca 0.02 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1n94 h VAL 133 Cb 0.15 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1n94 h VAL 133 CO -0.00 0.29 0.30 -0.50 0.02 0.00 0.00 177.57 177.67 1n94 h TRP 134 N 1.14 1.08 0.45 1.57 4.06 -0.96 -2.15 115.95 121.13 1n94 h TRP 134 Ca 0.28 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 61.14 1n94 h TRP 134 Cb 0.08 -0.33 -0.00 0.00 -1.00 0.00 0.00 29.16 27.91 1n94 h TRP 134 CO 0.01 0.82 -0.29 1.25 -3.56 0.00 0.00 178.44 176.67 1n94 h HIS 135 N 1.05 -0.78 0.00 0.49 2.76 0.11 -0.45 115.15 118.33 1n94 h HIS 135 Ca 0.25 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1n94 h HIS 135 Cb 0.18 0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.43 1n94 h HIS 135 CO 0.02 -0.43 0.26 0.34 -1.30 0.00 0.00 177.93 176.82 1n94 n PHE 136 N -4.15 0.40 -0.05 5.26 7.35 -0.46 -1.45 117.46 124.35 1n94 n PHE 136 Ca -0.09 0.21 -0.05 0.00 -0.76 0.00 0.00 57.45 56.76 1n94 n PHE 136 Cb 0.29 -0.65 -0.05 0.00 0.35 0.00 0.00 39.48 39.43 1n94 n PHE 136 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1n94 h ARG 137 N 0.00 -0.01 -1.04 -4.13 2.43 -0.40 -2.86 114.38 108.37 1n94 h ARG 137 Ca 0.00 0.00 0.29 0.00 -0.81 0.00 0.00 59.98 59.46 1n94 h ARG 137 Cb 0.52 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.95 1n94 h ARG 137 CO 0.00 0.34 0.63 0.00 -1.51 0.00 0.00 179.97 179.43 1n94 h ARG 138 N -1.00 0.42 0.19 0.20 3.08 -0.83 0.18 114.38 116.62 1n94 h ARG 138 Ca -0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1n94 h ARG 138 Cb 0.35 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1n94 h ARG 138 CO 0.00 0.28 -0.27 0.28 -1.07 0.00 0.00 179.97 179.19 1n94 h VAL 139 N 0.43 0.00 -1.08 2.04 2.07 -1.51 0.16 116.25 118.36 1n94 h VAL 139 Ca 0.67 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.48 1n94 h VAL 139 Cb 1.52 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.19 1n94 h VAL 139 CO -0.45 0.00 0.68 -0.07 0.02 0.00 0.00 177.57 177.75 1n94 h LEU 140 N -0.47 0.44 -0.21 2.57 3.38 -0.48 0.83 115.31 121.37 1n94 h LEU 140 Ca -0.02 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1n94 h LEU 140 Cb 0.43 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1n94 h LEU 140 CO -0.08 0.03 0.11 -0.07 0.09 0.00 0.00 178.44 178.52 1n94 h LEU 141 N 0.36 0.27 0.10 1.67 4.07 0.42 -0.70 115.31 121.50 1n94 h LEU 141 Ca 0.64 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.50 1n94 h LEU 141 Cb 1.65 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 43.31 1n94 h LEU 141 CO -0.36 0.29 -0.22 -0.09 -1.08 0.00 0.00 178.44 176.99 1n94 h ARG 142 N 0.22 -0.34 0.25 1.13 2.43 0.34 -1.36 114.38 117.05 1n94 h ARG 142 Ca 0.07 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1n94 h ARG 142 Cb 0.09 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1n94 h ARG 142 CO -0.01 -0.23 -0.13 0.77 -1.51 0.00 0.00 179.97 178.87 1n94 h SER 143 N -0.35 -0.31 0.00 -3.80 0.02 -1.26 -2.28 113.55 105.57 1n94 h SER 143 Ca -0.01 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1n94 h SER 143 Cb 0.34 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1n94 h SER 143 CO -0.09 -0.21 0.05 0.18 -1.14 0.00 0.00 176.83 175.62 1n94 n LEU 144 N -2.97 0.00 -3.53 5.07 4.32 -0.27 -4.81 117.00 114.81 1n94 n LEU 144 Ca -0.04 0.26 -0.23 0.00 -0.02 0.00 0.00 56.01 55.98 1n94 n LEU 144 Cb 0.14 -0.26 0.01 0.00 -1.62 0.00 0.00 43.42 41.69 1n94 n LEU 144 CO 0.10 -0.26 -0.14 0.00 -1.22 0.00 0.00 177.39 175.87 1n94 n GLN 145 N -1.23 -1.68 -2.65 3.23 6.02 -0.56 -4.94 117.38 115.56 1n94 n GLN 145 Ca 0.00 1.16 -0.27 0.00 -0.01 0.00 0.00 57.00 57.88 1n94 n GLN 145 Cb 0.05 -3.04 0.00 0.00 1.02 0.00 0.00 30.24 28.28 1n94 n GLN 145 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1n94 s LYS 146 N -3.81 3.43 -0.03 -1.09 -0.14 -0.91 -5.02 119.74 112.18 1n94 s LYS 146 Ca 0.12 0.12 -0.30 0.00 -1.36 0.00 0.00 55.97 54.55 1n94 s LYS 146 Cb -0.02 -2.38 -0.04 0.00 -1.68 0.00 0.00 37.83 33.71 1n94 s LYS 146 CO 0.86 -0.26 1.22 0.34 -0.76 0.00 0.00 175.35 176.74 1n94 s ASP 147 N -4.14 7.04 0.26 2.83 3.68 -1.26 -4.92 116.67 120.16 1n94 s ASP 147 Ca 0.48 1.88 0.14 0.00 2.13 0.00 0.00 52.55 57.18 1n94 s ASP 147 Cb -0.10 -2.56 0.06 0.00 -1.45 0.00 0.00 42.92 38.87 1n94 s ASP 147 CO 0.44 -0.57 1.44 -0.07 0.13 0.00 0.00 175.17 176.54 1n94 h LEU 148 N 7.91 0.00 -0.24 -1.34 3.38 -1.98 -2.74 115.31 120.30 1n94 h LEU 148 Ca -0.36 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 1n94 h LEU 148 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1n94 h LEU 148 CO 0.87 0.57 -0.34 1.56 0.09 0.00 0.00 178.44 181.19 1n94 h GLN 149 N 0.00 0.64 -0.94 1.13 1.08 -1.98 0.66 115.11 115.71 1n94 h GLN 149 Ca -0.01 -0.38 0.26 0.00 -1.45 0.00 0.00 58.65 57.08 1n94 h GLN 149 Cb 1.41 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 28.83 1n94 h GLN 149 CO 0.07 0.99 0.66 1.49 -0.95 0.00 0.00 178.83 181.10 1n94 h GLU 150 N 0.35 0.09 0.02 1.46 4.57 -1.95 0.16 114.58 119.28 1n94 h GLU 150 Ca 0.02 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1n94 h GLU 150 Cb 0.92 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1n94 h GLU 150 CO 0.08 0.06 -0.01 1.49 -1.18 0.00 0.00 179.01 179.45 1n94 h GLU 151 N 0.09 -0.02 -0.79 1.92 4.57 -0.90 -3.24 114.58 116.21 1n94 h GLU 151 Ca 0.46 0.00 0.17 0.00 -1.18 0.00 0.00 59.36 58.82 1n94 h GLU 151 Cb 1.67 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 30.12 1n94 h GLU 151 CO -0.05 0.69 -0.08 0.52 -1.18 0.00 0.00 179.01 178.91 1n94 h MET 152 N -0.95 0.05 -0.90 1.92 2.86 0.29 0.83 114.93 119.03 1n94 h MET 152 Ca -0.00 -0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.73 1n94 h MET 152 Cb 0.72 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.31 1n94 h MET 152 CO 0.00 0.03 0.58 -0.91 1.06 0.00 0.00 176.91 177.67 1n94 h ASN 153 N 0.05 0.81 -0.35 1.22 -0.26 -1.03 0.22 115.58 116.23 1n94 h ASN 153 Ca 0.41 0.02 -0.12 0.00 -0.56 0.00 0.00 56.30 56.06 1n94 h ASN 153 Cb 0.70 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.81 1n94 h ASN 153 CO -0.75 0.48 -0.25 0.22 -1.06 0.00 0.00 177.43 176.07 1n94 h TYR 154 N 0.90 0.92 0.00 1.19 3.20 0.59 -2.96 116.97 120.80 1n94 h TYR 154 Ca 0.41 -0.25 -0.14 0.00 3.14 0.00 0.00 58.73 61.89 1n94 h TYR 154 Cb 0.40 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1n94 h TYR 154 CO -0.00 1.01 -0.67 0.97 -1.64 0.00 0.00 178.16 177.83 1n94 h ILE 155 N 0.57 1.35 -0.46 1.81 6.09 -0.38 -2.40 117.51 124.09 1n94 h ILE 155 Ca 0.07 -2.40 -0.00 0.00 -1.37 0.00 0.00 64.86 61.16 1n94 h ILE 155 Cb 0.81 2.34 -0.02 0.00 0.47 0.00 0.00 36.82 40.42 1n94 h ILE 155 CO 0.07 0.66 0.27 0.40 -3.07 0.00 0.00 178.15 176.48 1n94 h ILE 156 N 0.00 1.15 0.00 2.19 2.04 -0.58 -1.65 117.51 120.66 1n94 h ILE 156 Ca -0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1n94 h ILE 156 Cb 1.28 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1n94 h ILE 156 CO 0.09 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.39 1n94 n ALA 157 N -2.25 -0.22 -0.35 1.87 0.00 -1.07 -0.67 120.51 117.82 1n94 n ALA 157 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 1n94 n ALA 157 Cb 0.06 0.19 -0.01 0.00 0.00 0.00 0.00 19.45 19.69 1n94 n ALA 157 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1n94 h ILE 158 N 0.00 0.03 -0.51 0.00 1.08 -1.41 0.46 117.51 117.16 1n94 h ILE 158 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1n94 h ILE 158 Cb 0.00 0.03 -0.06 0.00 -3.07 0.00 0.00 36.82 33.72 1n94 h ILE 158 CO 0.00 0.00 0.19 0.40 -0.69 0.00 0.00 178.15 178.05 1n94 h ILE 159 N -0.05 0.84 -0.96 -0.67 2.04 -1.23 0.73 117.51 118.21 1n94 h ILE 159 Ca 0.26 -0.13 0.17 0.00 1.00 0.00 0.00 64.86 66.16 1n94 h ILE 159 Cb 0.54 0.43 -0.09 0.00 -0.74 0.00 0.00 36.82 36.97 1n94 h ILE 159 CO -0.90 0.07 0.60 -0.08 0.00 0.00 0.00 178.15 177.84 1n94 h GLU 160 N 0.38 0.68 0.11 2.37 4.57 0.21 -1.51 114.58 121.39 1n94 h GLU 160 Ca 0.24 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1n94 h GLU 160 Cb 0.25 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1n94 h GLU 160 CO -0.24 0.45 -0.05 0.93 -1.18 0.00 0.00 179.01 178.92 1n94 h GLU 161 N 0.70 -0.14 -2.48 1.92 5.08 0.24 -3.39 114.58 116.51 1n94 h GLU 161 Ca 0.51 0.01 -0.61 0.00 -1.00 0.00 0.00 59.36 58.27 1n94 h GLU 161 Cb 0.86 0.03 -0.41 0.00 0.50 0.00 0.00 28.75 29.72 1n94 h GLU 161 CO -0.27 0.35 -0.53 1.04 -1.00 0.00 0.00 179.01 178.60 1n94 n GLN 162 N -4.86 2.41 0.25 2.33 6.02 0.20 -4.94 117.38 118.80 1n94 n GLN 