#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f s GLU 2 N 0.00 0.61 -0.02 2.12 -1.05 -1.26 -3.64 118.70 115.45 3i8f s GLU 2 Ca 0.00 -0.59 0.06 0.00 -0.15 0.00 0.00 54.97 54.29 3i8f s GLU 2 Cb 0.00 -0.50 -0.01 0.00 -0.44 0.00 0.00 34.13 33.17 3i8f s GLU 2 CO 0.00 0.12 -0.20 0.00 0.95 0.00 0.00 175.26 176.13 3i8f s ALA 3 N -0.86 1.70 0.43 -0.84 0.00 -0.43 -4.95 121.76 116.82 3i8f s ALA 3 Ca -0.03 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.14 3i8f s ALA 3 Cb -0.07 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.59 3i8f s ALA 3 CO 0.00 0.40 0.49 0.15 0.00 0.00 0.00 175.76 176.81 3i8f s LYS 4 N -0.38 2.64 -0.30 0.00 1.02 -1.26 -0.70 119.74 120.76 3i8f s LYS 4 Ca 0.05 -1.42 -0.15 0.00 0.02 0.00 0.00 55.97 54.47 3i8f s LYS 4 Cb -0.09 -2.56 0.16 0.00 -0.52 0.00 0.00 37.83 34.82 3i8f s LYS 4 CO -0.00 -0.29 0.96 0.00 -0.92 0.00 0.00 175.35 175.10 3i8f s ALA 5 N -2.44 -2.60 -0.08 5.17 0.00 -1.01 -4.72 121.76 116.09 3i8f s ALA 5 Ca 0.52 2.10 0.01 0.00 0.00 0.00 0.00 51.96 54.58 3i8f s ALA 5 Cb -0.06 -1.98 0.02 0.00 0.00 0.00 0.00 23.12 21.09 3i8f s ALA 5 CO 0.31 -0.86 -0.08 0.42 0.00 0.00 0.00 175.76 175.54 3i8f s ILE 6 N 2.32 0.93 -0.50 0.00 1.01 -1.26 -1.97 121.20 121.73 3i8f s ILE 6 Ca -0.04 -0.30 -0.18 0.00 0.00 0.00 0.00 60.65 60.13 3i8f s ILE 6 Cb -0.06 -0.91 0.06 0.00 0.01 0.00 0.00 42.46 41.56 3i8f s ILE 6 CO -0.17 0.33 0.58 0.00 0.00 0.00 0.00 174.94 175.67 3i8f s ALA 7 N 1.19 3.42 -0.01 9.38 0.00 0.90 -4.93 121.76 131.71 3i8f s ALA 7 Ca -0.05 -1.82 -0.15 0.00 0.00 0.00 0.00 51.96 49.94 3i8f s ALA 7 Cb -0.14 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 3i8f s ALA 7 CO -0.02 -1.95 0.40 1.03 0.00 0.00 0.00 175.76 175.22 3i8f s ARG 8 N 2.43 3.94 -0.78 0.00 0.52 -1.26 0.06 118.95 123.85 3i8f s ARG 8 Ca 0.13 0.40 -0.05 0.00 -0.52 0.00 0.00 55.73 55.69 3i8f s ARG 8 Cb -0.20 -3.23 0.01 0.00 0.52 0.00 0.00 34.95 32.04 3i8f s ARG 8 CO 0.11 0.66 0.68 0.66 0.02 0.00 0.00 175.30 177.43 3i8f n TYR 9 N 1.95 -1.67 -2.61 -0.53 0.53 -0.13 -4.96 117.16 109.74 3i8f n TYR 9 Ca -0.14 0.59 -0.43 0.00 -1.02 0.00 0.00 57.90 56.90 3i8f n TYR 9 Cb 0.52 -3.33 -0.02 0.00 -1.03 0.00 0.00 39.34 35.48 3i8f n TYR 9 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3i8f s VAL 10 N -3.18 4.53 -1.09 -0.72 1.01 0.32 -4.73 120.40 116.54 3i8f s VAL 10 Ca 0.34 1.80 -0.24 0.00 0.00 0.00 0.00 61.98 63.88 3i8f s VAL 10 Cb -0.15 -4.33 -0.11 0.00 0.00 0.00 0.00 36.38 31.79 3i8f s VAL 10 CO 0.42 -0.34 2.00 -0.60 0.00 0.00 0.00 175.10 176.59 3i8f s ARG 11 N 3.50 2.18 -0.07 2.72 3.00 -1.26 0.34 118.95 129.36 3i8f s ARG 11 Ca 0.46 -0.75 -0.30 0.00 -1.00 0.00 0.00 55.73 54.14 3i8f s ARG 11 Cb -0.14 -5.13 0.09 0.00 0.00 0.00 0.00 34.95 29.77 3i8f s ARG 11 CO 0.12 -4.21 0.79 -1.50 0.00 0.00 0.00 175.30 170.50 3i8f s ILE 12 N 12.31 0.00 -0.17 4.11 2.07 -1.06 -4.98 121.20 133.49 3i8f s ILE 12 Ca 0.73 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.68 3i8f s ILE 12 Cb -0.03 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.55 3i8f s ILE 12 CO 0.11 0.00 1.06 -0.55 -1.91 0.00 0.00 174.94 173.65 3i8f s SER 13 N -1.30 7.14 0.10 4.50 0.15 -1.26 -3.18 113.70 119.85 3i8f s SER 13 Ca -0.07 1.49 -0.19 0.00 0.70 0.00 0.00 55.95 57.88 3i8f s SER 13 Cb -0.00 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 3i8f s SER 13 CO 0.05 -0.59 1.29 -2.65 1.20 0.00 0.00 173.24 172.54 3i8f n PRO 14 N 5.76 -0.27 -0.40 5.44 -0.02 -1.26 -0.17 135.00 144.08 3i8f n PRO 14 Ca 0.11 1.27 0.35 0.00 -2.02 0.00 0.00 63.50 63.21 3i8f n PRO 14 Cb 0.47 -1.87 0.62 0.00 -0.02 0.00 0.00 33.50 32.70 3i8f n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8f h ARG 15 N 0.00 0.05 -0.04 -0.52 3.08 -1.97 0.23 114.38 115.21 3i8f h ARG 15 Ca 0.10 -0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.92 3i8f h ARG 15 Cb 0.26 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.31 