#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit s GLU 2 N 0.00 0.92 -0.09 2.12 -1.05 -1.26 -4.10 118.70 115.24 3kit s GLU 2 Ca 0.00 0.56 -0.02 0.00 -0.15 0.00 0.00 54.97 55.36 3kit s GLU 2 Cb 0.00 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 34.10 3kit s GLU 2 CO 0.00 -0.22 -0.01 0.00 0.95 0.00 0.00 175.26 175.98 3kit s ALA 3 N -0.51 3.22 0.25 -0.84 0.00 0.75 -4.92 121.76 119.71 3kit s ALA 3 Ca -0.06 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.17 3kit s ALA 3 Cb -0.02 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 3kit s ALA 3 CO 0.05 0.55 0.11 0.21 0.00 0.00 0.00 175.76 176.68 3kit s LYS 4 N -0.75 2.66 0.00 0.00 2.20 -1.26 0.06 119.74 122.64 3kit s LYS 4 Ca 0.12 -1.18 0.00 0.00 -0.36 0.00 0.00 55.97 54.55 3kit s LYS 4 Cb -0.11 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 3kit s LYS 4 CO 0.02 0.40 0.00 0.00 -0.36 0.00 0.00 175.35 175.41 3kit n ALA 5 N -0.96 0.00 -0.72 3.13 0.00 0.55 -4.61 120.51 117.89 3kit n ALA 5 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3kit n ALA 5 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3kit n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kit n ILE 6 N 0.00 -1.45 -3.81 0.00 5.41 -1.19 -4.84 119.36 113.47 3kit n ILE 6 Ca 0.00 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 3kit n ILE 6 Cb 0.00 -2.02 -0.12 0.00 -0.71 0.00 0.00 39.64 36.79 3kit n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kit s ALA 7 N 0.00 3.17 0.53 -1.39 0.00 0.85 -4.97 121.76 119.95 3kit s ALA 7 Ca 0.00 -2.65 -0.15 0.00 0.00 0.00 0.00 51.96 49.16 3kit s ALA 7 Cb 0.00 -2.37 -0.07 0.00 0.00 0.00 0.00 23.12 20.69 3kit s ALA 7 CO 0.00 -1.83 0.98 1.03 0.00 0.00 0.00 175.76 175.94 3kit s ARG 8 N 0.90 3.86 -1.21 0.00 0.52 -1.26 -2.52 118.95 119.24 3kit s ARG 8 Ca 0.10 0.87 -0.07 0.00 -0.52 0.00 0.00 55.73 56.11 3kit s ARG 8 Cb -0.22 -2.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.09 3kit s ARG 8 CO -0.05 -0.32 0.77 0.66 0.02 0.00 0.00 175.30 176.39 3kit n TYR 9 N -1.81 -2.02 -0.02 -0.53 4.02 -1.11 -4.96 117.16 110.74 3kit n TYR 9 Ca 0.06 0.74 -0.13 0.00 -0.01 0.00 0.00 57.90 58.56 3kit n TYR 9 Cb 0.54 -4.09 -0.10 0.00 -0.02 0.00 0.00 39.34 35.66 3kit n TYR 9 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3kit h VAL 10 N -1.73 1.43 -1.31 -0.72 2.07 -0.40 -3.46 116.25 112.14 3kit h VAL 10 Ca -0.63 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 65.38 3kit h VAL 10 Cb 1.35 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 3kit h VAL 10 CO 0.52 0.38 0.00 -1.14 0.02 0.00 0.00 177.57 177.35 3kit n ARG 11 N -4.79 0.00 -3.62 1.57 0.00 -1.26 -4.85 116.66 103.70 3kit n ARG 11 Ca -0.09 0.14 -0.08 0.00 -0.00 0.00 0.00 57.85 57.83 3kit n ARG 11 Cb 0.32 -0.65 -0.06 0.00 0.00 0.00 0.00 32.46 32.07 3kit n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 3kit s ILE 12 N -2.44 0.00 0.07 5.15 2.07 -1.20 -4.95 121.20 119.91 3kit s ILE 12 Ca 0.00 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 58.93 3kit s ILE 12 Cb 0.00 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.52 3kit s ILE 12 CO 0.00 0.00 1.35 -0.55 -1.91 0.00 0.00 174.94 173.83 3kit s SER 13 N -0.32 6.89 0.11 4.50 0.15 -1.26 -3.06 113.70 120.71 3kit s SER 13 Ca 0.03 2.19 -0.28 0.00 0.70 0.00 0.00 55.95 58.59 