162 Ca -0.08 -4.62 0.09 0.00 -0.01 0.00 0.00 57.00 52.38 1n94 n GLN 162 Cb 0.28 -2.28 0.65 0.00 1.02 0.00 0.00 30.24 29.90 1n94 n GLN 162 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1n94 h PRO 163 N 4.57 0.00 -0.98 -1.09 0.11 -1.49 -2.91 132.00 130.21 1n94 h PRO 163 Ca 0.19 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 1n94 h PRO 163 Cb 0.69 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1n94 h PRO 163 CO 0.82 0.09 0.02 1.63 -0.21 0.00 0.00 178.00 180.35 1n94 n LYS 164 N -4.22 1.25 -3.98 1.05 4.76 -1.26 -4.86 118.16 110.90 1n94 n LYS 164 Ca -0.03 -0.27 -0.23 0.00 -2.87 0.00 0.00 58.31 54.91 1n94 n LYS 164 Cb 0.17 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 31.94 1n94 n LYS 164 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1n94 s ASN 165 N 0.26 6.23 -0.11 4.39 2.47 -1.10 -5.06 114.94 122.01 1n94 s ASN 165 Ca 0.05 0.07 -0.09 0.00 0.42 0.00 0.00 52.86 53.31 1n94 s ASN 165 Cb 0.04 -1.82 -0.03 0.00 -1.45 0.00 0.00 41.25 37.99 1n94 s ASN 165 CO 0.01 -0.02 -0.18 -1.22 -3.72 0.00 0.00 177.10 171.98 1n94 n TYR 166 N -1.03 0.31 -0.22 0.43 0.53 -1.26 -4.28 117.16 111.64 1n94 n TYR 166 Ca -0.08 0.13 0.22 0.00 -1.02 0.00 0.00 57.90 57.15 1n94 n TYR 166 Cb 0.56 -0.47 0.57 0.00 -1.03 0.00 0.00 39.34 38.98 1n94 n TYR 166 CO 0.00 0.00 0.00 -0.56 -1.02 0.00 0.00 176.86 175.28 1n94 h GLN 167 N -0.67 0.27 -0.04 -0.72 -0.00 -1.92 -0.53 115.11 111.50 1n94 h GLN 167 Ca 0.00 -0.02 -0.11 0.00 -0.00 0.00 0.00 58.65 58.52 1n94 h GLN 167 Cb 0.51 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 27.92 1n94 h GLN 167 CO 0.00 0.18 -0.49 -0.24 -0.00 0.00 0.00 178.83 178.28 1n94 h VAL 168 N 0.28 1.35 0.09 1.86 3.04 -1.81 -1.08 116.25 119.98 1n94 h VAL 168 Ca 0.45 -1.70 -0.00 0.00 -1.01 0.00 0.00 66.70 64.44 1n94 h VAL 168 Cb 1.31 1.87 0.00 0.00 -2.01 0.00 0.00 31.29 32.45 1n94 h VAL 168 CO -0.13 0.49 -0.04 -0.50 -1.01 0.00 0.00 177.57 176.38 1n94 h TRP 169 N 0.09 -0.11 -1.24 3.17 4.06 -1.30 -3.09 115.95 117.52 1n94 h TRP 169 Ca 0.00 -0.00 0.36 0.00 2.06 0.00 0.00 58.89 61.31 1n94 h TRP 169 Cb 0.90 0.04 -0.05 0.00 -1.00 0.00 0.00 29.16 29.05 1n94 h TRP 169 CO 0.01 -0.07 1.01 1.25 -3.56 0.00 0.00 178.44 177.07 1n94 h HIS 170 N -0.62 0.00 0.00 0.49 -0.00 -1.45 2.17 115.15 115.75 1n94 h HIS 170 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 1n94 h HIS 170 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 1n94 h HIS 170 CO 0.01 0.00 -0.24 1.25 -0.00 0.00 0.00 177.93 178.95 1n94 h HIS 171 N 0.00 0.00 0.08 5.26 -0.00 -1.23 -1.91 115.15 117.35 1n94 h HIS 171 Ca 0.59 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.71 1n94 h HIS 171 Cb 2.59 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 30.01 1n94 h HIS 171 CO 0.00 0.24 -1.12 -0.09 -0.00 0.00 0.00 177.93 176.96 1n94 h ARG 172 N 0.00 0.29 -0.03 5.26 2.43 0.37 -3.01 114.38 119.68 1n94 h ARG 172 Ca -0.00 -0.42 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1n94 h ARG 172 Cb 0.86 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1n94 h ARG 172 CO 0.03 1.16 0.01 -0.09 -1.51 0.00 0.00 179.97 179.56 1n94 h ARG 173 N 0.12 0.05 -0.05 0.20 2.43 -1.22 -1.63 114.38 114.29 1n94 h ARG 173 Ca -0.11 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1n94 h ARG 173 Cb 1.82 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 31.30 1n94 h ARG 173 CO 0.18 0.30 -0.40 0.28 -1.51 0.00 0.00 179.97 178.82 1n94 h VAL 174 N -0.19 0.18 -0.24 0.20 2.07 -1.42 0.12 116.25 116.96 1n94 h VAL 174 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1n94 h VAL 174 Cb 0.27 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.15 1n94 h VAL 174 CO 0.00 0.00 -0.32 -0.07 0.02 0.00 0.00 177.57 177.20 1n94 h LEU 175 N -0.52 -1.02 -0.01 2.57 3.38 -1.47 -1.45 115.31 116.79 1n94 h LEU 175 Ca 0.06 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1n94 h LEU 175 Cb 0.62 0.45 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 1n94 h LEU 175 CO -0.33 -0.34 -0.28 0.58 0.09 0.00 0.00 178.44 178.16 1n94 h VAL 176 N -0.33 0.37 -0.02 1.22 2.07 -0.64 0.32 116.25 119.25 1n94 h VAL 176 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1n94 h VAL 176 Cb 0.54 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1n94 h VAL 176 CO -0.42 0.00 0.02 1.05 0.02 0.00 0.00 177.57 178.23 1n94 h GLU 177 N -0.42 0.00 -0.00 1.57 4.11 -0.44 0.19 114.58 119.59 1n94 h GLU 177 Ca 0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 1n94 h GLU 177 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1n94 h GLU 177 CO -0.25 0.00 -0.00 -1.49 0.07 0.00 0.00 179.01 177.34 1n94 h TRP 178 N 0.00 0.00 0.00 2.06 6.55 0.10 -3.02 115.95 121.64 1n94 h TRP 178 Ca 0.01 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1n94 h TRP 178 Cb 0.05 -0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.35 1n94 h TRP 178 CO 0.00 0.34 0.00 -0.07 -1.05 0.00 0.00 178.44 177.66 1n94 h LEU 179 N -0.34 0.00 0.18 -4.49 -0.00 -0.42 -3.46 115.31 106.78 1n94 h LEU 179 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1n94 h LEU 179 Cb 0.34 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.97 1n94 h LEU 179 CO 0.00 0.00 -0.07 0.29 -0.00 0.00 0.00 178.44 178.66 1n94 n LYS 180 N -2.49 -1.65 -4.02 1.13 4.76 0.58 -4.94 118.16 111.52 1n94 n LYS 180 Ca 0.03 0.58 -0.32 0.00 -2.87 0.00 0.00 58.31 55.73 1n94 n LYS 180 Cb 0.35 -4.89 -0.15 0.00 -1.84 0.00 0.00 35.03 28.51 1n94 n LYS 180 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1n94 s ASP 181 N -2.17 4.64 0.00 4.39 2.15 -1.24 -4.96 116.67 119.48 1n94 s ASP 181 Ca 0.00 -1.60 0.24 0.00 0.43 0.00 0.00 52.55 51.61 1n94 s ASP 181 Cb 0.00 -1.61 0.57 0.00 -0.30 0.00 0.00 42.92 41.58 1n94 s ASP 181 CO 0.00 -0.27 1.47 -0.81 -0.17 0.00 0.00 175.17 175.40 1n94 n PRO 182 N 4.42 2.09 -0.30 4.34 -0.04 -1.26 -4.65 135.00 139.60 1n94 n PRO 182 Ca -0.09 -1.62 -0.01 0.00 -0.04 0.00 0.00 63.50 61.74 1n94 n PRO 182 Cb 0.42 -1.46 0.03 0.00 -0.04 0.00 0.00 33.50 32.45 1n94 n PRO 182 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1n94 n SER 183 N 0.89 -0.52 -0.27 3.54 3.41 -1.26 -0.92 113.62 118.49 1n94 n SER 183 Ca 0.17 1.37 -0.05 0.00 -0.26 0.00 0.00 58.87 60.09 1n94 n SER 183 Cb 0.48 -0.31 0.06 0.00 -0.26 0.00 0.00 64.21 64.19 1n94 n SER 183 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1n94 h GLN 184 N 0.00 1.01 0.00 4.33 4.20 -2.04 -3.40 115.11 119.21 1n94 h GLN 184 Ca 0.27 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1n94 h GLN 184 Cb 0.46 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1n94 h GLN 184 CO -0.77 0.72 0.00 0.39 -0.67 0.00 0.00 178.83 178.50 1n94 n GLU 185 N -4.50 0.00 -0.30 1.46 -0.58 -0.09 -2.22 120.64 114.40 1n94 n GLU 185 Ca 0.07 0.33 0.27 0.00 -0.42 0.00 0.00 57.16 57.40 1n94 n GLU 185 Cb 0.07 -0.74 0.46 0.00 -0.57 0.00 0.00 31.44 30.65 1n94 n GLU 185 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1n94 n LEU 186 N -0.74 0.17 -0.03 -4.62 4.77 -1.26 0.76 117.00 116.05 1n94 n LEU 186 Ca 0.00 1.02 -0.15 0.00 -0.03 0.00 0.00 56.01 56.85 1n94 n LEU 186 Cb 0.00 -0.50 -0.11 0.00 -2.33 0.00 0.00 43.42 40.48 1n94 n LEU 186 CO 0.00 -1.11 0.43 -0.33 -1.33 0.00 0.00 177.39 175.04 1n94 h GLU 187 N 0.00 0.16 0.00 3.23 5.08 -1.74 -3.04 114.58 118.27 1n94 h GLU 187 Ca 0.61 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1n94 h GLU 187 Cb 1.88 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1n94 h GLU 187 CO -0.38 0.87 0.00 0.34 -1.00 0.00 0.00 179.01 178.85 1n94 n PHE 188 N -4.55 0.00 -0.22 4.33 7.35 0.23 -1.81 117.46 122.80 1n94 n PHE 188 Ca -0.09 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.71 1n94 n PHE 188 Cb 0.47 -0.26 0.21 0.00 0.35 0.00 0.00 39.48 40.25 1n94 n PHE 188 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1n94 n ILE 189 N -1.52 -0.27 -0.26 -2.13 5.41 -0.81 0.21 119.36 119.99 1n94 n ILE 189 Ca 0.00 1.39 0.01 0.00 1.00 0.00 0.00 62.75 65.15 1n94 n ILE 189 Cb 0.00 -2.06 0.13 0.00 -0.71 0.00 0.00 39.64 37.00 1n94 n ILE 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1n94 h ALA 190 N 1.28 1.03 -0.41 -1.39 0.00 -1.33 0.56 119.26 119.00 1n94 h ALA 190 Ca 0.41 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 1n94 h ALA 190 Cb 0.89 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1n94 h ALA 190 CO -0.59 0.06 -0.15 0.22 0.00 0.00 0.00 179.25 178.79 1n94 h ASP 191 N 0.73 0.75 -0.03 0.00 3.58 0.33 -0.51 116.42 121.26 1n94 h ASP 191 Ca 0.35 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 1n94 h ASP 191 Cb 0.28 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 1n94 h ASP 191 CO -0.22 0.91 0.01 0.40 -2.88 0.00 0.00 179.24 177.45 1n94 h ILE 192 N 0.67 1.19 0.00 2.25 1.08 -0.58 -1.91 117.51 120.22 1n94 h ILE 192 Ca 0.11 -0.57 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1n94 h ILE 192 Cb 0.63 1.