3i8f h ARG 15 CO -0.59 0.03 -0.87 0.87 -1.07 0.00 0.00 179.97 178.34 3i8f h LYS 16 N 0.05 0.66 0.23 0.04 1.57 -0.96 -3.23 116.57 114.92 3i8f h LYS 16 Ca 0.84 -0.66 -0.33 0.00 -1.87 0.00 0.00 60.65 58.64 3i8f h LYS 16 Cb 2.45 0.17 0.03 0.00 0.08 0.00 0.00 32.23 34.96 3i8f h LYS 16 CO -0.59 1.26 -1.50 0.28 -0.57 0.00 0.00 179.45 178.33 3i8f h VAL 17 N 0.31 1.26 -0.84 0.50 2.07 -0.36 -3.16 116.25 116.03 3i8f h VAL 17 Ca -0.10 -2.73 0.21 0.00 0.82 0.00 0.00 66.70 64.90 3i8f h VAL 17 Cb 1.53 2.99 -0.05 0.00 -1.52 0.00 0.00 31.29 34.24 3i8f h VAL 17 CO 0.17 0.83 0.57 -0.09 0.02 0.00 0.00 177.57 179.07 3i8f h ARG 18 N 0.13 0.24 -0.74 1.57 2.43 -0.82 0.23 114.38 117.43 3i8f h ARG 18 Ca -0.25 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.02 3i8f h ARG 18 Cb 2.14 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 31.55 3i8f h ARG 18 CO 0.25 0.16 0.34 1.25 -1.51 0.00 0.00 179.97 180.46 3i8f h LEU 19 N 0.25 0.39 0.13 3.80 5.85 -1.56 -0.57 115.31 123.60 3i8f h LEU 19 Ca 0.42 0.08 -0.28 0.00 0.84 0.00 0.00 57.88 58.95 3i8f h LEU 19 Cb 1.25 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3i8f h LEU 19 CO -0.10 0.19 -1.37 -0.37 -0.34 0.00 0.00 178.44 176.45 3i8f h VAL 20 N 0.53 1.10 -0.82 1.05 -1.51 -0.75 -3.31 116.25 112.54 3i8f h VAL 20 Ca 0.38 -2.44 0.20 0.00 -1.23 0.00 0.00 66.70 63.61 3i8f h VAL 20 Cb 0.50 2.80 -0.14 0.00 -2.13 0.00 0.00 31.29 32.32 3i8f h VAL 20 CO -0.33 0.73 0.08 0.58 -1.23 0.00 0.00 177.57 177.39 3i8f h VAL 21 N -0.25 0.30 -0.41 7.19 2.07 -0.98 2.30 116.25 126.47 3i8f h VAL 21 Ca -0.28 -0.04 0.12 0.00 0.82 0.00 0.00 66.70 67.31 3i8f h VAL 21 Cb 1.80 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 3i8f h VAL 21 CO 0.09 0.02 0.55 0.44 0.02 0.00 0.00 177.57 178.70 3i8f h ASP 22 N 0.13 0.00 0.19 0.57 3.45 -1.19 -2.18 116.42 117.39 3i8f h ASP 22 Ca 0.47 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.93 3i8f h ASP 22 Cb 0.89 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.66 3i8f h ASP 22 CO -0.69 0.00 -0.09 0.25 -1.57 0.00 0.00 179.24 177.14 3i8f h LEU 23 N 0.00 -0.21 -0.22 1.55 5.85 0.38 -3.31 115.31 119.33 3i8f h LEU 23 Ca 0.20 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3i8f h LEU 23 Cb 1.30 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3i8f h LEU 23 CO -0.00 0.26 0.00 0.16 -0.34 0.00 0.00 178.44 178.51 3i8f h ILE 24 N -0.75 0.00 -2.08 4.05 3.07 -1.37 -3.47 117.51 116.96 3i8f h ILE 24 Ca -0.03 -0.43 -0.62 0.00 1.55 0.00 0.00 64.86 65.33 3i8f h ILE 24 Cb 0.51 1.36 0.04 0.00 -0.27 0.00 0.00 36.82 38.46 3i8f h ILE 24 CO 0.04 0.00 0.85 -1.14 -1.05 0.00 0.00 178.15 176.85 3i8f n ARG 25 N -2.31 1.96 -0.88 0.16 0.63 -1.05 -1.38 116.66 113.79 3i8f n ARG 25 Ca 0.04 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.69 3i8f n ARG 25 Cb 0.38 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 30.81 3i8f n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i8f n GLY 26 N 3.63 0.90 3.96 5.14 0.00 -0.80 -5.04 105.19 112.97 3i8f n GLY 26 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 3i8f n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f s LYS 27 N -0.12 2.98 0.43 1.61 1.02 -0.48 -4.80 119.74 120.39 3i8f s LYS 27 Ca 0.00 -1.11 -0.23 0.00 0.02 0.00 0.00 55.97 54.64 3i8f s LYS 27 Cb 0.00 -2.72 -0.08 0.00 -0.52 0.00 0.00 37.83 34.50 3i8f s LYS 27 CO 0.00 0.03 1.09 -1.54 -0.92 0.00 0.00 175.35 174.01 3i8f s SER 28 N -4.15 6.50 0.59 2.83 1.04 -1.26 -1.01 113.70 118.24 3i8f s SER 28 Ca 0.45 2.11 0.29 0.00 0.48 0.00 0.00 55.95 59.28 3i8f s SER 28 Cb -0.08 -2.59 1.46 0.00 0.10 0.00 0.00 66.02 64.91 3i8f s SER 28 CO 0.30 -0.68 1.88 0.25 0.98 0.00 0.00 173.24 175.97 3i8f h LEU 29 N 2.21 0.00 0.33 2.42 5.85 -1.84 0.26 115.31 124.53 3i8f h LEU 29 Ca -0.49 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 3i8f h LEU 29 