3kit s SER 13 Cb -0.03 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.61 3kit s SER 13 CO -0.06 -0.63 1.47 -0.65 1.20 0.00 0.00 173.24 174.57 3kit h PRO 14 N 7.12 -0.30 -0.84 5.44 0.11 -1.91 0.17 132.00 141.79 3kit h PRO 14 Ca -0.41 0.02 0.24 0.00 0.11 0.00 0.00 66.00 65.97 3kit h PRO 14 Cb 1.20 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 3kit h PRO 14 CO 0.86 -0.20 1.13 -0.09 -0.21 0.00 0.00 178.00 179.50 3kit h ARG 15 N -0.31 0.00 0.10 1.05 2.43 -1.95 0.84 114.38 116.54 3kit h ARG 15 Ca 0.07 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.94 3kit h ARG 15 Cb 0.49 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3kit h ARG 15 CO -0.54 0.00 -1.55 0.87 -1.51 0.00 0.00 179.97 177.24 3kit h LYS 16 N 0.00 0.22 0.17 0.20 1.57 -1.05 -3.37 116.57 114.31 3kit h LYS 16 Ca 0.40 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3kit h LYS 16 Cb 2.65 0.14 0.00 0.00 0.08 0.00 0.00 32.23 35.10 3kit h LYS 16 CO -0.00 1.18 -0.08 0.28 -0.57 0.00 0.00 179.45 180.25 3kit h VAL 17 N -0.30 0.94 -1.47 0.50 2.07 0.10 -2.86 116.25 115.23 3kit h VAL 17 Ca -0.34 -0.68 0.47 0.00 0.82 0.00 0.00 66.70 66.97 3kit h VAL 17 Cb 1.77 1.35 -0.12 0.00 -1.52 0.00 0.00 31.29 32.77 3kit h VAL 17 CO 0.03 0.15 0.98 0.03 0.02 0.00 0.00 177.57 178.78 3kit h ARG 18 N -0.57 0.04 -0.84 1.57 3.08 -1.32 0.61 114.38 116.95 3kit h ARG 18 Ca -0.02 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.16 3kit h ARG 18 Cb 0.43 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.38 3kit h ARG 18 CO 0.04 0.03 0.45 -0.07 -1.07 0.00 0.00 179.97 179.35 3kit h LEU 19 N 0.04 0.57 0.16 3.04 4.07 -1.67 0.36 115.31 121.89 3kit h LEU 19 Ca 0.85 0.08 -0.35 0.00 0.08 0.00 0.00 57.88 58.55 3kit h LEU 19 Cb 2.88 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 44.60 3kit h LEU 19 CO -0.33 0.27 -1.77 -0.37 -1.08 0.00 0.00 178.44 175.16 3kit h VAL 20 N 0.67 0.91 -0.62 1.22 -1.51 0.05 -3.29 116.25 113.67 3kit h VAL 20 Ca 0.44 -2.53 0.10 0.00 -1.23 0.00 0.00 66.70 63.49 3kit h VAL 20 Cb 0.57 2.70 -0.04 0.00 -2.13 0.00 0.00 31.29 32.40 3kit h VAL 20 CO -0.33 0.85 0.42 0.58 -1.23 0.00 0.00 177.57 177.86 3kit h VAL 21 N 0.09 0.89 0.00 7.19 2.07 -0.90 0.90 116.25 126.50 3kit h VAL 21 Ca -0.34 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3kit h VAL 21 Cb 2.07 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3kit h VAL 21 CO 0.16 0.08 0.00 0.44 0.02 0.00 0.00 177.57 178.26 3kit h ASP 22 N 0.43 0.00 1.46 0.57 3.45 -0.37 -2.58 116.42 119.37 3kit h ASP 22 Ca 0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.75 3kit h ASP 22 Cb 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 3kit h ASP 22 CO -0.08 0.00 0.00 0.25 -1.57 0.00 0.00 179.24 177.84 3kit h LEU 23 N 0.00 0.00 -2.09 1.55 5.85 0.78 -3.32 115.31 118.08 3kit h LEU 23 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kit h LEU 23 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3kit h LEU 23 CO 0.00 0.00 0.00 2.30 -0.34 0.00 0.00 178.44 180.40 3kit n ILE 24 N -2.50 0.57 -1.91 4.05 -5.35 -0.98 -5.01 119.36 108.22 3kit n ILE 24 Ca 0.04 -0.65 -0.42 0.00 -0.27 0.00 0.00 62.75 61.45 3kit n ILE 24 Cb 0.42 0.77 -0.03 0.00 -1.74 0.00 0.00 39.64 39.06 3kit n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3kit s ARG 25 N -0.57 