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 1n94 h ILE 192 CO 0.04 0.15 0.00 0.18 -0.69 0.00 0.00 178.15 177.84 1n94 n LEU 193 N -4.95 0.33 -0.75 1.44 4.77 0.18 -0.97 117.00 117.06 1n94 n LEU 193 Ca -0.07 0.64 0.11 0.00 -0.03 0.00 0.00 56.01 56.66 1n94 n LEU 193 Cb 0.14 -0.67 0.32 0.00 -2.33 0.00 0.00 43.42 40.88 1n94 n LEU 193 CO 0.34 -0.71 0.75 -3.20 -1.33 0.00 0.00 177.39 173.23 1n94 n ASN 194 N -1.93 2.25 -0.03 -1.43 2.85 -0.24 -2.03 115.26 114.70 1n94 n ASN 194 Ca -0.00 -1.81 -0.04 0.00 -0.11 0.00 0.00 54.58 52.62 1n94 n ASN 194 Cb 0.05 -0.14 -0.04 0.00 1.24 0.00 0.00 39.78 40.89 1n94 n ASN 194 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1n94 n GLN 195 N 0.71 0.86 -3.55 1.20 6.02 -0.14 -4.87 117.38 117.61 1n94 n GLN 195 Ca 0.17 0.03 -0.29 0.00 -0.01 0.00 0.00 57.00 56.90 1n94 n GLN 195 Cb 0.42 -1.14 -0.13 0.00 1.02 0.00 0.00 30.24 30.41 1n94 n GLN 195 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1n94 s ASP 196 N -4.46 3.24 0.00 1.08 -1.08 -0.69 -4.99 116.67 109.77 1n94 s ASP 196 Ca -0.08 -2.20 0.00 0.00 -0.52 0.00 0.00 52.55 49.75 1n94 s ASP 196 Cb 0.02 -0.58 0.00 0.00 -1.46 0.00 0.00 42.92 40.90 1n94 s ASP 196 CO 0.18 -0.31 0.03 0.00 0.52 0.00 0.00 175.17 175.59 1n94 n ALA 197 N 4.05 1.14 -1.95 3.66 0.00 -0.86 -1.93 120.51 124.61 1n94 n ALA 197 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1n94 n ALA 197 Cb 0.37 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1n94 n ALA 197 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n94 n LYS 198 N 0.36 0.00 -1.80 0.00 5.02 -1.26 -4.79 118.16 115.69 1n94 n LYS 198 Ca 0.00 -0.44 -0.43 0.00 -2.02 0.00 0.00 58.31 55.42 1n94 n LYS 198 Cb 0.01 -0.23 -0.03 0.00 -0.02 0.00 0.00 35.03 34.76 1n94 n LYS 198 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1n94 s ASN 199 N -0.42 5.89 0.07 4.39 3.84 -0.81 -4.86 114.94 123.03 1n94 s ASN 199 Ca 0.00 1.85 -0.19 0.00 0.21 0.00 0.00 52.86 54.73 1n94 s ASN 199 Cb 0.00 -2.52 -0.07 0.00 -0.55 0.00 0.00 41.25 38.11 1n94 s ASN 199 CO 0.00 -1.62 1.30 0.22 -2.79 0.00 0.00 177.10 174.22 1n94 h TYR 200 N 13.00 -0.91 -0.98 0.43 3.20 -1.95 -1.42 116.97 128.34 1n94 h TYR 200 Ca -0.39 0.04 0.15 0.00 3.14 0.00 0.00 58.73 61.66 1n94 h TYR 200 Cb 1.21 0.41 -0.16 0.00 1.54 0.00 0.00 36.73 39.73 1n94 h TYR 200 CO 0.94 -0.30 -0.40 0.45 -1.64 0.00 0.00 178.16 177.22 1n94 h HIS 201 N -0.30 -1.14 -0.56 -3.82 3.86 -1.90 0.25 115.15 111.56 1n94 h HIS 201 Ca 0.02 0.11 0.11 0.00 -1.16 0.00 0.00 60.37 59.45 1n94 h HIS 201 Cb 0.36 0.64 -0.11 0.00 1.06 0.00 0.00 27.41 29.37 1n94 h HIS 201 CO -0.56 -0.40 -0.14 0.00 0.86 0.00 0.00 177.93 177.69 1n94 h ALA 202 N 1.31 0.36 -0.23 2.45 0.00 -1.63 0.82 119.26 122.34 1n94 h ALA 202 Ca 0.33 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 1n94 h ALA 202 Cb 0.58 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1n94 h ALA 202 CO -0.97 -0.44 0.02 -1.49 0.00 0.00 0.00 179.25 176.37 1n94 h TRP 203 N -0.00 0.43 0.42 0.00 4.06 0.26 -1.69 115.95 119.42 1n94 h TRP 203 Ca 0.27 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 61.14 1n94 h TRP 203 Cb 0.41 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.45 1n94 h TRP 203 CO -0.47 0.55 -0.27 0.37 -3.56 0.00 0.00 178.44 175.06 1n94 h GLN 204 N 0.18 -0.64 -0.88 0.49 4.15 0.23 0.19 115.11 118.83 1n94 h GLN 204 Ca 0.07 0.04 0.20 0.00 0.77 0.00 0.00 58.65 59.73 1n94 h GLN 204 Cb 0.37 0.15 -0.11 0.00 0.21 0.00 0.00 27.48 28.09 1n94 h GLN 204 CO 0.01 -0.43 0.41 1.25 -1.93 0.00 0.00 178.83 178.14 1n94 h HIS 205 N -0.67 0.69 -0.22 3.99 2.76 0.60 -0.12 115.15 122.18 1n94 h HIS 205 Ca -0.04 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1n94 h HIS 205 Cb 0.55 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 1n94 h HIS 205 CO -0.11 0.02 0.10 -0.09 -1.30 0.00 0.00 177.93 176.56 1n94 h ARG 206 N 0.47 0.31 -0.48 5.26 2.43 -0.26 -1.02 114.38 121.08 1n94 h ARG 206 Ca 0.53 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.72 1n94 h ARG 206 Cb 0.93 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.37 1n94 h ARG 206 CO -0.48 0.33 0.16 1.96 -1.51 0.00 0.00 179.97 180.43 1n94 h GLN 207 N 0.22 0.32 0.41 0.20 4.20 0.11 -0.12 115.11 120.46 1n94 h GLN 207 Ca 0.07 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1n94 h GLN 207 Cb 0.12 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1n94 h GLN 207 CO -0.01 0.21 -0.28 2.35 -0.67 0.00 0.00 178.83 180.43 1n94 h TRP 208 N 0.33 -0.74 -0.51 2.96 7.01 -1.07 0.43 115.95 124.36 1n94 h TRP 208 Ca 0.23 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.38 1n94 h TRP 208 Cb 0.25 0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 1n94 h TRP 208 CO -0.17 -0.42 0.42 0.28 -2.79 0.00 0.00 178.44 175.76 1n94 h VAL 209 N -0.68 0.57 0.12 2.65 2.07 -0.76 0.78 116.25 121.01 1n94 h VAL 209 Ca -0.04 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.17 1n94 h VAL 209 Cb 0.57 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1n94 h VAL 209 CO 0.03 0.00 -1.52 0.40 0.02 0.00 0.00 177.57 176.50 1n94 h ILE 210 N 0.00 1.17 0.09 4.57 2.04 -0.37 -3.23 117.51 121.78 1n94 h ILE 210 Ca 0.24 -2.80 -0.00 0.00 1.00 0.00 0.00 64.86 63.30 1n94 h ILE 210 Cb 1.09 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.94 1n94 h ILE 210 CO -0.00 0.82 -0.04 1.56 0.00 0.00 0.00 178.15 180.49 1n94 h GLN 211 N 0.07 -0.12 -1.20 2.37 4.20 0.47 -2.08 115.11 118.82 1n94 h GLN 211 Ca -0.24 0.01 0.35 0.00 0.06 0.00 0.00 58.65 58.83 1n94 h GLN 211 Cb 2.02 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.78 1n94 h GLN 211 CO 0.17 -0.08 1.12 0.93 -0.67 0.00 0.00 178.83 180.29 1n94 h GLU 212 N -0.34 0.00 0.00 1.46 4.39 -1.11 -0.22 114.58 118.77 1n94 h GLU 212 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1n94 h GLU 212 Cb 0.10 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1n94 h GLU 212 CO 0.02 0.00 -0.35 1.19 -1.16 0.00 0.00 179.01 178.71 1n94 n PHE 213 N -3.59 0.00 -3.98 4.33 3.01 -1.22 -5.01 117.46 111.00 1n94 n PHE 213 Ca 0.26 -1.13 -0.33 0.00 1.01 0.00 0.00 57.45 57.27 1n94 n PHE 213 Cb 1.49 -0.19 -0.00 0.00 -0.01 0.00 0.00 39.48 40.77 1n94 n PHE 213 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1n94 n ARG 214 N -1.04 -0.51 -0.81 -1.08 5.12 -0.09 -4.84 116.66 113.41 1n94 n ARG 214 Ca 0.16 -0.07 0.03 0.00 -1.93 0.00 0.00 57.85 56.03 1n94 n ARG 214 Cb 0.71 -1.73 0.32 0.00 -1.16 0.00 0.00 32.46 30.60 1n94 n ARG 214 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1n94 n LEU 215 N -3.96 5.24 0.00 0.55 4.77 -0.82 -4.82 117.00 117.97 1n94 n LEU 215 Ca -0.11 -3.11 0.00 0.00 -0.03 0.00 0.00 56.01 52.76 1n94 n LEU 215 Cb 0.43 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1n94 n LEU 215 CO 0.57 0.74 0.49 0.79 -1.33 0.00 0.00 177.39 178.65 1n94 n TRP 216 N -0.07 0.00 0.00 -1.77 7.02 -1.26 -4.26 117.44 117.10 1n94 n TRP 216 Ca 0.31 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.79 1n94 n TRP 216 Cb 1.17 -0.49 0.00 0.00 -2.42 0.00 0.00 31.31 29.57 1n94 n TRP 216 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1n94 n ASP 217 N -2.61 0.00 -2.67 -0.99 9.92 -1.26 -0.47 116.55 118.47 1n94 n ASP 217 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.91 1n94 n ASP 217 Cb 0.00 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.52 1n94 n ASP 217 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1n94 n ASN 218 N 0.00 6.72 -0.10 -2.24 3.02 -1.26 -4.55 115.26 116.85 1n94 n ASN 218 Ca 0.00 -3.80 -0.18 0.00 -0.03 0.00 0.00 54.58 50.57 1n94 n ASN 218 Cb 0.00 -0.86 -0.08 0.00 -0.61 0.00 0.00 39.78 38.22 1n94 n ASN 218 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1n94 n GLU 219 N -0.60 0.48 -0.05 3.52 4.07 0.37 -4.06 120.64 124.38 1n94 n GLU 219 Ca 0.51 0.15 0.23 0.00 -0.06 0.00 0.00 57.16 58.00 1n94 n GLU 219 Cb 0.45 -1.33 0.71 0.00 -0.06 0.00 0.00 31.44 31.21 1n94 n GLU 219 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1n94 h LEU 220 N -0.36 0.00 -0.04 4.31 5.85 -1.80 0.68 115.31 123.95 1n94 h LEU 220 Ca -0.49 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1n94 h LEU 220 Cb 1.59 