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3i8f h LEU 29 CO 0.61 0.00 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.47 3i8f h GLU 30 N 0.00 -0.43 -0.54 1.25 4.81 -1.90 -2.81 114.58 114.97 3i8f h GLU 30 Ca 0.22 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.58 3i8f h GLU 30 Cb 1.22 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.60 3i8f h GLU 30 CO -0.00 -0.28 -0.04 0.93 -0.73 0.00 0.00 179.01 178.88 3i8f h GLU 31 N -0.72 0.08 0.00 1.92 5.08 -1.41 -2.95 114.58 116.57 3i8f h GLU 31 Ca -0.05 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3i8f h GLU 31 Cb 0.34 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3i8f h GLU 31 CO 0.07 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.13 3i8f n ALA 32 N -2.77 -0.05 -0.19 3.43 0.00 0.72 -1.36 120.51 120.29 3i8f n ALA 32 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.63 3i8f n ALA 32 Cb 0.30 0.23 0.25 0.00 0.00 0.00 0.00 19.45 20.22 3i8f n ALA 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i8f n ARG 33 N -1.42 -0.04 0.14 0.00 1.74 -1.06 0.74 116.66 116.76 3i8f n ARG 33 Ca 0.00 0.82 -0.13 0.00 -0.77 0.00 0.00 57.85 57.77 3i8f n ARG 33 Cb 0.00 -1.38 -0.08 0.00 -1.02 0.00 0.00 32.46 29.99 3i8f n ARG 33 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3i8f h ASN 34 N 0.00 -0.33 -0.19 0.55 -0.26 -1.29 -0.47 115.58 113.60 3i8f h ASN 34 Ca 0.41 -0.20 0.04 0.00 -0.56 0.00 0.00 56.30 55.99 3i8f h ASN 34 Cb 0.98 0.08 -0.07 0.00 -1.06 0.00 0.00 38.32 38.26 3i8f h ASN 34 CO -0.49 0.08 -0.46 0.40 -1.06 0.00 0.00 177.43 175.90 3i8f h ILE 35 N -0.79 0.09 -0.71 2.81 2.04 0.16 0.20 117.51 121.31 3i8f h ILE 35 Ca -0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.90 3i8f h ILE 35 Cb 0.51 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 3i8f h ILE 35 CO 0.06 0.00 0.38 -0.07 0.00 0.00 0.00 178.15 178.52 3i8f h LEU 36 N -0.49 0.53 -0.64 1.44 3.38 -1.15 -1.11 115.31 117.27 3i8f h LEU 36 Ca 0.07 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.16 3i8f h LEU 36 Cb 0.64 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 3i8f h LEU 36 CO -0.45 0.32 0.32 -0.09 0.09 0.00 0.00 178.44 178.63 3i8f h ARG 37 N 0.66 0.57 -0.73 1.13 9.65 0.21 -2.93 114.38 122.95 3i8f h ARG 37 Ca 0.33 -0.03 -0.49 0.00 -1.10 0.00 0.00 59.98 58.69 3i8f h ARG 37 Cb 0.29 -0.13 -0.29 0.00 -1.39 0.00 0.00 29.97 28.45 3i8f h ARG 37 CO -0.23 0.38 -0.02 0.66 2.80 0.00 0.00 179.97 183.56 3i8f n TYR 38 N -4.85 2.46 -4.34 2.20 4.01 -0.07 -4.93 117.16 111.63 3i8f n TYR 38 Ca 0.08 -2.29 -0.35 0.00 -0.16 0.00 0.00 57.90 55.19 3i8f n TYR 38 Cb 0.20 -0.76 -0.10 0.00 -0.31 0.00 0.00 39.34 38.38 3i8f n TYR 38 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3i8f s THR 39 N -4.23 4.34 -1.06 -0.72 -1.32 -0.48 -4.98 115.64 107.18 3i8f s THR 39 Ca 0.54 -0.23 -0.07 0.00 -1.21 0.00 0.00 61.69 60.72 3i8f s THR 39 Cb 0.44 -2.84 0.27 0.00 -1.51 0.00 0.00 72.50 68.86 3i8f s THR 39 CO 0.02 0.59 1.05 -3.20 -2.21 0.00 0.00 174.62 170.87 3i8f n ASN 40 N 2.32 5.24 -3.66 8.08 4.05 -1.26 -4.90 115.26 125.13 3i8f n ASN 40 Ca -0.18 -3.08 -0.12 0.00 0.45 0.00 0.00 54.58 51.65 3i8f n ASN 40 Cb 0.53 -1.29 -0.08 0.00 1.23 0.00 0.00 39.78 40.17 3i8f n ASN 40 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3i8f s LYS 41 N -1.39 0.71 0.19 1.20 -0.14 -1.26 -5.01 119.74 114.04 3i8f s LYS 41 Ca 0.30 0.96 0.13 0.00 -1.36 0.00 0.00 55.97 56.01 3i8f s LYS 41 Cb -0.09 0.28 0.70 0.00 -1.68 0.00 0.00 37.83 37.04 3i8f s LYS 41 CO -0.08 -0.11 1.40 -2.13 -0.76 0.00 0.00 175.35 173.67 3i8f n ARG 42 N 3.24 0.08 0.01 1.68 0.63 -1.26 -1.43 116.66 119.62 3i8f n ARG 42 Ca -0.16 0.57 -0.13 0.00 -0.92 0.00 0.00 57.85 57.21 3i8f n ARG 42 Cb 0.56 -1.77 -0.09 0.00 0.45 0.00 0.00 32.46 31.61 3i8f n ARG 42 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3i8f h GLY 43 N 0.14 -0.06 -0.25 5.14 0.00 -1.95 -3.30 103.07 102.79 