4.19 -0.41 6.28 3.52 -1.15 -2.77 118.95 128.03 3kit s ARG 25 Ca 0.00 2.35 -0.01 0.00 -0.13 0.00 0.00 55.73 57.94 3kit s ARG 25 Cb 0.00 -3.66 0.00 0.00 -1.56 0.00 0.00 34.95 29.73 3kit s ARG 25 CO 0.00 -0.76 0.35 0.41 -0.81 0.00 0.00 175.30 174.49 3kit n GLY 26 N 4.05 0.29 3.32 8.12 0.00 -0.60 -5.03 105.19 115.34 3kit n GLY 26 Ca 0.16 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 3kit n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kit s LYS 27 N -4.82 1.26 0.10 1.61 -0.14 -1.11 -4.87 119.74 111.76 3kit s LYS 27 Ca 0.07 -1.50 -0.31 0.00 -1.36 0.00 0.00 55.97 52.88 3kit s LYS 27 Cb -0.03 -1.10 -0.07 0.00 -1.68 0.00 0.00 37.83 34.95 3kit s LYS 27 CO 0.24 0.19 1.32 -1.54 -0.76 0.00 0.00 175.35 174.80 3kit s SER 28 N -3.07 6.91 0.64 2.83 1.04 -1.26 -0.41 113.70 120.38 3kit s SER 28 Ca 0.19 2.22 0.04 0.00 0.48 0.00 0.00 55.95 58.88 3kit s SER 28 Cb -0.02 -2.58 0.13 0.00 0.10 0.00 0.00 66.02 63.65 3kit s SER 28 CO 0.06 -0.59 1.02 -0.11 0.98 0.00 0.00 173.24 174.60 3kit n LEU 29 N 3.92 0.00 -0.07 2.42 7.94 -0.04 0.73 117.00 131.91 3kit n LEU 29 Ca 0.11 0.53 -0.22 0.00 -1.11 0.00 0.00 56.01 55.32 3kit n LEU 29 Cb 0.44 -0.04 -0.12 0.00 0.53 0.00 0.00 43.42 44.22 3kit n LEU 29 CO 0.58 -0.53 -0.61 -0.08 -1.11 0.00 0.00 177.39 175.64 3kit h GLU 30 N 0.00 0.09 -0.90 1.96 4.81 -1.88 -3.01 114.58 115.65 3kit h GLU 30 Ca 0.07 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3kit h GLU 30 Cb 2.10 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 31.49 3kit h GLU 30 CO -0.00 1.07 0.59 1.49 -0.73 0.00 0.00 179.01 181.43 3kit h GLU 31 N -0.66 1.13 0.14 1.92 4.81 -0.05 -1.60 114.58 120.28 3kit h GLU 31 Ca -0.37 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3kit h GLU 31 Cb 1.54 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 3kit h GLU 31 CO -0.11 0.75 -0.14 0.00 -0.73 0.00 0.00 179.01 178.77 3kit h ALA 32 N 1.46 -0.28 -0.33 2.92 0.00 -0.92 0.10 119.26 122.21 3kit h ALA 32 Ca 0.34 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.25 3kit h ALA 32 Cb -0.06 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3kit h ALA 32 CO -0.09 -0.68 0.12 0.00 0.00 0.00 0.00 179.25 178.60 3kit h ARG 33 N -0.31 0.26 -0.92 0.00 3.08 -1.29 -1.91 114.38 113.28 3kit h ARG 33 Ca 0.00 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.10 3kit h ARG 33 Cb 0.30 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 3kit h ARG 33 CO -0.04 0.17 0.58 -0.91 -1.07 0.00 0.00 179.97 178.70 3kit h ASN 34 N 0.27 0.92 0.00 7.04 4.21 -0.97 0.24 115.58 127.29 3kit h ASN 34 Ca 0.15 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.67 3kit h ASN 34 Cb 0.11 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 3kit h ASN 34 CO -0.14 0.58 0.00 -0.38 -1.29 0.00 0.00 177.43 176.20 3kit n ILE 35 N -4.57 0.00 -0.32 2.81 2.08 0.33 -2.55 119.36 117.14 3kit n ILE 35 Ca 0.14 1.13 0.11 0.00 0.56 0.00 0.00 62.75 64.69 3kit n ILE 35 Cb 0.18 -2.08 0.22 0.00 -0.75 0.00 0.00 39.64 37.21 3kit n ILE 35 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3kit n LEU 36 N -0.95 -0.18 -0.33 1.39 4.77 -0.79 0.24 117.00 121.14 3kit n LEU 36 Ca 0.00 1.54 0.19 0.00 -0.03 0.00 0.00 56.01 57.71 3kit n LEU 36 Cb 0.00 -0.53 0.40 0.00 -2.33 0.00 0.00 43.42 40.96 3kit n LEU 36 CO 0.00 -1.54 1.12 -0.09 -1.33 0.00 0.00 177.39 175.56 3kit h ARG 37 N 0.00 0.44 -0.18 3.23 9.65 -0.40 -1.76 114.38 125.35 3kit h ARG 37 Ca 0.51 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 59.31 3kit h ARG 37 Cb 0.97 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.42 3kit h ARG 37 CO -0.88 0.29 -0.11 0.66 2.80 0.00 0.00 179.97 182.73 3kit n TYR 38 N -4.98 0.59 -3.66 2.20 4.01 0.14 -4.96 117.16 110.49 3kit n TYR 38 Ca 0.28 -1.24 -0.37 0.00 -0.16 0.00 0.00 57.90 56.41 3kit n TYR 38 Cb 0.82 -0.32 -0.10 0.00 -0.31 0.00 0.00 39.34 39.43 3kit n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3kit s THR 39 N -3.04 5.25 -1.36 -0.72 2.01 -0.66 -5.02 115.64 112.09 3kit s THR 39 Ca 0.40 0.14 -0.16 0.00 0.31 0.00 0.00 61.69 62.38 3kit s THR 39 Cb 0.35 -3.46 0.07 0.00 0.01 0.00 0.00 72.50 69.47 3kit s THR 39 CO 0.02 0.32 1.93 -3.20 -0.69 0.00 0.00 174.62 172.99 3kit n ASN 40 N 4.56 4.53 -3.64 3.53 5.15 -1.26 -4.76 115.26 123.37 3kit n ASN 40 Ca -0.15 -2.90 -0.12 0.00 -0.60 0.00 0.00 54.58 50.82 3kit n ASN 40 Cb 0.52 -1.69 -0.07 0.00 -0.53 0.00 0.00 39.78 38.01 3kit n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3kit s LYS 41 N 3.46 0.75 0.56 1.20 -0.14 -1.26 -5.01 119.74 119.30 3kit s LYS 41 Ca 0.50 1.03 0.27 0.00 -1.36 0.00 0.00 55.97 56.41 3kit s LYS 41 Cb 0.08 0.29 1.49 0.00 -1.68 0.00 0.00 37.83 38.01 3kit s LYS 41 CO 0.00 -0.12 1.99 -0.09 -0.76 0.00 0.00 175.35 176.38 3kit h ARG 42 N 5.77 0.00 -0.71 1.68 2.43 -1.99 1.00 114.38 122.56 3kit h ARG 42 Ca -0.30 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.88 3kit h ARG 42 Cb 1.18 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 3kit h ARG 42 CO 0.11 0.00 0.47 0.78 -1.51 0.00 0.00 179.97 179.82 3kit h GLY 43 N 0.00 1.00 0.00 2.80 0.00 -1.95 -3.16 103.07 101.76 3kit h GLY 43 Ca 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3kit h GLY 43 CO -0.00 0.36 0.00 0.00 0.00 0.00 0.00 176.54 176.90 3kit n ALA 44 N -2.43 -0.07 -0.07 3.60 0.00 0.35 -1.98 120.51 119.90 3kit n ALA 44 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 3kit n ALA 44 Cb 0.04 0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 3kit n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kit n TYR 45 N -2.51 -0.08 -0.05 0.00 9.36 -1.19 -0.72 117.16 121.97 3kit n TYR 45 Ca 0.00 0.21 -0.08 0.00 3.32 0.00 0.00 57.90 61.36 3kit n TYR 45 Cb 0.00 -0.34 -0.02 0.00 -0.63 0.00 0.00 39.34 38.35 3kit n TYR 45 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3kit h PHE 46 N 0.00 -0.17 -0.18 2.98 0.04 -1.61 -1.30 116.94 116.70 3kit h PHE 46 Ca 0.03 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 3kit h PHE 46 Cb 0.07 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 3kit h PHE 46 CO -0.42 -0.13 0.10 0.28 -0.60 0.00 0.00 178.31 177.54 3kit h VAL 47 N -0.03 1.11 -0.13 -0.55 2.07 -0.27 -1.68 116.25 116.77 3kit h VAL 47 Ca 0.12 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3kit h VAL 47 Cb 0.20 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 3kit h VAL 47 CO -0.26 0.10 -0.54 0.00 0.02 0.00 0.00 177.57 176.90 3kit h ALA 48 N 0.99 -0.89 -0.88 1.67 0.00 -0.80 0.28 119.26 119.62 3kit h ALA 48 Ca 0.06 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.13 3kit h ALA 48 Cb 0.08 1.