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 1n94 h LEU 220 CO -0.19 0.00 -0.03 -0.61 -0.34 0.00 0.00 178.44 177.27 1n94 h GLN 221 N 0.00 0.09 -0.22 1.25 4.15 -1.87 -2.32 115.11 116.19 1n94 h GLN 221 Ca 0.30 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.74 1n94 h GLN 221 Cb 1.27 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.88 1n94 h GLN 221 CO -0.00 0.52 -0.38 -0.92 -1.93 0.00 0.00 178.83 176.11 1n94 h TYR 222 N -0.35 -1.09 -0.54 3.99 3.20 0.05 0.26 116.97 122.49 1n94 h TYR 222 Ca 0.01 0.05 0.11 0.00 3.14 0.00 0.00 58.73 62.04 1n94 h TYR 222 Cb 0.50 0.51 -0.10 0.00 1.54 0.00 0.00 36.73 39.18 1n94 h TYR 222 CO 0.08 -0.44 -0.13 0.28 -1.64 0.00 0.00 178.16 176.32 1n94 h VAL 223 N -0.40 0.47 -0.72 1.81 2.07 -0.66 0.12 116.25 118.94 1n94 h VAL 223 Ca 0.11 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.64 1n94 h VAL 223 Cb 0.59 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1n94 h VAL 223 CO -0.44 0.00 0.48 0.44 0.02 0.00 0.00 177.57 178.07 1n94 h ASP 224 N 0.00 0.81 0.51 0.57 3.32 -0.48 -1.19 116.42 119.96 1n94 h ASP 224 Ca 0.26 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1n94 h ASP 224 Cb 0.40 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1n94 h ASP 224 CO -0.55 0.58 -0.27 -0.61 -1.72 0.00 0.00 179.24 176.67 1n94 h GLN 225 N 0.96 -0.69 -0.16 3.56 4.15 0.21 -2.40 115.11 120.75 1n94 h GLN 225 Ca 0.27 0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.78 1n94 h GLN 225 Cb -0.07 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1n94 h GLN 225 CO -0.06 -0.46 0.19 -0.07 -1.93 0.00 0.00 178.83 176.50 1n94 h LEU 226 N -0.71 0.00 -0.75 -2.39 3.38 -1.25 -0.37 115.31 113.21 1n94 h LEU 226 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1n94 h LEU 226 Cb 0.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1n94 h LEU 226 CO 0.10 0.00 0.44 -0.07 0.09 0.00 0.00 178.44 179.00 1n94 h LEU 227 N 0.00 0.91 0.62 1.67 3.38 -0.72 -1.08 115.31 120.09 1n94 h LEU 227 Ca 0.07 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1n94 h LEU 227 Cb 0.46 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1n94 h LEU 227 CO -0.00 0.72 -0.30 0.11 0.09 0.00 0.00 178.44 179.06 1n94 h LYS 228 N 1.03 -0.81 -0.98 1.13 1.57 -0.72 -0.94 116.57 116.85 1n94 h LYS 228 Ca 0.27 0.05 0.33 0.00 -1.87 0.00 0.00 60.65 59.43 1n94 h LYS 228 Cb -0.02 0.18 -0.18 0.00 0.08 0.00 0.00 32.23 32.29 1n94 h LYS 228 CO -0.05 -0.49 0.23 0.39 -0.57 0.00 0.00 179.45 178.95 1n94 n GLU 229 N -5.39 -0.07 -2.84 3.15 1.02 -0.91 -3.98 120.64 111.61 1n94 n GLU 229 Ca -0.12 1.43 -0.02 0.00 -0.02 0.00 0.00 57.16 58.42 1n94 n GLU 229 Cb 0.36 -2.38 0.01 0.00 -0.02 0.00 0.00 31.44 29.40 1n94 n GLU 229 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1n94 s ASP 230 N -4.81 -1.19 0.66 1.62 3.68 -0.46 -5.01 116.67 111.16 1n94 s ASP 230 Ca -0.11 -1.18 0.22 0.00 2.13 0.00 0.00 52.55 53.61 1n94 s ASP 230 Cb 0.31 1.54 1.16 0.00 -1.45 0.00 0.00 42.92 44.48 1n94 s ASP 230 CO 0.77 -0.07 1.65 1.62 0.13 0.00 0.00 175.17 179.27 1n94 h VAL 231 N 4.47 0.03 0.00 1.11 3.04 -1.30 0.35 116.25 123.95 1n94 h VAL 231 Ca 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.73 1n94 h VAL 231 Cb 1.14 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1n94 h VAL 231 CO 0.00 0.00 -0.02 0.54 -1.01 0.00 0.00 177.57 177.08 1n94 n ARG 232 N -2.87 0.06 -1.57 4.17 1.74 -1.26 -4.76 116.66 112.17 1n94 n ARG 232 Ca 0.00 0.04 -0.16 0.00 -0.77 0.00 0.00 57.85 56.97 1n94 n ARG 232 Cb 0.61 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.42 1n94 n ARG 232 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1n94 s ASN 233 N -3.32 3.94 0.50 0.55 3.84 0.12 -4.81 114.94 115.76 1n94 s ASN 233 Ca 0.13 0.18 0.19 0.00 0.21 0.00 0.00 52.86 53.58 1n94 s ASN 233 Cb 0.18 -2.54 1.25 0.00 -0.55 0.00 0.00 41.25 39.58 1n94 s ASN 233 CO 0.55 -3.77 2.03 -1.13 -2.79 0.00 0.00 177.10 171.99 1n94 h ASN 234 N 13.57 0.11 -0.34 -4.21 -1.24 -1.88 -1.58 115.58 120.01 1n94 h ASN 234 Ca -0.03 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.97 1n94 h ASN 234 Cb 1.03 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 40.05 1n94 h ASN 234 CO 1.02 0.07 0.15 0.28 -1.29 0.00 0.00 177.43 177.67 1n94 h SER 235 N 0.13 0.46 -0.81 1.15 0.02 -1.90 -2.31 113.55 110.29 1n94 h SER 235 Ca 0.20 -0.15 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1n94 h SER 235 Cb 0.62 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.00 1n94 h SER 235 CO -0.02 0.48 0.52 0.58 -1.14 0.00 0.00 176.83 177.25 1n94 h VAL 236 N 0.41 1.14 -0.91 2.27 2.07 -1.60 -0.30 116.25 119.34 1n94 h VAL 236 Ca 0.12 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.35 1n94 h VAL 236 Cb 0.15 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 29.88 1n94 h VAL 236 CO -0.01 0.19 0.59 -0.50 0.02 0.00 0.00 177.57 177.86 1n94 h TRP 237 N 1.03 1.06 -0.19 1.57 4.06 -1.27 0.44 115.95 122.65 1n94 h TRP 237 Ca 0.32 0.03 -0.09 0.00 2.06 0.00 0.00 58.89 61.21 1n94 h TRP 237 Cb -0.02 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 27.78 1n94 h TRP 237 CO -0.02 0.55 -0.27 -0.97 -3.56 0.00 0.00 178.44 174.17 1n94 h ASN 238 N 1.04 0.36 -0.40 -3.49 -1.24 -0.62 -2.79 115.58 108.44 1n94 h ASN 238 Ca 0.39 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 57.28 1n94 h ASN 238 Cb 0.20 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 1n94 h ASN 238 CO -0.15 0.62 0.24 -0.61 -1.29 0.00 0.00 177.43 176.24 1n94 h GLN 239 N 0.32 0.54 0.03 6.67 5.75 0.14 -2.90 115.11 125.67 1n94 h GLN 239 Ca 0.05 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1n94 h GLN 239 Cb 0.64 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 29.03 1n94 h GLN 239 CO 0.05 0.41 -0.51 -0.09 -2.65 0.00 0.00 178.83 176.03 1n94 h ARG 240 N 0.52 -0.64 0.00 1.69 2.43 -0.90 0.48 114.38 117.96 1n94 h ARG 240 Ca 0.14 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1n94 h ARG 240 Cb 0.01 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1n94 h ARG 240 CO -0.03 -0.43 0.00 1.58 -1.51 0.00 0.00 179.97 179.59 1n94 n HIS 241 N -5.33 0.00 -0.12 2.20 -0.00 -1.15 -0.53 115.22 110.28 1n94 n HIS 241 Ca -0.07 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.86 1n94 n HIS 241 Cb 0.38 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.17 1n94 n HIS 241 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1n94 n PHE 242 N -0.69 0.00 0.29 1.57 7.35 0.06 -3.71 117.46 122.33 1n94 n PHE 242 Ca 0.01 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.86 1n94 n PHE 242 Cb 0.01 -0.85 0.85 0.00 0.35 0.00 0.00 39.48 39.84 1n94 n PHE 242 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1n94 h VAL 243 N -0.95 0.36 0.00 -2.13 2.07 0.20 -2.69 116.25 113.10 1n94 h VAL 243 Ca -0.53 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1n94 h VAL 243 Cb 1.45 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1n94 h VAL 243 CO -0.32 0.06 -0.58 -0.38 0.02 0.00 0.00 177.57 176.37 1n94 n ILE 244 N -3.46 1.17 0.03 4.57 5.41 -0.25 -3.35 119.36 123.48 1n94 n ILE 244 Ca -0.02 0.25 0.21 0.00 1.00 0.00 0.00 62.75 64.19 1n94 n ILE 244 Cb 0.19 -2.20 0.60 0.00 -0.71 0.00 0.00 39.64 37.52 1n94 n ILE 244 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1n94 h SER 245 N -0.80 0.00 -0.00 4.38 4.64 -1.64 0.57 113.55 120.69 1n94 h SER 245 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n94 h SER 245 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1n94 h SER 245 CO 0.00 0.00 -0.43 0.59 -0.87 0.00 0.00 176.83 176.12 1n94 n ASN 246 N -3.36 2.04 0.02 4.97 4.13 -1.01 -4.25 115.26 117.79 1n94 n ASN 246 Ca 0.11 -1.51 -0.01 0.00 1.68 0.00 0.00 54.58 54.85 1n94 n ASN 246 Cb 0.93 0.42 -0.00 0.00 -1.54 0.00 0.00 39.78 39.58 1n94 n ASN 246 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1n94 n THR 247 N 0.04 0.82 -0.01 3.41 -2.24 0.18 -4.92 114.28 111.57 1n94 n THR 247 Ca 0.10 0.26 0.05 0.00 -2.27 0.00 0.00 64.05 62.19 1n94 n THR 247 Cb 0.47 -1.50 -0.09 0.00 -2.10 0.00 0.00 70.33 67.11 1n94 n THR 247 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1n94 n THR 248 N -3.26 0.03 -0.69 4.28 -2.24 -0.72 -5.08 114.28 106.60 1n94 n THR 248 Ca -0.02 -0.26 0.09 0.00 -2.27 0.00 0.00 64.05 61.59 1n94 n THR 248 Cb 0.06 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 1n94 n THR 248 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n94 n GLY 249 N 1.89 -1.99 0.53 3.38 0.00 -0.03 -4.62 105.19 104.35 1n94 n GLY 249 Ca -0.03 -1.33 0.07 0.00 0.00 0.00 0.00 46.02 