3i8f h GLY 43 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.37 3i8f h GLY 43 CO 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 176.54 176.37 3i8f n ALA 44 N -2.34 -0.16 -0.89 3.60 0.00 -0.51 -1.43 120.51 118.78 3i8f n ALA 44 Ca -0.08 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3i8f n ALA 44 Cb 0.22 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3i8f n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3i8f n TYR 45 N -3.71 0.00 -0.33 0.00 9.36 -1.24 0.13 117.16 121.37 3i8f n TYR 45 Ca 0.00 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.39 3i8f n TYR 45 Cb 0.06 0.00 0.33 0.00 -0.63 0.00 0.00 39.34 39.10 3i8f n TYR 45 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 3i8f n PHE 46 N -0.54 0.69 0.28 2.98 3.72 -0.66 -0.43 117.46 123.50 3i8f n PHE 46 Ca 0.00 1.15 -0.15 0.00 -0.05 0.00 0.00 57.45 58.40 3i8f n PHE 46 Cb 0.00 -1.27 -0.08 0.00 -0.94 0.00 0.00 39.48 37.19 3i8f n PHE 46 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3i8f h VAL 47 N 0.00 0.43 -0.80 -4.37 2.07 -0.17 -0.45 116.25 112.95 3i8f h VAL 47 Ca 0.62 -0.28 0.14 0.00 0.82 0.00 0.00 66.70 68.00 3i8f h VAL 47 Cb 1.35 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 3i8f h VAL 47 CO -0.88 0.04 0.53 0.00 0.02 0.00 0.00 177.57 177.29 3i8f h ALA 48 N -0.51 1.98 -0.03 1.67 0.00 0.34 0.17 119.26 122.88 3i8f h ALA 48 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 3i8f h ALA 48 Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3i8f h ALA 48 CO 0.12 -0.19 -0.76 -0.22 0.00 0.00 0.00 179.25 178.20 3i8f h LYS 49 N 0.55 0.22 -0.03 0.00 3.64 -0.60 -0.08 116.57 120.27 3i8f h LYS 49 Ca 0.40 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3i8f h LYS 49 Cb 0.76 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3i8f h LYS 49 CO -0.15 0.88 0.00 1.55 -2.27 0.00 0.00 179.45 179.46 3i8f n VAL 50 N -3.75 0.03 -0.10 2.00 3.14 -0.10 -2.96 118.33 116.58 3i8f n VAL 50 Ca -0.03 -0.20 -0.15 0.00 -2.96 0.00 0.00 64.34 61.00 3i8f n VAL 50 Cb 0.72 0.23 -0.09 0.00 -1.06 0.00 0.00 33.84 33.65 3i8f n VAL 50 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3i8f n LEU 51 N -0.10 2.71 0.26 6.55 -0.00 0.41 -3.86 117.00 122.96 3i8f n LEU 51 Ca 0.19 -0.04 0.17 0.00 -0.00 0.00 0.00 56.01 56.34 3i8f n LEU 51 Cb 0.29 -0.68 0.71 0.00 -0.00 0.00 0.00 43.42 43.73 3i8f n LEU 51 CO 0.16 0.76 0.99 -0.08 -0.00 0.00 0.00 177.39 179.23 3i8f h GLU 52 N -0.14 0.00 0.00 1.96 4.57 -1.09 -1.77 114.58 118.12 3i8f h GLU 52 Ca -0.46 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.59 3i8f h GLU 52 Cb 1.65 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.22 3i8f h GLU 52 CO -0.12 0.00 -0.87 1.03 -1.18 0.00 0.00 179.01 177.87 3i8f h SER 53 N 0.00 0.00 0.03 1.04 0.87 -1.72 -3.06 113.55 110.72 3i8f h SER 53 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3i8f h SER 53 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3i8f h SER 53 CO 0.00 0.53 -0.02 0.00 -0.53 0.00 0.00 176.83 176.81 3i8f h ALA 54 N 1.47 -0.04 -0.38 6.23 0.00 -1.45 -3.16 119.26 121.93 3i8f h ALA 54 Ca -0.06 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.58 3i8f h ALA 54 Cb 1.46 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 3i8f h ALA 54 CO 0.06 -0.20 -0.42 0.00 0.00 0.00 0.00 179.25 178.69 3i8f h ALA 55 N 0.21 -0.62 -1.81 0.00 0.00 -1.51 0.18 119.26 115.71 3i8f h ALA 55 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i8f h ALA 55 Cb 0.63 1.07 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3i8f h ALA 55 CO 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 179.25 178.42 3i8f n ALA 56 N -3.02 0.00 -0.37 0.00 0.00 -1.15 -0.21 120.51 115.76 3i8f n ALA 56 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 3i8f n ALA 56 Cb 0.24 0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 3i8f n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i8f