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.75 3kit h ALA 48 CO -0.01 -1.09 0.36 -0.22 0.00 0.00 0.00 179.25 178.29 3kit h LYS 49 N -0.58 0.36 0.00 0.00 3.64 -1.04 0.16 116.57 119.11 3kit h LYS 49 Ca 0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3kit h LYS 49 Cb 0.67 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3kit h LYS 49 CO -0.43 0.24 0.00 -0.24 -2.27 0.00 0.00 179.45 176.75 3kit h VAL 50 N 0.37 0.00 0.00 2.00 3.04 -0.12 -2.29 116.25 119.24 3kit h VAL 50 Ca 0.55 -0.66 -0.00 0.00 -1.01 0.00 0.00 66.70 65.57 3kit h VAL 50 Cb 1.05 1.64 -0.00 0.00 -2.01 0.00 0.00 31.29 31.97 3kit h VAL 50 CO -0.54 0.00 -0.05 0.25 -1.01 0.00 0.00 177.57 176.22 3kit h LEU 51 N 0.00 0.00 -1.62 3.16 6.46 0.21 -2.62 115.31 120.90 3kit h LEU 51 Ca 0.00 -0.26 0.32 0.00 -0.12 0.00 0.00 57.88 57.82 3kit h LEU 51 Cb 0.80 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.65 3kit h LEU 51 CO 0.00 0.65 0.77 -0.08 -0.62 0.00 0.00 178.44 179.17 3kit h GLU 52 N -1.00 0.20 -0.07 1.25 4.57 -0.84 0.54 114.58 119.22 3kit h GLU 52 Ca -0.01 -0.01 -0.24 0.00 -1.18 0.00 0.00 59.36 57.92 3kit h GLU 52 Cb 0.30 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3kit h GLU 52 CO -0.00 0.13 -0.90 1.03 -1.18 0.00 0.00 179.01 178.09 3kit h SER 53 N 0.20 0.86 -0.29 1.04 0.87 -1.47 -2.33 113.55 112.44 3kit h SER 53 Ca 0.62 -0.63 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 3kit h SER 53 Cb 1.96 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.65 3kit h SER 53 CO -0.20 1.42 -0.02 0.00 -0.53 0.00 0.00 176.83 177.51 3kit h ALA 54 N 0.54 0.40 -0.13 6.23 0.00 0.35 -2.91 119.26 123.74 3kit h ALA 54 Ca -0.08 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.62 3kit h ALA 54 Cb 1.53 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 3kit h ALA 54 CO 0.18 0.16 -0.10 0.00 0.00 0.00 0.00 179.25 179.48 3kit h ALA 55 N 0.82 -0.00 0.00 0.00 0.00 -0.95 0.17 119.26 119.30 3kit h ALA 55 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kit h ALA 55 Cb 0.46 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kit h ALA 55 CO 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.71 3kit n ALA 56 N -2.46 1.70 -0.02 0.00 0.00 -0.88 -0.83 120.51 118.02 3kit n ALA 56 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 3kit n ALA 56 Cb 0.17 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 3kit n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kit n ASN 57 N -0.32 3.66 0.16 0.00 5.03 0.48 -3.97 115.26 120.30 3kit n ASN 57 Ca 0.00 -0.02 -0.14 0.00 0.87 0.00 0.00 54.58 55.28 3kit n ASN 57 Cb 0.01 -0.04 -0.08 0.00 -1.02 0.00 0.00 39.78 38.65 3kit n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kit h ALA 58 N 0.01 -0.99 -2.42 5.41 0.00 0.38 -1.04 119.26 120.61 3kit h ALA 58 Ca -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3kit h ALA 58 Cb 1.16 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3kit h ALA 58 CO -0.02 -1.06 0.00 0.28 0.00 0.00 0.00 179.25 178.45 3kit n VAL 59 N -4.93 0.00 -0.31 0.00 0.31 -0.97 -1.49 118.33 110.93 3kit n VAL 59 Ca -0.08 1.10 -0.07 0.00 -0.01 0.00 0.00 64.34 65.27 3kit n VAL 59 Cb 0.36 -1.94 -0.03 0.00 -0.91 0.00 0.00 33.84 31.31 3kit n VAL 59 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3kit h ASN 60 N 0.00 -1.67 0.09 4.52 -0.73 -1.69 0.28 115.58 116.38 3kit h ASN 