44.74 1n94 n GLY 249 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n94 n TYR 250 N -3.04 0.00 -0.13 1.61 4.01 -1.26 -4.42 117.16 113.93 1n94 n TYR 250 Ca -0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.71 1n94 n TYR 250 Cb 0.32 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.57 1n94 n TYR 250 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1n94 h SER 251 N 2.59 0.75 -1.79 7.72 4.64 -1.99 -3.31 113.55 122.17 1n94 h SER 251 Ca 0.00 -0.11 -0.67 0.00 -0.47 0.00 0.00 61.79 60.54 1n94 h SER 251 Cb 0.58 -0.19 0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1n94 h SER 251 CO 0.00 0.70 1.02 -0.67 -0.87 0.00 0.00 176.83 177.00 1n94 n ASP 252 N -4.31 2.95 -0.29 4.97 -0.08 -1.26 -4.81 116.55 113.72 1n94 n ASP 252 Ca 0.04 1.01 0.09 0.00 -1.51 0.00 0.00 54.79 54.43 1n94 n ASP 252 Cb 0.19 -1.26 0.25 0.00 2.34 0.00 0.00 41.12 42.63 1n94 n ASP 252 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1n94 h ARG 253 N 8.36 0.43 -0.37 -0.67 2.47 -1.98 0.36 114.38 122.99 1n94 h ARG 253 Ca -0.47 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.08 1n94 h ARG 253 Cb 1.29 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.51 1n94 h ARG 253 CO 0.96 0.29 -0.33 0.00 0.56 0.00 0.00 179.97 181.44 1n94 h ALA 254 N 1.63 0.53 0.33 0.04 0.00 -1.94 -1.12 119.26 118.73 1n94 h ALA 254 Ca 0.49 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1n94 h ALA 254 Cb 0.84 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1n94 h ALA 254 CO -0.46 0.60 -0.16 0.28 0.00 0.00 0.00 179.25 179.50 1n94 h VAL 255 N 0.67 0.61 -0.31 0.00 2.07 -1.44 0.38 116.25 118.22 1n94 h VAL 255 Ca 0.06 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1n94 h VAL 255 Cb 0.92 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1n94 h VAL 255 CO 0.08 0.11 0.18 0.25 0.02 0.00 0.00 177.57 178.22 1n94 h LEU 256 N -0.84 0.37 0.81 2.57 6.46 -0.44 -1.56 115.31 122.68 1n94 h LEU 256 Ca -0.05 -0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 1n94 h LEU 256 Cb 0.52 -0.09 0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1n94 h LEU 256 CO 0.07 0.29 -0.39 -0.08 -0.62 0.00 0.00 178.44 177.72 1n94 h GLU 257 N 0.43 -1.05 -0.62 1.25 4.22 -1.01 -2.59 114.58 115.21 1n94 h GLU 257 Ca 0.11 0.07 0.10 0.00 0.08 0.00 0.00 59.36 59.73 1n94 h GLU 257 Cb -0.00 0.24 -0.12 0.00 0.50 0.00 0.00 28.75 29.37 1n94 h GLU 257 CO -0.02 -0.69 -0.37 -0.09 -2.18 0.00 0.00 179.01 175.66 1n94 h ARG 258 N -1.22 -0.16 0.69 1.92 2.43 0.42 -1.54 114.38 116.92 1n94 h ARG 258 Ca -0.11 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1n94 h ARG 258 Cb 0.84 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1n94 h ARG 258 CO 0.18 -0.11 -0.38 0.93 -1.51 0.00 0.00 179.97 179.09 1n94 h GLU 259 N -0.17 -0.95 -0.73 0.20 4.39 -1.33 -2.20 114.58 113.79 1n94 h GLU 259 Ca 0.23 0.06 0.14 0.00 0.34 0.00 0.00 59.36 60.13 1n94 h GLU 259 Cb 0.56 0.22 -0.14 0.00 -0.10 0.00 0.00 28.75 29.29 1n94 h GLU 259 CO -0.71 -0.63 -0.27 0.28 -1.16 0.00 0.00 179.01 176.52 1n94 h VAL 260 N -0.99 0.18 0.00 3.13 2.07 -1.28 0.49 116.25 119.85 1n94 h VAL 260 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1n94 h VAL 260 Cb 0.77 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1n94 h VAL 260 CO 0.13 0.00 0.00 1.67 0.02 0.00 0.00 177.57 179.39 1n94 n GLN 261 N -5.48 0.00 -0.31 1.57 -0.06 -0.59 -1.61 117.38 110.90 1n94 n GLN 261 Ca 0.08 0.72 0.01 0.00 -2.00 0.00 0.00 57.00 55.81 1n94 n GLN 261 Cb 0.38 -1.39 0.07 0.00 -4.06 0.00 0.00 30.24 25.24 1n94 n GLN 261 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 1n94 h TYR 262 N 0.00 -0.74 -0.67 3.69 5.03 -0.55 0.64 116.97 124.37 1n94 h TYR 262 Ca 0.00 0.09 0.09 0.00 2.58 0.00 0.00 58.73 61.49 1n94 h TYR 262 Cb 0.00 0.45 -0.11 0.00 1.55 0.00 0.00 36.73 38.62 1n94 h TYR 262 CO -0.42 -0.39 -0.45 1.15 -1.32 0.00 0.00 178.16 176.73 1n94 h THR 263 N -0.03 0.06 -0.93 1.81 2.02 0.36 0.51 112.91 116.71 1n94 h THR 263 Ca 0.37 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.74 1n94 h THR 263 Cb 0.61 0.06 -0.08 0.00 -1.74 0.00 0.00 68.15 67.01 1n94 h THR 263 CO -0.89 0.00 0.60 -0.07 0.37 0.00 0.00 175.52 175.53 1n94 h LEU 264 N -0.18 0.53 0.73 2.58 3.38 0.10 0.94 115.31 123.38 1n94 h LEU 264 Ca 0.19 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1n94 h LEU 264 Cb 0.55 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1n94 h LEU 264 CO -0.75 0.21 -0.48 -0.33 0.09 0.00 0.00 178.44 177.18 1n94 h GLU 265 N 0.53 -1.11 -0.27 1.13 4.39 0.72 0.19 114.58 120.16 1n94 h GLU 265 Ca 0.49 0.08 0.08 0.00 0.34 0.00 0.00 59.36 60.35 1n94 h GLU 265 Cb 1.05 0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1n94 h GLU 265 CO -0.23 -0.74 0.21 0.52 -1.16 0.00 0.00 179.01 177.62 1n94 h MET 266 N -1.15 0.00 0.12 2.33 2.86 -0.13 0.56 114.93 119.52 1n94 h MET 266 Ca -0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1n94 h MET 266 Cb 0.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1n94 h MET 266 CO 0.07 0.00 -0.06 0.82 1.06 0.00 0.00 176.91 178.81 1n94 h ILE 267 N 0.00 1.02 -0.28 -1.22 2.04 0.51 -1.67 117.51 117.91 1n94 h ILE 267 Ca 0.13 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1n94 h ILE 267 Cb 0.55 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1n94 h ILE 267 CO -0.00 0.13 0.08 0.11 0.00 0.00 0.00 178.15 178.47 1n94 h LYS 268 N -0.42 0.45 -0.79 2.37 1.57 0.95 -0.80 116.57 119.91 1n94 h LYS 268 Ca -0.02 -0.10 0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1n94 h LYS 268 Cb 0.34 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1n94 h LYS 268 CO 0.03 0.51 0.52 -0.07 -0.57 0.00 0.00 179.45 179.87 1n94 h LEU 269 N 0.30 0.60 -6.22 2.94 3.38 -0.96 -3.32 115.31 112.02 1n94 h LEU 269 Ca 0.09 0.02 -0.48 0.00 0.09 0.00 0.00 57.88 57.60 1n94 h LEU 269 Cb 0.26 -0.10 -0.34 0.00 0.09 0.00 0.00 40.66 40.57 1n94 h LEU 269 CO -0.00 0.34 -0.83 -0.69 0.09 0.00 0.00 178.44 177.35 1n94 s VAL 270 N -5.61 -0.03 0.58 1.22 1.01 -0.63 -5.03 120.40 111.91 1n94 s VAL 270 Ca -0.09 -1.89 0.34 0.00 0.00 0.00 0.00 61.98 60.33 1n94 s VAL 270 Cb 0.21 -0.93 0.49 0.00 0.00 0.00 0.00 36.38 36.14 1n94 s VAL 270 CO 0.78 -0.89 1.64 -0.65 0.00 0.00 0.00 175.10 175.97 1n94 h PRO 271 N 6.12 0.00 -0.50 2.72 0.11 -1.25 -1.97 132.00 137.23 1n94 h PRO 271 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1n94 h PRO 271 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1n94 h PRO 271 CO 0.26 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.77 1n94 n HIS 272 N -3.71 1.12 -2.20 0.65 8.25 -1.26 -4.84 115.22 113.23 1n94 n HIS 272 Ca 0.23 -0.63 -0.31 0.00 -0.26 0.00 0.00 57.72 56.75 1n94 n HIS 272 Cb 1.30 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 32.17 1n94 n HIS 272 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1n94 s ASN 273 N -1.14 5.54 0.00 0.41 3.84 -0.74 -4.80 114.94 118.05 1n94 s ASN 273 Ca 0.43 -0.89 0.00 0.00 0.21 0.00 0.00 52.86 52.60 1n94 s ASN 273 Cb 0.28 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.42 1n94 s ASN 273 CO 0.20 -2.38 0.33 1.21 -2.79 0.00 0.00 177.10 173.67 1n94 n GLU 274 N 8.87 0.00 -0.10 0.43 2.13 -1.26 -2.01 120.64 128.70 1n94 n GLU 274 Ca 0.38 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 58.04 1n94 n GLU 274 Cb 0.48 -1.36 -0.07 0.00 0.27 0.00 0.00 31.44 30.76 1n94 n GLU 274 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1n94 n SER 275 N -0.82 1.86 -0.29 4.31 7.64 -1.26 -3.26 113.62 121.80 1n94 n SER 275 Ca 0.00 0.48 0.12 0.00 1.01 0.00 0.00 58.87 60.48 1n94 n SER 275 Cb 0.00 -0.89 0.27 0.00 -1.01 0.00 0.00 64.21 62.58 1n94 n SER 275 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n94 h ALA 276 N -0.79 1.23 -0.16 -0.43 0.00 -1.71 0.22 119.26 117.61 1n94 h ALA 276 Ca -0.23 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1n94 h ALA 276 Cb 1.03 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1n94 h ALA 276 CO -0.14 -0.45 -0.07 -1.49 0.00 0.00 0.00 179.25 177.10 1n94 h TRP 277 N 0.21 0.38 0.00 0.00 4.06 -1.73 -1.31 115.95 117.55 1n94 h TRP 277 Ca 0.54 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 61.38 1n94 h TRP 277 Cb 1.06 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 29.13 1n94 h TRP 277 CO -0.28 0.63 -0.08 -0.91 -3.56 0.00 0.00 178.44 174.24 1n94 h ASN 278 N 0.01 0.00 0.72 -3.49 4.21 -0.97 -0.91 115.58 115.15 1n94 h ASN 278 Ca 0.04 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.29 1n94 h ASN 278 Cb 0.53 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.71 1n94 h ASN 278 CO 0.02 0.08 -1.24 0.22 -1.29 0.00 0.00 177.43 175.22 1n94 h TYR 279 N 0.00 0.29 -0.14 1.19 3.20 -0.48 0.79 116.97 121.81 1n94 h TYR 279 Ca -0.00 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 61.63 1n94 h TYR 279 Cb 0.23 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 1n94 h TYR 279 CO 0.00 1.19 -0.04 1.25 -1.64 0.00 0.00 178.16 178.91 1n94 h LEU 280 N 0.04 0.28 -1.18 2.82 5.85 -0.49 -0.90 115.31 121.72 1n94 h LEU 280 Ca -0.12 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 1n94 h LEU 280 Cb 1.91 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 1n94 h LEU 280 CO 0.16 0.60 -0.23 0.50 -0.34 0.00 0.00 178.44 179.14 1n94 h LYS 281 N -0.05 0.00 -0.20 1.25 3.64 -1.28 -3.18 116.57 116.75 1n94 h LYS 281 Ca 0.03 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1n94 h LYS 281 Cb 0.