n ASN 57 N -1.16 -0.78 -0.24 0.00 5.03 -0.96 0.22 115.26 117.36 3i8f n ASN 57 Ca 0.00 1.61 0.05 0.00 0.87 0.00 0.00 54.58 57.12 3i8f n ASN 57 Cb 0.00 -0.29 0.12 0.00 -1.02 0.00 0.00 39.78 38.59 3i8f n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i8f n ALA 58 N -3.42 0.20 -0.11 5.41 0.00 0.70 0.10 120.51 123.40 3i8f n ALA 58 Ca 0.06 0.74 -0.20 0.00 0.00 0.00 0.00 53.44 54.04 3i8f n ALA 58 Cb 0.30 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 19.19 3i8f n ALA 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3i8f n VAL 59 N -5.07 1.27 0.29 0.00 3.14 0.50 -2.43 118.33 116.03 3i8f n VAL 59 Ca 0.12 -0.41 0.18 0.00 -2.96 0.00 0.00 64.34 61.27 3i8f n VAL 59 Cb 0.38 -1.52 0.94 0.00 -1.06 0.00 0.00 33.84 32.58 3i8f n VAL 59 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 3i8f h ASN 60 N -0.37 0.00 0.00 6.55 -0.73 0.32 0.26 115.58 121.61 3i8f h ASN 60 Ca -0.54 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.63 3i8f h ASN 60 Cb 1.65 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.24 3i8f h ASN 60 CO -0.20 0.00 0.00 0.59 -0.37 0.00 0.00 177.43 177.45 3i8f n ASN 61 N -2.81 0.07 0.00 1.15 5.03 0.29 -4.81 115.26 114.18 3i8f n ASN 61 Ca -0.02 -0.33 0.00 0.00 0.87 0.00 0.00 54.58 55.10 3i8f n ASN 61 Cb 0.10 0.25 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 3i8f n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3i8f n HIS 62 N -0.25 0.00 -2.05 3.10 8.25 -0.79 -4.99 115.22 118.49 3i8f n HIS 62 Ca 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3i8f n HIS 62 Cb 0.04 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3i8f n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3i8f n ASP 63 N -0.06 -4.71 0.00 0.41 5.75 0.92 -4.80 116.55 114.07 3i8f n ASP 63 Ca 0.00 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.29 3i8f n ASP 63 Cb 0.30 -0.99 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 3i8f n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3i8f n MET 64 N 1.69 -0.08 -2.58 0.11 2.81 -1.18 -4.89 117.12 113.00 3i8f n MET 64 Ca 0.00 -0.19 -0.03 0.00 -1.81 0.00 0.00 57.70 55.67 3i8f n MET 64 Cb 0.10 -0.60 -0.02 0.00 -0.71 0.00 0.00 33.22 31.99 3i8f n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3i8f n LEU 65 N -0.02 -5.38 -0.32 4.03 0.00 -1.26 -4.39 117.00 109.66 3i8f n LEU 65 Ca 0.00 2.06 0.28 0.00 0.00 0.00 0.00 56.01 58.35 3i8f n LEU 65 Cb 0.24 -2.77 0.52 0.00 0.00 0.00 0.00 43.42 41.41 3i8f n LEU 65 CO 0.00 -3.33 0.99 -1.84 0.00 0.00 0.00 177.39 173.21 3i8f n GLU 66 N 1.95 -0.06 0.30 1.96 0.00 -1.26 -0.48 120.64 123.05 3i8f n GLU 66 Ca -0.21 1.40 0.03 0.00 0.00 0.00 0.00 57.16 58.38 3i8f n GLU 66 Cb 0.32 -2.44 0.16 0.00 0.00 0.00 0.00 31.44 29.48 3i8f n GLU 66 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3i8f h ASP 67 N 0.00 0.00 0.00 -1.84 3.32 -2.04 -2.89 116.42 112.97 3i8f h ASP 67 Ca 0.79 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.84 3i8f h ASP 67 Cb 2.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.56 3i8f h ASP 67 CO -0.80 0.00 -0.29 0.54 -1.72 0.00 0.00 179.24 176.96 3i8f n ARG 68 N -2.45 0.16 -1.07 3.56 1.74 0.37 -4.98 116.66 114.00 3i8f n ARG 68 Ca -0.00 0.06 -0.39 0.00 -0.77 0.00 0.00 57.85 56.74 3i8f n ARG 68 Cb 0.83 -0.68 -0.04 0.00 -1.02 0.00 0.00 32.46 31.54 3i8f n ARG 68 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 3i8f n LEU 69 N -3.22 -0.48 0.00 0.55 -0.00 -1.09 -3.76 117.00 109.00 3i8f n LEU 69 Ca -0.04 0.84 -0.12 0.00 -0.00 0.00 0.00 56.01 56.70 3i8f n LEU 69 Cb 0.15 -0.69 -0.04 0.00 -0.00 0.00 0.00 43.42 42.84 3i8f n LEU 69 CO 0.06 -1.82 -0.06 0.00 -0.00 0.00 0.00 177.39 175.57 3i8f n TYR 70 N 0.54 -0.40 -2.62 1.47 -0.00 -1.03 -3.11 117.16 112.01 3i8f n TYR 70 Ca 0.14 -1.62 -0.42 0.00 -0.00 0.00 0.00 57.90 56.00 3i8f n TYR 70 Cb 0.12 0.15 -0.02 0.00 -0.00 0.00 0.00 39.34 39.60 3i8f n TYR 70 