60 Ca 0.00 0.29 0.00 0.00 1.87 0.00 0.00 56.30 58.46 3kit h ASN 60 Cb 0.00 0.78 0.00 0.00 0.27 0.00 0.00 38.32 39.37 3kit h ASN 60 CO 0.00 -0.30 -1.11 0.59 -0.37 0.00 0.00 177.43 176.24 3kit n ASN 61 N -5.38 0.76 -0.39 1.15 5.03 -0.42 -4.50 115.26 111.51 3kit n ASN 61 Ca 0.04 -0.69 0.04 0.00 0.87 0.00 0.00 54.58 54.84 3kit n ASN 61 Cb 0.34 1.07 0.05 0.00 -1.02 0.00 0.00 39.78 40.22 3kit n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3kit n HIS 62 N -1.67 0.00 -1.59 3.10 8.25 -0.55 -5.04 115.22 117.72 3kit n HIS 62 Ca 0.03 -0.40 -0.08 0.00 -0.26 0.00 0.00 57.72 57.01 3kit n HIS 62 Cb 0.38 -0.09 0.01 0.00 1.12 0.00 0.00 29.99 31.40 3kit n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3kit n ASP 63 N -0.51 -1.71 -0.01 0.41 5.75 0.08 -4.85 116.55 115.72 3kit n ASP 63 Ca 0.06 0.01 -0.01 0.00 -0.01 0.00 0.00 54.79 54.84 3kit n ASP 63 Cb 0.69 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 40.30 3kit n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3kit n MET 64 N 0.21 2.39 -0.96 0.11 2.81 -1.12 -4.95 117.12 115.60 3kit n MET 64 Ca -0.02 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 3kit n MET 64 Cb 0.18 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 3kit n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3kit n LEU 65 N -1.96 -1.28 -0.47 4.03 7.94 -1.26 -4.72 117.00 119.27 3kit n LEU 65 Ca -0.04 0.00 0.39 0.00 -1.11 0.00 0.00 56.01 55.25 3kit n LEU 65 Cb 0.44 -0.64 0.64 0.00 0.53 0.00 0.00 43.42 44.38 3kit n LEU 65 CO 0.07 0.00 1.15 1.21 -1.11 0.00 0.00 177.39 178.71 3kit n GLU 66 N 0.22 -0.03 0.07 1.96 2.13 -1.26 -0.65 120.64 123.09 3kit n GLU 66 Ca 0.00 1.10 0.10 0.00 0.66 0.00 0.00 57.16 59.02 3kit n GLU 66 Cb 0.00 -2.23 0.41 0.00 0.27 0.00 0.00 31.44 29.90 3kit n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3kit n ASP 67 N -4.35 0.37 -0.23 4.31 8.00 -1.26 -3.06 116.55 120.32 3kit n ASP 67 Ca 0.37 0.59 0.03 0.00 0.71 0.00 0.00 54.79 56.49 3kit n ASP 67 Cb 1.49 -0.67 0.03 0.00 -0.02 0.00 0.00 41.12 41.96 3kit n ASP 67 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kit n ARG 68 N -1.90 0.28 -2.36 -1.24 1.74 0.18 -5.03 116.66 108.33 3kit n ARG 68 Ca 0.03 -0.98 -0.41 0.00 -0.77 0.00 0.00 57.85 55.72 3kit n ARG 68 Cb 0.21 -1.11 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 3kit n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kit s LEU 69 N -0.54 4.47 0.13 0.55 1.43 -1.17 -1.43 118.68 122.12 3kit s LEU 69 Ca 0.07 2.32 -0.06 0.00 -1.03 0.00 0.00 54.13 55.42 3kit s LEU 69 Cb 0.05 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 3kit s LEU 69 CO 0.07 -0.34 0.18 -0.72 0.23 0.00 0.00 176.35 175.77 3kit s TYR 70 N -0.48 0.45 -0.88 0.29 -0.00 -0.86 -0.86 117.35 115.02 3kit s TYR 70 Ca 0.50 -0.85 -0.24 0.00 -0.00 0.00 0.00 57.07 56.48 3kit s TYR 70 Cb -0.34 -0.18 0.05 0.00 -0.00 0.00 0.00 41.96 41.49 3kit s TYR 70 CO 0.40 -0.60 1.33 0.08 -0.00 0.00 0.00 175.55 176.76 3kit s VAL 71 N -3.96 3.92 0.17 -3.49 1.01 0.45 -1.89 120.40 116.62 3kit s VAL 71 Ca 0.15 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 3kit s VAL 71 Cb 0.05 -4.96 0.05 0.00 0.00 0.00 0.00 36.38 31.52 3kit s VAL 71 CO -0.03 -1.85 1.80 0.50 0.00 0.00 0.00 175.10 175.52 3kit h LYS 72 N 9.81 0.69 -2.62 2.72 3.64 -1.21 -1.59 116.57 128.02 