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1n94 h LYS 281 CO 0.02 0.23 -0.22 0.78 -2.27 0.00 0.00 179.45 177.98 1n94 h GLY 282 N 1.94 0.55 -0.80 5.01 0.00 -0.09 -2.45 103.07 107.23 1n94 h GLY 282 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1n94 h GLY 282 CO 0.03 0.52 0.00 0.29 0.00 0.00 0.00 176.54 177.38 1n94 n ILE 283 N -4.42 0.12 -0.04 2.60 -5.35 -0.41 -3.98 119.36 107.88 1n94 n ILE 283 Ca -0.05 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1n94 n ILE 283 Cb 0.42 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 1n94 n ILE 283 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1n94 n LEU 284 N 0.38 0.62 0.13 7.28 4.77 -1.20 -4.78 117.00 124.20 1n94 n LEU 284 Ca 0.17 -0.78 -0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1n94 n LEU 284 Cb 0.37 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.56 1n94 n LEU 284 CO 0.15 0.15 0.44 0.06 -1.33 0.00 0.00 177.39 176.86 1n94 h GLN 285 N 0.00 0.00 0.57 3.23 3.07 -1.56 -3.24 115.11 117.17 1n94 h GLN 285 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1n94 h GLN 285 Cb 0.02 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.59 1n94 h GLN 285 CO 0.00 0.63 -0.27 -0.44 0.09 0.00 0.00 178.83 178.84 1n94 h ASP 286 N 0.00 -0.65 0.15 0.06 5.19 -1.86 -2.78 116.42 116.53 1n94 h ASP 286 Ca -0.01 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1n94 h ASP 286 Cb 1.30 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.98 1n94 h ASP 286 CO 0.08 -0.31 0.00 0.54 -3.12 0.00 0.00 179.24 176.44 1n94 n ARG 287 N -5.33 0.07 0.00 3.56 3.00 -1.26 -4.94 116.66 111.76 1n94 n ARG 287 Ca -0.11 0.51 0.00 0.00 -0.01 0.00 0.00 57.85 58.24 1n94 n ARG 287 Cb 0.34 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 31.08 1n94 n ARG 287 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n94 n GLY 288 N -1.07 0.44 0.11 -0.13 0.00 -1.05 -4.66 105.19 98.83 1n94 n GLY 288 Ca 0.00 -1.67 -0.15 0.00 0.00 0.00 0.00 46.02 44.20 1n94 n GLY 288 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n94 h LEU 289 N 0.00 0.25 -1.02 0.99 3.38 -1.83 -3.32 115.31 113.76 1n94 h LEU 289 Ca 0.00 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1n94 h LEU 289 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1n94 h LEU 289 CO 0.00 1.39 0.38 0.28 0.09 0.00 0.00 178.44 180.57 1n94 h SER 290 N 0.04 0.00 1.13 -0.43 0.02 -1.84 0.33 113.55 112.81 1n94 h SER 290 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1n94 h SER 290 Cb 2.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.55 1n94 h SER 290 CO 0.11 0.00 0.00 -1.14 -1.14 0.00 0.00 176.83 174.66 1n94 n ARG 291 N -2.24 0.17 -3.72 3.45 0.63 -1.25 -4.21 116.66 109.50 1n94 n ARG 291 Ca -0.01 0.22 -0.28 0.00 -0.92 0.00 0.00 57.85 56.86 1n94 n ARG 291 Cb 0.40 -1.73 -0.11 0.00 0.45 0.00 0.00 32.46 31.47 1n94 n ARG 291 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1n94 n TYR 292 N -2.04 1.88 -0.07 -0.14 4.02 0.12 -5.00 117.16 115.92 1n94 n TYR 292 Ca 0.05 -3.98 -0.10 0.00 -0.01 0.00 0.00 57.90 53.87 1n94 n TYR 292 Cb 0.34 -0.33 -0.04 0.00 -0.02 0.00 0.00 39.34 39.30 1n94 n TYR 292 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1n94 h PRO 293 N 5.41 -0.33 -1.43 -0.72 0.13 -1.77 -1.88 132.00 131.41 1n94 h PRO 293 Ca 0.19 0.02 0.42 0.00 -0.87 0.00 0.00 66.00 65.76 1n94 h PRO 293 Cb 0.80 0.08 -0.06 0.00 0.13 0.00 0.00 31.00 31.94 1n94 h PRO 293 CO 0.61 -0.22 1.02 -0.91 -0.23 0.00 0.00 178.00 178.26 1n94 h ASN 294 N -0.34 0.03 -0.60 1.44 2.35 -1.96 0.43 115.58 116.94 1n94 h ASN 294 Ca 0.13 0.01 0.10 0.00 -0.55 0.00 0.00 56.30 55.99 1n94 h ASN 294 Cb 0.57 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.91 1n94 h ASN 294 CO -0.48 -0.01 0.40 0.25 -1.65 0.00 0.00 177.43 175.95 1n94 h LEU 295 N 0.02 0.35 -1.15 1.61 5.85 -1.72 -1.25 115.31 119.03 1n94 h LEU 295 Ca 0.69 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.39 1n94 h LEU 295 Cb 2.71 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 43.67 1n94 h LEU 295 CO -0.04 0.21 -0.17 0.25 -0.34 0.00 0.00 178.44 178.34 1n94 h LEU 296 N 0.38 0.00 0.00 2.25 5.85 -1.08 -3.04 115.31 119.68 1n94 h LEU 296 Ca 0.28 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.89 1n94 h LEU 296 Cb 0.57 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1n94 h LEU 296 CO -0.07 0.17 -0.65 0.78 -0.34 0.00 0.00 178.44 178.32 1n94 h ASN 297 N 0.00 0.00 -0.71 1.25 2.35 -1.37 -3.33 115.58 113.77 1n94 h ASN 297 Ca -0.00 -0.48 0.15 0.00 -0.55 0.00 0.00 56.30 55.42 1n94 h ASN 297 Cb 0.71 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.97 1n94 h ASN 297 CO 0.02 1.11 0.18 1.56 -1.65 0.00 0.00 177.43 178.65 1n94 h GLN 298 N -1.00 0.28 0.00 0.81 7.50 -1.58 0.70 115.11 121.82 1n94 h GLN 298 Ca -0.15 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.98 1n94 h GLN 298 Cb 0.92 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.39 1n94 h GLN 298 CO -0.09 0.18 0.00 1.28 -1.50 0.00 0.00 178.83 178.70 1n94 n LEU 299 N -5.13 0.38 0.11 1.46 4.77 -1.15 -0.87 117.00 116.57 1n94 n LEU 299 Ca 0.13 0.66 0.07 0.00 -0.03 0.00 0.00 56.01 56.84 1n94 n LEU 299 Cb 0.43 -0.68 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1n94 n LEU 299 CO 0.14 -0.73 0.14 -0.07 -1.33 0.00 0.00 177.39 175.55 1n94 h LEU 300 N 0.00 0.00 -1.44 2.23 3.38 0.31 -3.26 115.31 116.53 1n94 h LEU 300 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n94 h LEU 300 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1n94 h LEU 300 CO 0.00 0.25 0.00 0.47 0.09 0.00 0.00 178.44 179.25 1n94 n ASP 301 N -2.91 1.87 -0.00 -0.43 10.43 -0.04 -3.22 116.55 122.25 1n94 n ASP 301 Ca -0.02 -2.17 0.00 0.00 2.57 0.00 0.00 54.79 55.17 1n94 n ASP 301 Cb 0.66 -0.50 -0.01 0.00 1.84 0.00 0.00 41.12 43.12 1n94 n ASP 301 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1n94 n LEU 302 N 0.11 0.04 -0.31 0.64 4.77 -1.23 -4.72 117.00 116.30 1n94 n LEU 302 Ca 0.06 -0.42 0.15 0.00 -0.03 0.00 0.00 56.01 55.76 1n94 n LEU 302 Cb 0.42 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.83 1n94 n LEU 302 CO 0.06 0.01 1.04 1.56 -1.33 0.00 0.00 177.39 178.73 1n94 h GLN 303 N 0.00 0.35 0.00 3.23 1.08 -1.72 -2.00 115.11 116.05 1n94 h GLN 303 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1n94 h GLN 303 Cb 0.03 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1n94 h GLN 303 CO 0.00 0.23 0.00 -2.30 -0.95 0.00 0.00 178.83 175.81 1n94 n PRO 304 N -5.07 0.00 0.00 1.46 -0.02 -1.26 -3.33 135.00 126.78 1n94 n PRO 304 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1n94 n PRO 304 Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.18 1n94 n PRO 304 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1n94 n SER 305 N 0.00 0.81 -0.08 2.55 3.41 -1.26 -2.60 113.62 116.45 1n94 n SER 305 Ca 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 1n94 n SER 305 Cb 0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1n94 n SER 305 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1n94 n HIS 306 N 0.60 0.00 -1.28 7.33 8.25 -0.88 -5.05 115.22 124.20 1n94 n HIS 306 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1n94 n HIS 306 Cb 0.15 0.05 0.10 0.00 1.12 0.00 0.00 29.99 31.41 1n94 n HIS 306 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1n94 n SER 307 N 0.00 0.61 -3.65 0.41 2.88 -0.81 -4.80 113.62 108.27 1n94 n SER 307 Ca 0.00 0.64 -0.04 0.00 -1.33 0.00 0.00 58.87 58.13 1n94 n SER 307 Cb 0.52 -1.44 -0.07 0.00 -0.75 0.00 0.00 64.21 62.47 1n94 n SER 307 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1n94 s SER 308 N -1.78 -0.21 0.33 -3.46 1.04 -1.26 -4.93 113.70 103.43 1n94 s SER 308 Ca 0.73 0.39 0.22 0.00 0.48 0.00 0.00 55.95 57.77 1n94 s SER 308 Cb -0.32 0.50 1.19 0.00 0.10 0.00 0.00 66.02 67.49 1n94 s SER 308 CO 0.51 -0.07 1.67 -0.81 0.98 0.00 0.00 173.24 175.52 1n94 n PRO 309 N 2.05 0.14 0.15 4.02 -0.04 -1.26 0.63 135.00 140.69 1n94 n PRO 309 Ca -0.12 0.64 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 1n94 n PRO 309 Cb 0.57 -1.98 0.51 0.00 -0.04 0.00 0.00 33.50 32.56 1n94 n PRO 309 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1n94 h TYR 310 N 0.00 0.00 0.00 0.54 0.05 -1.94 -2.75 116.97 112.87 1n94 h TYR 310 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1n94 h TYR 310 Cb 0.02 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 1n94 h TYR 310 CO 0.00 0.00 -0.86 -0.11 -1.05 0.00 0.00 178.16 176.14 1n94 n LEU 311 N -2.38 1.89 -0.19 3.88 0.00 0.20 -3.57 117.00 116.84 1n94 n LEU 311 Ca 0.02 0.44 0.08 0.00 0.00 0.00 0.00 56.01 56.55 1n94 n LEU 311 Cb 0.26 -0.79 0.16 0.00 0.00 0.00 0.00 43.42 43.04 1n94 n LEU 311 CO 0.22 -0.32 0.43 -0.38 0.00 0.00 0.00 177.39 177.34 1n94 n ILE 312 N -4.51 -0.23 -0.03 1.96 2.08 -0.97 0.94 119.36 118.59 1n94 n ILE 312 Ca -0.13 1.20 -0.14 0.00 0.56 0.00 0.00 62.75 64.25 1n94 n ILE 312 Cb 0.44 -1.75 -0.09 0.00 -0.75 0.00 0.00 39.64 37.48 1n94 n ILE 312 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1n94 h ALA 313 N 1.09 0.09 -0.54 -1.39 0.00 -1.68 -2.83 119.26 113.99 1n94 h ALA 313 Ca 0.33 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1n94 h ALA 313 Cb 0.67 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 1n94 h ALA 313 CO -0.51 -0.00 -0.16 0.35 0.00 0.00 0.00 179.25 178.92 1n94 h PHE 314 N -0.31 -0.36 0.09 0.00 3.04 0.51 0.74 116.94 120.65 1n94 h PHE 314 Ca -0.00 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1n94 h PHE 314 Cb 0.74 0.24 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 1n94 h PHE 314 CO 0.12 -0.26 -0.25 -0.07 -2.02 0.00 0.00 178.31 175.83 1n94 h LEU 315 N -0.03 -0.75 -0.93 0.59 3.38 -1.38 0.70 115.31 116.90 1n94 h LEU 315 Ca 0.26 0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.50 1n94 h LEU 315 Cb 0.42 0.27 -0.18 0.00 0.09 0.00 0.00 40.66 41.27 1n94 h LEU 315 CO -0.57 -0.28 -0.20 0.58 0.09 0.00 0.00 178.44 178.06 1n94 h VAL 316 N -0.38 0.07 -0.43 1.22 2.07 -0.90 1.49 116.25 119.40 1n94 h VAL 316 Ca -0.01 -0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1n94 h VAL 316 Cb 0.37 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.14 1n94 h VAL 316 CO -0.12 0.00 -0.02 0.44 0.02 0.00 0.00 177.57 177.89 1n94 h ASP 317 N 0.00 -0.21 0.17 0.57 3.32 0.21 0.13 116.42 120.61 1n94 h ASP 317 Ca 0.46 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1n94 h ASP 317 Cb 0.74 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1n94 h ASP 317 CO -0.94 -0.07 -0.16 0.40 -1.72 0.00 0.00 179.24 176.75 1n94 h ILE 318 N 0.09 0.64 -0.15 0.35 2.04 0.79 -1.32 117.51 119.96 1n94 h ILE 318 Ca 0.21 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.12 1n94 h ILE 318 Cb 0.31 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1n94 h ILE 318 CO -0.37 0.00 0.15 1.88 0.00 0.00 0.00 178.15 179.81 1n94 h TYR 319 N -0.36 0.00 0.33 1.37 0.05 0.88 -0.34 116.97 118.90 1n94 h TYR 319 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1n94 h TYR 319 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1n94 h TYR 319 CO -0.13 0.00 -0.16 0.93 -1.05 0.00 0.00 178.16 177.75 1n94 h GLU 320 N 0.00 -0.42 -0.04 4.88 5.08 0.33 -0.09 114.58 124.31 1n94 h GLU 320 Ca 0.07 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1n94 h GLU 320 Cb 0.38 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1n94 h GLU 320 CO -0.00 -0.10 0.03 0.22 -1.00 0.00 0.00 179.01 178.16 1n94 h ASP 321 N -0.82 0.00 -0.38 1.42 3.58 -0.58 -0.67 116.42 118.97 1n94 h ASP 321 Ca -0.04 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.27 1n94 h ASP 321 Cb 0.52 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 1n94 h ASP 321 CO 0.07 0.00 -0.29 0.24 -2.88 0.00 0.00 179.24 176.38 1n94 h MET 322 N 0.00 0.87 0.00 0.28 2.86 -0.85 -2.16 114.93 115.93 1n94 h MET 322 Ca 0.02 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1n94 h MET 322 Cb 0.08 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1n94 h MET 322 CO -0.00 1.07 0.00 1.28 1.06 0.00 0.00 176.91 180.32 1n94 n LEU 323 N -4.16 0.00 -0.75 1.22 4.77 -0.07 -1.54 117.00 116.48 1n94 n LEU 323 Ca -0.02 0.16 0.08 0.00 -0.03 0.00 0.00 56.01 56.21 1n94 n LEU 323 Cb 0.49 -0.16 0.12 0.00 -2.33 0.00 0.00 43.42 41.53 1n94 n LEU 323 CO 0.47 -0.09 0.57 -0.62 -1.33 0.00 0.00 177.39 176.39 1n94 n GLU 324 N -1.16 1.76 -3.58 3.23 -0.58 -0.82 -4.79 120.64 114.69 1n94 n GLU 324 Ca 0.09 -1.74 -0.29 0.00 -0.42 0.00 0.00 57.16 54.80 1n94 n GLU 324 Cb 0.09 -1.34 -0.14 0.00 -0.57 0.00 0.00 31.44 29.47 1n94 n GLU 324 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1n94 s ASN 325 N -1.26 3.54 -0.08 1.62 -0.87 -0.59 -5.06 114.94 112.24 1n94 s ASN 325 Ca 0.24 -1.66 -0.02 0.00 -1.57 0.00 0.00 52.86 49.85 1n94 s ASN 325 Cb 0.15 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.25 40.83 1n94 s ASN 325 CO 0.22 -0.39 0.21 0.00 -2.57 0.00 0.00 177.10 174.56 1n94 n GLN 326 N 4.78 0.00 -4.33 -0.60 1.13 -1.26 -4.85 117.38 112.24 1n94 n GLN 326 Ca -0.00 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.81 1n94 n GLN 326 Cb 0.40 -0.11 -0.08 0.00 0.11 0.00 0.00 30.24 30.56 1n94 n GLN 326 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n94 s ASP 328 N -3.73 7.51 0.00 0.00 -1.08 -1.26 -3.37 116.67 114.74 1n94 s ASP 328 Ca 0.35 1.87 0.00 0.00 -0.52 0.00 0.00 52.55 54.25 1n94 s ASP 328 Cb 0.01 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1n94 s ASP 328 CO 0.20 -0.03 0.00 0.59 0.52 0.00 0.00 175.17 176.45 1n94 n ASN 329 N 2.43 -1.84 -0.42 -0.34 5.03 -1.26 -4.88 115.26 113.98 1n94 n ASN 329 Ca 0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.46 1n94 n ASN 329 Cb 0.48 -0.46 0.00 0.00 -1.02 0.00 0.00 39.78 38.78 1n94 n ASN 329 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1n94 n LYS 330 N -0.47 0.29 0.00 3.52 4.81 -1.22 -0.88 118.16 124.22 1n94 n LYS 330 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1n94 n LYS 330 Cb 0.46 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.39 1n94 n LYS 330 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1n94 n GLU 331 N 0.21 3.90 0.06 1.64 -0.00 -1.26 -4.66 120.64 120.53 1n94 n GLU 331 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.16 57.07 1n94 n GLU 331 Cb 0.06 -0.55 -0.13 0.00 -0.00 0.00 0.00 31.44 30.82 1n94 n GLU 331 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1n94 h ASP 332 N 0.00 0.07 0.06 -1.84 3.58 -1.38 -3.35 116.42 113.56 1n94 h ASP 332 Ca 0.00 -0.09 -0.15 0.00 0.42 0.00 0.00 57.03 57.21 1n94 h ASP 332 Cb 0.03 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1n94 h ASP 332 CO 0.00 1.07 -0.76 0.40 -2.88 0.00 0.00 179.24 177.06 1n94 h ILE 333 N 0.01 1.37 0.00 2.25 1.08 -1.81 -2.76 117.51 117.66 1n94 h ILE 333 Ca -0.07 -2.36 0.00 0.00 -0.39 0.00 0.00 64.86 62.03 1n94 h ILE 333 Cb 1.84 2.95 0.00 0.00 -3.07 0.00 0.00 36.82 38.54 1n94 h ILE 333 CO 0.13 0.59 0.51 -0.11 -0.69 0.00 0.00 178.15 178.59 1n94 n LEU 334 N -4.31 0.11 -0.00 1.44 7.94 -1.26 -0.02 117.00 120.90 1n94 n LEU 334 Ca -0.19 0.31 -0.00 0.00 -1.11 0.00 0.00 56.01 55.02 1n94 n LEU 334 Cb 0.69 -0.19 -0.00 0.00 0.53 0.00 0.00 43.42 44.45 1n94 n LEU 334 CO 0.36 -0.35 -0.52 0.59 -1.11 0.00 0.00 177.39 176.36 1n94 n ASN 335 N -1.67 4.22 0.28 1.96 3.02 -1.25 -3.76 115.26 118.06 1n94 n ASN 335 Ca -0.00 -0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.72 1n94 n ASN 335 Cb 0.52 0.14 0.89 0.00 -0.61 0.00 0.00 39.78 40.72 1n94 n ASN 335 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1n94 h LYS 336 N 0.00 0.00 0.00 3.52 3.64 -0.13 0.36 116.57 123.96 1n94 h LYS 336 Ca -0.01 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.95 1n94 h LYS 336 Cb 1.02 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.78 1n94 h LYS 336 CO -0.00 0.00 -2.39 0.00 -2.27 0.00 0.00 179.45 174.79 1n94 n ALA 337 N -2.06 1.40 0.18 5.00 0.00 0.44 -3.77 120.51 121.70 1n94 n ALA 337 Ca -0.00 -0.99 0.19 0.00 0.00 0.00 0.00 53.44 52.63 1n94 n ALA 337 Cb 0.35 0.15 0.79 0.00 0.00 0.00 0.00 19.45 20.73 1n94 n ALA 337 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1n94 h LEU 338 N -0.78 0.00 0.13 0.00 3.38 -1.49 0.47 115.31 