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3i8f s VAL 71 N -2.75 4.12 0.17 -3.48 1.01 -0.18 -2.64 120.40 116.66 3i8f s VAL 71 Ca 0.22 -1.39 -0.14 0.00 0.00 0.00 0.00 61.98 60.68 3i8f s VAL 71 Cb 0.01 -5.09 0.06 0.00 0.00 0.00 0.00 36.38 31.37 3i8f s VAL 71 CO 0.15 -1.93 1.79 0.50 0.00 0.00 0.00 175.10 175.62 3i8f h LYS 72 N 8.70 0.49 -2.86 2.72 1.63 -1.17 -2.14 116.57 123.94 3i8f h LYS 72 Ca 0.30 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.95 3i8f h LYS 72 Cb 0.95 -0.11 -0.22 0.00 -0.60 0.00 0.00 32.23 32.25 3i8f h LYS 72 CO 1.41 0.32 -0.25 0.00 -3.45 0.00 0.00 179.45 177.48 3i8f s ALA 73 N -6.14 -0.92 -0.17 5.00 0.00 -0.35 -4.74 121.76 114.44 3i8f s ALA 73 Ca -0.13 0.76 -0.07 0.00 0.00 0.00 0.00 51.96 52.53 3i8f s ALA 73 Cb 0.13 -0.29 0.08 0.00 0.00 0.00 0.00 23.12 23.04 3i8f s ALA 73 CO 0.73 -0.23 0.37 0.00 0.00 0.00 0.00 175.76 176.64 3i8f s ALA 74 N -0.54 -0.96 0.01 0.00 0.00 -1.26 0.02 121.76 119.02 3i8f s ALA 74 Ca -0.07 1.35 -0.16 0.00 0.00 0.00 0.00 51.96 53.08 3i8f s ALA 74 Cb -0.04 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 21.97 3i8f s ALA 74 CO 0.03 -0.60 0.36 1.52 0.00 0.00 0.00 175.76 177.06 3i8f s TYR 75 N 2.26 -0.22 -0.08 0.00 1.13 -0.93 -4.88 117.35 114.63 3i8f s TYR 75 Ca -0.03 0.25 0.03 0.00 -1.41 0.00 0.00 57.07 55.91 3i8f s TYR 75 Cb -0.11 0.14 0.01 0.00 -1.10 0.00 0.00 41.96 40.90 3i8f s TYR 75 CO -0.12 -0.47 -0.18 0.54 -2.51 0.00 0.00 175.55 172.81 3i8f s VAL 76 N -1.86 1.58 0.43 -3.49 0.11 -1.26 -2.10 120.40 113.79 3i8f s VAL 76 Ca -0.10 -0.75 0.08 0.00 -2.93 0.00 0.00 61.98 58.29 3i8f s VAL 76 Cb -0.03 -1.38 -0.00 0.00 -1.53 0.00 0.00 36.38 33.43 3i8f s VAL 76 CO 0.01 0.45 0.47 -1.81 -3.33 0.00 0.00 175.10 170.89 3i8f s ASP 77 N 0.43 5.29 -0.22 3.54 1.01 0.18 -4.94 116.67 121.95 3i8f s ASP 77 Ca -0.15 -0.63 -0.07 0.00 0.71 0.00 0.00 52.55 52.41 3i8f s ASP 77 Cb -0.16 -0.56 -0.03 0.00 1.01 0.00 0.00 42.92 43.17 3i8f s ASP 77 CO 0.06 -0.73 0.07 -0.70 0.21 0.00 0.00 175.17 174.08 3i8f s GLU 78 N -4.24 3.77 0.33 8.23 2.12 -1.26 -1.26 118.70 126.40 3i8f s GLU 78 Ca 0.51 -0.43 -0.03 0.00 0.36 0.00 0.00 54.97 55.38 3i8f s GLU 78 Cb -0.06 -3.28 0.07 0.00 0.26 0.00 0.00 34.13 31.12 3i8f s GLU 78 CO 0.30 -0.01 0.45 0.41 -0.54 0.00 0.00 175.26 175.87 3i8f n GLY 79 N 4.39 -0.16 0.00 -1.50 0.00 0.30 -4.88 105.19 103.35 3i8f n GLY 79 Ca -0.16 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.00 3i8f n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i8f n PRO 80 N -1.90 2.69 -3.63 1.61 -0.04 -1.26 -4.48 135.00 127.99 3i8f n PRO 80 Ca 0.07 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 3i8f n PRO 80 Cb 0.23 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.62 3i8f n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i8f s ALA 81 N -2.13 -1.82 -0.44 0.55 0.00 -1.26 -3.49 121.76 113.16 3i8f s ALA 81 Ca 0.00 2.16 -0.29 0.00 0.00 0.00 0.00 51.96 53.83 3i8f s ALA 81 Cb 0.00 -1.27 0.03 0.00 0.00 0.00 0.00 23.12 21.87 3i8f s ALA 81 CO 0.00 -0.35 1.14 -0.51 0.00 0.00 0.00 175.76 176.04 3i8f s LEU 82 N 0.79 3.69 -0.44 0.00 1.43 -0.14 -4.86 118.68 119.15 3i8f s LEU 82 Ca -0.03 0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 53.45 3i8f s LEU 82 Cb -0.05 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.65 3i8f s LEU 82 CO -0.06 -1.19 0.76 -0.54 0.23 0.00 0.00 176.35 175.55 3i8f s LYS 83 N 4.33 3.40 0.04 1.70 1.02 -1.26 0.14 119.74 129.11 3i8f s LYS 83 Ca 0.48 -0.14 0.05 0.00 0.02 0.00 0.00 55.97 56.39 3i8f s LYS 83 Cb -0.09 -3.94 -0.03 0.00 -0.52 0.00 0.00 37.83 33.25 3i8f s LYS 83 CO 0.29 -1.09 -0.11 1.03 -0.92 0.00 0.00 175.35 174.55 3i8f s ARG 84 N 3.20 2.29 0.32 1.68 1.81 -0.05 -5.01 118.95 123.19 3i8f s ARG 84 Ca 0.29 -0.88 -0.27 0.00 -1.72 0.00 0.00 55.73 53.15 3i8f s ARG 84 Cb -0.12 -2.35 -0.10 0.00 -0.45 0.00 0.00 34.95 31.93 3i8f s ARG 84 CO 0.22 0.56 0.97 0.08 -0.68 0.00 0.00 175.30 176.45 3i8f s VAL 85 N -1.04 4.06 -0.23 3.52 1.01 -1.26 -1.58 120.40 124.88 3i8f s VAL 85 Ca 0.18 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 63.90 3i8f s VAL 85 Cb -0.11 -4.00 0.07 0.00 0.00 0.00 0.00 36.38 32.34 3i8f s VAL 85 CO 0.09 0.18 0.02 -0.22 0.00 0.00 0.00 175.10 175.17 3i8f s LEU 86 N -1.98 1.85 0.29 3.92 2.96 0.47 -4.85 118.68 121.34 3i8f s LEU 86 Ca 0.50 -1.