3kit h LYS 72 Ca -0.03 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 3kit h LYS 72 Cb 1.03 -0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 32.56 3kit h LYS 72 CO 1.33 0.50 0.22 0.00 -2.27 0.00 0.00 179.45 179.24 3kit s ALA 73 N -5.99 -1.67 -0.02 5.00 0.00 -0.83 -4.70 121.76 113.55 3kit s ALA 73 Ca -0.13 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.34 3kit s ALA 73 Cb 0.12 0.55 0.08 0.00 0.00 0.00 0.00 23.12 23.87 3kit s ALA 73 CO 0.75 -0.63 0.72 0.00 0.00 0.00 0.00 175.76 176.60 3kit s ALA 74 N -2.84 -1.76 -0.19 0.00 0.00 -1.26 -0.19 121.76 115.53 3kit s ALA 74 Ca -0.03 1.15 -0.31 0.00 0.00 0.00 0.00 51.96 52.78 3kit s ALA 74 Cb -0.01 0.13 0.15 0.00 0.00 0.00 0.00 23.12 23.39 3kit s ALA 74 CO -0.05 -0.47 1.12 1.52 0.00 0.00 0.00 175.76 177.88 3kit s TYR 75 N -1.86 -0.24 -0.08 0.00 1.13 -0.86 -5.01 117.35 110.43 3kit s TYR 75 Ca -0.06 0.35 0.04 0.00 -1.41 0.00 0.00 57.07 55.98 3kit s TYR 75 Cb -0.00 0.48 0.00 0.00 -1.10 0.00 0.00 41.96 41.34 3kit s TYR 75 CO 0.03 -0.25 -0.20 0.54 -2.51 0.00 0.00 175.55 173.15 3kit s VAL 76 N -1.47 1.74 0.22 -3.49 0.11 -1.26 -1.15 120.40 115.11 3kit s VAL 76 Ca 0.04 -0.85 0.06 0.00 -2.93 0.00 0.00 61.98 58.30 3kit s VAL 76 Cb -0.01 -1.52 -0.04 0.00 -1.53 0.00 0.00 36.38 33.29 3kit s VAL 76 CO -0.03 0.49 0.19 -1.81 -3.33 0.00 0.00 175.10 170.61 3kit s ASP 77 N 0.35 5.57 -0.01 3.54 1.01 -0.60 -4.90 116.67 121.64 3kit s ASP 77 Ca -0.15 -0.19 -0.21 0.00 0.71 0.00 0.00 52.55 52.71 3kit s ASP 77 Cb -0.16 -1.45 -0.05 0.00 1.01 0.00 0.00 42.92 42.27 3kit s ASP 77 CO 0.06 -0.01 0.62 -0.70 0.21 0.00 0.00 175.17 175.36 3kit s GLU 78 N -3.61 4.35 0.35 8.23 2.12 -1.26 -0.14 118.70 128.74 3kit s GLU 78 Ca 0.32 0.78 0.03 0.00 0.36 0.00 0.00 54.97 56.47 3kit s GLU 78 Cb -0.09 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 30.98 3kit s GLU 78 CO 0.25 0.32 0.29 0.41 -0.54 0.00 0.00 175.26 175.98 3kit n GLY 79 N 2.53 2.76 3.64 -1.50 0.00 -0.18 -4.88 105.19 107.55 3kit n GLY 79 Ca -0.06 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.32 3kit n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kit n PRO 80 N -1.37 1.26 -3.51 1.61 -0.04 -1.26 -4.38 135.00 127.31 3kit n PRO 80 Ca -0.00 0.46 -0.32 0.00 -0.04 0.00 0.00 63.50 63.60 3kit n PRO 80 Cb 0.39 -2.19 -0.05 0.00 -0.04 0.00 0.00 33.50 31.61 3kit n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kit s ALA 81 N -1.38 3.66 -0.53 0.55 0.00 -1.26 -4.21 121.76 118.58 3kit s ALA 81 Ca 0.69 -0.37 -0.18 0.00 0.00 0.00 0.00 51.96 52.10 3kit s ALA 81 Cb -0.47 -2.32 0.08 0.00 0.00 0.00 0.00 23.12 20.41 3kit s ALA 81 CO 0.52 0.57 0.60 -0.51 0.00 0.00 0.00 175.76 176.94 3kit s LEU 82 N -2.66 5.35 -0.14 0.00 1.02 0.24 -4.95 118.68 117.54 3kit s LEU 82 Ca 0.44 -1.25 -0.29 0.00 0.02 0.00 0.00 54.13 53.04 3kit s LEU 82 Cb -0.12 -2.33 -0.01 0.00 0.02 0.00 0.00 46.19 43.76 3kit s LEU 82 CO 0.22 -0.92 1.01 -0.54 0.02 0.00 0.00 176.35 176.14 3kit s LYS 83 N 2.38 4.38 0.07 1.70 1.02 -1.26 -0.70 119.74 127.32 3kit s LYS 83 Ca 0.11 1.38 0.06 0.00 0.02 0.00 0.00 55.97 57.53 3kit s LYS 83 Cb -0.23 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 3kit s LYS 83 CO 0.08 -0.40 -0.17 1.03 -0.92 0.00 0.00 175.35 174.98 3kit s ARG 84 N 2.32 1.02 -0.34 1.68 1.81 0.04 -4.97 118.95 