117.02 1n94 h LEU 338 Ca -0.62 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1n94 h LEU 338 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1n94 h LEU 338 CO -0.35 0.00 -0.06 -0.08 0.09 0.00 0.00 178.44 178.04 1n94 h GLU 339 N 0.00 -0.16 0.00 1.13 4.81 -0.48 -3.13 114.58 116.74 1n94 h GLU 339 Ca 0.12 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1n94 h GLU 339 Cb 0.85 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1n94 h GLU 339 CO -0.00 0.27 0.02 -0.07 -0.73 0.00 0.00 179.01 178.50 1n94 h LEU 340 N -0.68 0.00 -0.44 1.64 3.38 -0.20 0.71 115.31 119.71 1n94 h LEU 340 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1n94 h LEU 340 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1n94 h LEU 340 CO 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.44 1n94 h GLU 342 N 0.00 -0.33 -0.92 0.00 4.39 -0.93 -2.63 114.58 114.16 1n94 h GLU 342 Ca -0.00 0.02 0.27 0.00 0.34 0.00 0.00 59.36 59.99 1n94 h GLU 342 Cb 0.94 0.08 -0.17 0.00 -0.10 0.00 0.00 28.75 29.49 1n94 h GLU 342 CO 0.02 -0.22 0.08 -0.89 -1.16 0.00 0.00 179.01 176.84 1n94 n ILE 343 N -3.62 -0.39 0.00 3.13 5.41 -1.23 -0.49 119.36 122.17 1n94 n ILE 343 Ca -0.04 2.01 0.00 0.00 1.00 0.00 0.00 62.75 65.72 1n94 n ILE 343 Cb 0.14 -2.97 0.00 0.00 -0.71 0.00 0.00 39.64 36.09 1n94 n ILE 343 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1n94 n LEU 344 N -5.32 0.00 -0.16 1.39 4.77 -1.21 0.20 117.00 116.67 1n94 n LEU 344 Ca 0.23 0.84 0.17 0.00 -0.03 0.00 0.00 56.01 57.22 1n94 n LEU 344 Cb 0.77 -0.34 0.53 0.00 -2.33 0.00 0.00 43.42 42.05 1n94 n LEU 344 CO -0.06 -0.34 1.21 0.00 -1.33 0.00 0.00 177.39 176.87 1n94 h ALA 345 N -1.95 2.18 0.00 -1.18 0.00 -0.94 -1.08 119.26 116.29 1n94 h ALA 345 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n94 h ALA 345 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1n94 h ALA 345 CO 0.00 -0.39 -1.80 1.63 0.00 0.00 0.00 179.25 178.69 1n94 n LYS 346 N -4.47 0.53 0.00 0.00 5.02 0.35 -4.28 118.16 115.32 1n94 n LYS 346 Ca 0.15 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1n94 n LYS 346 Cb 0.57 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1n94 n LYS 346 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1n94 n GLU 347 N -2.11 0.00 -0.36 1.97 0.00 0.54 -4.86 120.64 115.82 1n94 n GLU 347 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.14 1n94 n GLU 347 Cb 0.46 0.00 0.16 0.00 0.00 0.00 0.00 31.44 32.06 1n94 n GLU 347 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1n94 h LYS 348 N 0.00 1.12 -2.09 5.31 1.57 -0.96 -3.32 116.57 118.21 1n94 h LYS 348 Ca 0.00 -0.07 -0.52 0.00 -1.87 0.00 0.00 60.65 58.19 1n94 h LYS 348 Cb 0.00 -0.25 -0.41 0.00 0.08 0.00 0.00 32.23 31.65 1n94 h LYS 348 CO 0.00 0.74 -1.02 -3.47 -0.57 0.00 0.00 179.45 175.13 1n94 n ASP 349 N -4.51 1.90 -0.18 0.86 2.03 -0.48 -4.88 116.55 111.28 1n94 n ASP 349 Ca 0.14 -3.20 -0.04 0.00 0.52 0.00 0.00 54.79 52.22 1n94 n ASP 349 Cb 0.16 -0.61 0.14 0.00 -0.72 0.00 0.00 41.12 40.10 1n94 n ASP 349 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1n94 h THR 350 N 1.67 1.24 -0.83 5.18 1.35 -1.48 -2.92 112.91 117.12 1n94 h THR 350 Ca 0.11 -0.84 0.19 0.00 -0.55 0.00 0.00 66.41 65.32 1n94 h THR 350 Cb 0.82 0.57 -0.05 0.00 -1.73 0.00 0.00 68.15 67.76 1n94 h THR 350 CO 0.60 0.32 0.56 -0.29 -0.25 0.00 0.00 175.52 176.46 1n94 h ILE 351 N 0.92 0.69 -0.47 6.82 2.10 -1.87 1.34 117.51 127.05 1n94 h ILE 351 Ca 0.20 -0.11 -0.13 0.00 1.08 0.00 0.00 64.86 65.91 1n94 h ILE 351 Cb 0.29 0.35 -0.08 0.00 -1.09 0.00 0.00 36.82 36.29 1n94 h ILE 351 CO -0.01 0.06 0.16 0.54 -1.08 0.00 0.00 178.15 177.82 1n94 n ARG 352 N -4.46 2.83 0.14 2.19 1.74 -1.10 -4.47 116.66 113.54 1n94 n ARG 352 Ca 0.17 -1.96 -0.14 0.00 -0.77 0.00 0.00 57.85 55.15 1n94 n ARG 352 Cb 0.68 -1.90 -0.06 0.00 -1.02 0.00 0.00 32.46 30.17 1n94 n ARG 352 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1n94 h LYS 353 N 1.80 -0.54 -0.94 5.56 2.10 0.17 -1.33 116.57 123.40 1n94 h LYS 353 Ca 0.16 0.04 0.26 0.00 -2.00 0.00 0.00 60.65 59.10 1n94 h LYS 353 Cb 1.73 0.12 -0.14 0.00 -0.90 0.00 0.00 32.23 33.05 1n94 h LYS 353 CO 0.46 -0.36 0.43 1.49 -2.00 0.00 0.00 179.45 179.47 1n94 h GLU 354 N -0.56 0.34 0.63 0.07 4.57 -1.79 0.21 114.58 118.05 1n94 h GLU 354 Ca 0.01 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1n94 h GLU 354 Cb 0.56 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1n94 h GLU 354 CO -0.13 0.23 -0.30 -0.92 -1.18 0.00 0.00 179.01 176.70 1n94 h TYR 355 N 0.35 -0.79 -0.80 0.92 3.20 -1.73 -3.21 116.97 114.92 1n94 h TYR 355 Ca 0.62 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.65 1n94 h TYR 355 Cb 1.28 0.26 -0.11 0.00 1.54 0.00 0.00 36.73 39.70 1n94 h TYR 355 CO -0.12 -0.48 0.28 -1.49 -1.64 0.00 0.00 178.16 174.71 1n94 h TRP 356 N -1.22 0.46 0.00 -3.82 -0.00 -0.41 0.40 115.95 111.37 1n94 h TRP 356 Ca -0.09 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.84 1n94 h TRP 356 Cb 0.66 -0.08 0.00 0.00 -0.00 0.00 0.00 29.16 29.74 1n94 h TRP 356 CO 0.00 -0.03 0.00 0.54 -0.00 0.00 0.00 178.44 178.95 1n94 n ARG 357 N -5.08 0.27 0.00 0.49 5.12 0.65 -0.59 116.66 117.52 1n94 n ARG 357 Ca 0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 1n94 n ARG 357 Cb 0.51 -1.13 0.00 0.00 -1.16 0.00 0.00 32.46 30.68 1n94 n ARG 357 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1n94 n TYR 358 N 0.36 0.00 -0.16 -1.55 9.36 0.14 -4.28 117.16 121.03 1n94 n TYR 358 Ca 0.00 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.12 1n94 n TYR 358 Cb 0.07 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 38.77 1n94 n TYR 358 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1n94 h ILE 359 N 0.00 1.27 0.49 2.97 1.08 -0.49 0.28 117.51 123.10 1n94 h ILE 359 Ca 0.00 -1.12 -0.02 0.00 -0.39 0.00 0.00 64.86 63.34 1n94 h ILE 359 Cb 0.50 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1n94 h ILE 359 CO 0.00 0.39 -0.41 1.23 -0.69 0.00 0.00 178.15 178.67 1n94 h GLY 360 N 0.69 -1.16 0.28 5.37 0.00 -1.28 -0.81 103.07 106.17 1n94 h GLY 360 Ca 0.13 0.51 0.02 0.00 0.00 0.00 0.00 47.33 47.99 1n94 h GLY 360 CO 0.03 -0.37 -0.44 3.21 0.00 0.00 0.00 176.54 178.98 1n94 h ARG 361 N -0.87 -0.67 -0.59 4.80 3.08 -1.72 -2.05 114.38 116.37 1n94 h ARG 361 Ca -0.06 0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.09 1n94 h ARG 361 Cb 0.73 0.15 -0.09 0.00 0.08 0.00 0.00 29.97 30.84 1n94 h ARG 361 CO -0.00 -0.44 -0.57 1.03 -1.07 0.00 0.00 179.97 178.91 1n94 h SER 362 N -0.69 -1.95 -0.97 7.04 0.87 -0.40 0.52 113.55 117.96 1n94 h SER 362 Ca 0.01 0.27 0.16 0.00 -1.23 0.00 0.00 61.79 61.01 1n94 h SER 362 Cb 0.70 0.82 -0.10 0.00 -0.44 0.00 0.00 62.40 63.39 1n94 h SER 362 CO -0.23 -0.35 0.58 -0.07 -0.53 0.00 0.00 176.83 176.23 1n94 h LEU 363 N -0.28 0.77 0.37 2.23 3.38 -0.94 -2.16 115.31 118.68 1n94 h LEU 363 Ca 0.10 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1n94 h LEU 363 Cb 0.54 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1n94 h LEU 363 CO -0.70 0.32 -0.18 1.56 0.09 0.00 0.00 178.44 179.53 1n94 h GLN 364 N 0.79 -0.47 -0.12 1.13 4.20 -0.47 -2.78 115.11 117.40 1n94 h GLN 364 Ca 0.54 0.03 0.03 0.00 0.06 0.00 0.00 58.65 59.31 1n94 h GLN 364 Cb 0.75 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 1n94 h GLN 364 CO -0.35 -0.18 0.93 1.03 -0.67 0.00 0.00 178.83 179.60 1n94 h SER 365 N -0.99 0.00 0.00 1.46 0.87 0.61 0.14 113.55 115.64 1n94 h SER 365 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1n94 h SER 365 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1n94 h SER 365 CO 0.08 0.00 -0.13 2.29 -0.53 0.00 0.00 176.83 178.55 1n94 n LYS 366 N -2.65 1.14 -3.23 2.24 2.85 -0.94 -4.93 118.16 112.64 1n94 n LYS 366 Ca 0.02 -1.58 -0.17 0.00 -1.05 0.00 0.00 58.31 55.53 1n94 n LYS 366 Cb 0.98 -0.96 -0.06 0.00 -0.65 0.00 0.00 35.03 34.33 1n94 n LYS 366 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1n94 s HIS 367 N -1.23 -0.13 0.24 5.58 3.76 0.51 -5.06 115.29 118.95 1n94 s HIS 367 Ca 0.11 -1.28 -0.17 0.00 -0.15 0.00 0.00 55.06 53.57 1n94 s HIS 367 Cb 0.10 -0.41 0.06 0.00 1.11 0.00 0.00 32.58 33.44 1n94 s HIS 367 CO 0.01 -0.99 0.82 0.43 -0.85 0.00 0.00 174.74 174.16 1n94 n SER 368 N 3.46 -1.73 0.00 1.40 7.64 -1.26 -4.74 113.62 118.40 1n94 n SER 368 Ca 0.19 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 58.03 1n94 n SER 368 Cb 0.48 2.85 0.00 0.00 -1.01 0.00 0.00 64.21 66.53 1n94 n SER 368 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92