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.01 3i8f s LEU 86 Cb -0.21 -0.84 -0.12 0.00 0.50 0.00 0.00 46.19 45.52 3i8f s LEU 86 CO 0.27 -0.30 1.54 -2.65 -1.32 0.00 0.00 176.35 173.88 3i8f n PRO 87 N 4.88 2.53 -4.26 0.98 -0.02 -1.26 -0.72 135.00 137.13 3i8f n PRO 87 Ca -0.09 0.90 -0.18 0.00 -2.02 0.00 0.00 63.50 62.11 3i8f n PRO 87 Cb 0.45 -2.64 -0.11 0.00 -0.02 0.00 0.00 33.50 31.18 3i8f n PRO 87 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3i8f s ARG 88 N -0.63 1.07 0.19 -0.52 6.06 -1.26 -4.82 118.95 119.05 3i8f s ARG 88 Ca 0.64 -1.30 -0.31 0.00 -2.50 0.00 0.00 55.73 52.25 3i8f s ARG 88 Cb -0.53 -0.92 -0.16 0.00 0.06 0.00 0.00 34.95 33.40 3i8f s ARG 88 CO 0.50 0.17 1.00 0.00 -2.50 0.00 0.00 175.30 174.47 3i8f n ALA 89 N 0.36 -1.26 -3.03 6.12 0.00 -1.26 -2.86 120.51 118.57 3i8f n ALA 89 Ca -0.14 0.45 -0.13 0.00 0.00 0.00 0.00 53.44 53.63 3i8f n ALA 89 Cb 0.58 -1.93 0.06 0.00 0.00 0.00 0.00 19.45 18.16 3i8f n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i8f n ARG 90 N 1.35 -4.67 -1.92 0.00 1.74 -1.26 -3.58 116.66 108.32 3i8f n ARG 90 Ca 0.15 0.56 -0.12 0.00 -0.77 0.00 0.00 57.85 57.66 3i8f n ARG 90 Cb 0.25 -4.74 -0.03 0.00 -1.02 0.00 0.00 32.46 26.92 3i8f n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8f n GLY 91 N -1.21 0.30 0.00 -0.13 0.00 -1.14 -4.90 105.19 98.11 3i8f n GLY 91 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3i8f n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i8f n ARG 92 N -2.32 0.00 -1.15 1.61 0.63 -1.14 -4.95 116.66 109.34 3i8f n ARG 92 Ca -0.13 0.40 -0.00 0.00 -0.92 0.00 0.00 57.85 57.19 3i8f n ARG 92 Cb 0.51 -1.14 -0.00 0.00 0.45 0.00 0.00 32.46 32.28 3i8f n ARG 92 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i8f n ALA 93 N -1.69 -2.99 -2.03 5.13 0.00 -1.26 -4.85 120.51 112.83 3i8f n ALA 93 Ca 0.00 0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 3i8f n ALA 93 Cb 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 19.45 19.47 3i8f n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i8f s ASP 94 N -0.01 5.09 -0.30 0.00 -0.00 0.10 -4.88 116.67 116.67 3i8f s ASP 94 Ca -0.00 -0.72 -0.02 0.00 -0.00 0.00 0.00 52.55 51.80 3i8f s ASP 94 Cb 0.00 0.11 0.10 0.00 -0.00 0.00 0.00 42.92 43.13 3i8f s ASP 94 CO 0.00 -1.32 0.11 0.27 -0.00 0.00 0.00 175.17 174.24 3i8f s ILE 95 N -2.68 0.44 0.08 0.77 -4.36 -1.26 -0.39 121.20 113.79 3i8f s ILE 95 Ca 0.61 -1.12 -0.30 0.00 -0.26 0.00 0.00 60.65 59.59 3i8f s ILE 95 Cb -0.06 -1.35 -0.05 0.00 1.25 0.00 0.00 42.46 42.25 3i8f s ILE 95 CO 0.39 -0.71 0.98 -0.51 0.24 0.00 0.00 174.94 175.34 3i8f s ILE 96 N 1.83 4.56 -0.20 8.37 2.07 -0.61 -4.86 121.20 132.36 3i8f s ILE 96 Ca 0.10 2.02 -0.04 0.00 -1.41 0.00 0.00 60.65 61.32 3i8f s ILE 96 Cb -0.17 -4.29 -0.02 0.00 0.13 0.00 0.00 42.46 38.12 3i8f s ILE 96 CO -0.30 0.26 -0.04 -1.59 -1.91 0.00 0.00 174.94 171.35 3i8f s LYS 97 N 0.34 3.47 -0.29 3.50 -2.85 -1.26 -0.87 119.74 121.77 3i8f s LYS 97 Ca 0.49 -0.60 -0.29 0.00 -1.00 0.00 0.00 55.97 54.58 3i8f s LYS 97 Cb -0.23 -2.97 0.01 0.00 -2.06 0.00 0.00 37.83 32.57 3i8f s LYS 97 CO 0.30 -0.05 1.18 0.15 0.10 0.00 0.00 175.35 177.02 3i8f s LYS 98 N 1.11 4.04 0.49 1.78 -0.14 0.12 -4.88 119.74 122.25 3i8f s LYS 98 Ca 0.02 1.21 -0.20 0.00 -1.36 0.00 0.00 55.97 55.63 3i8f s LYS 98 Cb -0.15 -3.79 -0.08 0.00 -1.68 0.00 0.00 37.83 32.13 3i8f s LYS 98 CO -0.00 -0.95 1.04 1.03 -0.76 0.00 0.00 175.35 175.71 3i8f s ARG 99 N 3.81 3.78 -0.03 1.68 1.81 -1.26 -0.97 118.95 127.77 3i8f s ARG 99 Ca 0.50 1.36 0.03 0.00 -1.72 0.00 0.00 55.73 55.91 3i8f s ARG 99 Cb -0.15 -2.09 0.00 0.00 -0.45 0.00 0.00 34.95 32.26 3i8f s ARG 99 CO 0.18 -0.45 -0.11 -0.08 -0.68 0.00 0.00 175.30 174.16 3i8f s THR 100 N -1.98 0.95 0.28 0.02 -1.32 -1.23 -2.57 115.64 109.79 3i8f s THR 100 Ca 0.67 -0.46 0.09 0.00 -1.21 0.00 0.00 61.69 60.78 3i8f s THR 100 Cb -0.16 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 3i8f s THR 100 CO 0.20 0.29 0.09 -0.44 -2.21 0.00 0.00 174.62 172.55 3i8f s SER 101 N 0.11 4.84 -0.29 8.08 0.01 0.15 0.11 113.70 126.72 3i8f s SER 101 Ca -0.03 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.68 3i8f s SER 101 Cb -0.09 -0.96 0.08 0.00 0.21 0.00 0.00 66.02 65.27 3i8f s SER 101 CO 0.01 -0.09 0.01 -1.00 0.41 0.00 0.00 173.24 172.58 3i8f s HIS 102 N -2.30 2.67 -0.18 2.43 3.76 -0.39 0.12 115.29 121.40 3i8f s HIS 102 Ca 0.34 -2.15 -0.13 0.00 -0.15 0.00 0.00 55.06 52.97 3i8f s HIS 102 Cb -0.06 -2.03 -0.05 0.00 1.11 0.00 0.00 32.58 31.55 3i8f s HIS 102 CO 0.22 -0.86 0.26 0.42 -0.85 0.00 0.00 174.74 173.93 3i8f s ILE 103 N 1.29 5.33 -0.12 0.60 1.01 0.11 -0.64 121.20 128.78 3i8f s ILE 103 Ca 0.03 0.46 0.01 0.00 0.00 0.00 0.00 60.65 61.15 3i8f s ILE 103 Cb -0.19 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.71 3i8f s ILE 103 CO -0.11 0.39 -0.14 -0.89 0.00 0.00 0.00 174.94 174.18 3i8f s THR 104 N 0.54 1.46 -0.07 2.92 2.01 -0.89 -0.07 115.64 121.54 3i8f s THR 104 Ca 0.14 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.56 3i8f s THR 104 Cb -0.13 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 71.05 3i8f s THR 104 CO 0.03 0.43 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.57 3i8f s VAL 105 N 1.14 1.27 -0.06 3.82 1.01 -0.83 -2.20 120.40 124.55 3i8f s VAL 105 Ca -0.03 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3i8f s VAL 105 Cb -0.14 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3i8f s VAL 105 CO -0.04 0.39 -0.15 0.27 0.00 0.00 0.00 175.10 175.57 3i8f s ILE 106 N 0.69 1.28 0.47 2.22 -4.36 0.10 -2.39 121.20 119.21 3i8f s ILE 106 Ca -0.14 -0.60 0.07 0.00 -0.26 0.00 0.00 60.65 59.72 3i8f s ILE 106 Cb -0.16 -1.13 0.00 0.00 1.25 0.00 0.00 42.46 42.42 3i8f s ILE 106 CO 0.04 0.38 0.39 -0.76 0.24 0.00 0.00 174.94 175.23 3i8f s LEU 107 N 0.36 3.13 -0.27 0.37 1.02 0.12 -0.64 118.68 122.78 3i8f s LEU 107 Ca -0.10 -0.94 -0.25 0.00 0.02 0.00 0.00 54.13 52.85 3i8f s LEU 107 Cb -0.14 -1.69 0.11 0.00 0.02 0.00 0.00 46.19 44.49 3i8f s LEU 107 CO 0.03 -0.82 0.94 -0.83 0.02 0.00 0.00 176.35 175.69 3i8f s GLY 108 N -4.19 -0.27 0.30 -3.19 0.00 -1.08 -1.31 107.32 97.58 3i8f s GLY 108 Ca 0.44 2.43 -0.29 0.00 0.00 0.00 0.00 44.72 47.30 3i8f s GLY 108 CO 0.26 1.74 1.40 1.18 0.00 0.00 0.00 173.10 177.67 3i8f n GLU 109 N 2.22 2.24 0.00 2.90 1.02 -1.24 -2.46 120.64 125.31 3i8f n GLU 109 Ca -0.13 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 3i8f n GLU 109 Cb 0.56 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 3i8f n GLU 109 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3i8f n LYS 110 N 1.29 0.00 -3.65 3.49 3.00 -1.25 -4.81 118.16 116.24 3i8f n LYS 110 Ca 0.07 0.04 -0.11 0.00 -0.00 0.00 0.00 58.31 58.32 3i8f n LYS 110 Cb 0.35 -0.79 -0.08 0.00 0.00 0.00 0.00 35.03 34.51 3i8f n LYS 110 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 3i8f s HIS 111 N -0.58 -0.86 -0.66 5.64 -3.43 -1.26 -5.08 115.29 109.06 3i8f s HIS 111 Ca 0.00 1.89 0.06 0.00 -0.80 0.00 0.00 55.06 56.21 3i8f s HIS 111 Cb 0.00 0.41 0.21 0.00 -1.43 0.00 0.00 32.58 31.77 3i8f s HIS 111 CO 0.00 -0.42 0.62 0.41 -2.00 0.00 0.00 174.74 173.35 3i8f n GLY 112 N 3.49 4.35 0.68 -1.38 0.00 -1.26 -5.18 105.19 105.89 3i8f n GLY 112 Ca -0.17 -2.63 0.13 0.00 0.00 0.00 0.00 46.02 43.35 3i8f n GLY 112 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90