120.50 3kit s ARG 84 Ca 0.47 -0.95 -0.17 0.00 -1.72 0.00 0.00 55.73 53.36 3kit s ARG 84 Cb -0.17 -1.11 -0.01 0.00 -0.45 0.00 0.00 34.95 33.21 3kit s ARG 84 CO 0.15 0.26 0.48 0.08 -0.68 0.00 0.00 175.30 175.59 3kit s VAL 85 N -1.04 5.05 -0.40 3.52 1.01 -1.26 0.75 120.40 128.03 3kit s VAL 85 Ca 0.03 0.32 -0.12 0.00 0.00 0.00 0.00 61.98 62.21 3kit s VAL 85 Cb -0.09 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.41 3kit s VAL 85 CO 0.02 -0.16 0.25 -0.22 0.00 0.00 0.00 175.10 174.99 3kit s LEU 86 N 2.30 4.96 0.10 3.92 2.96 0.29 -4.89 118.68 128.31 3kit s LEU 86 Ca 0.17 -1.13 -0.31 0.00 -0.22 0.00 0.00 54.13 52.64 3kit s LEU 86 Cb -0.16 -2.05 -0.08 0.00 0.50 0.00 0.00 46.19 44.41 3kit s LEU 86 CO 0.13 -0.46 1.39 -2.16 -1.32 0.00 0.00 176.35 173.93 3kit s PRO 87 N 1.55 4.31 0.49 0.98 0.04 -1.26 0.10 135.00 141.21 3kit s PRO 87 Ca 0.03 2.06 0.06 0.00 0.04 0.00 0.00 61.00 63.19 3kit s PRO 87 Cb -0.21 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.04 3kit s PRO 87 CO 0.06 -0.46 0.38 1.03 0.04 0.00 0.00 177.00 178.05 3kit s ARG 88 N 1.32 2.33 0.55 4.56 1.81 -1.26 -4.78 118.95 123.48 3kit s ARG 88 Ca 0.65 -1.84 -0.20 0.00 -1.72 0.00 0.00 55.73 52.61 3kit s ARG 88 Cb -0.36 -2.18 -0.05 0.00 -0.45 0.00 0.00 34.95 31.91 3kit s ARG 88 CO 0.30 -0.43 1.22 0.00 -0.68 0.00 0.00 175.30 175.71 3kit s ALA 89 N -2.66 2.71 -0.70 2.13 0.00 -1.26 -3.13 121.76 118.84 3kit s ALA 89 Ca 0.40 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.40 3kit s ALA 89 Cb -0.02 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3kit s ALA 89 CO 0.24 -1.06 0.11 0.54 0.00 0.00 0.00 175.76 175.58 3kit n ARG 90 N -1.21 -1.27 -2.19 0.00 1.74 -1.26 -3.35 116.66 109.13 3kit n ARG 90 Ca 0.11 0.40 -0.20 0.00 -0.77 0.00 0.00 57.85 57.40 3kit n ARG 90 Cb 0.48 -4.30 -0.03 0.00 -1.02 0.00 0.00 32.46 27.60 3kit n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kit n GLY 91 N -1.03 0.12 0.20 -0.13 0.00 -1.21 -4.93 105.19 98.21 3kit n GLY 91 Ca -0.08 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 3kit n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kit h ARG 92 N 0.00 -0.39 -3.95 1.61 3.08 -1.54 -3.48 114.38 109.71 3kit h ARG 92 Ca -0.46 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3kit h ARG 92 Cb 1.34 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.48 3kit h ARG 92 CO 0.57 -0.06 -0.73 0.00 -1.07 0.00 0.00 179.97 178.69 3kit n ALA 93 N -2.56 -2.38 -2.37 0.04 0.00 -1.26 -4.81 120.51 107.17 3kit n ALA 93 Ca -0.09 0.44 -0.23 0.00 0.00 0.00 0.00 53.44 53.56 3kit n ALA 93 Cb 0.27 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 3kit n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kit s ASP 94 N -0.43 4.65 -0.29 0.00 -0.00 0.29 -4.86 116.67 116.03 3kit s ASP 94 Ca -0.01 -0.95 0.02 0.00 -0.00 0.00 0.00 52.55 51.61 3kit s ASP 94 Cb 0.00 -0.53 0.07 0.00 -0.00 0.00 0.00 42.92 42.46 3kit s ASP 94 CO 0.04 -0.57 -0.05 0.27 -0.00 0.00 0.00 175.17 174.86 3kit s ILE 95 N -2.55 2.41 0.22 0.77 -4.36 -1.26 0.10 121.20 116.53 3kit s ILE 95 Ca 0.43 -1.71 -0.24 0.00 -0.26 0.00 0.00 60.65 58.87 3kit s ILE 95 Cb 0.01 -2.47 -0.08 0.00 1.25 0.00 0.00 42.46 41.16 3kit s ILE 95 CO 0.24 -0.16 0.80 -0.51 0.24 0.00 0.00 174.94 175.55 3kit s ILE 96 N 1.10 4.39 -0.50 8.37 2.07 0.23 -4.84 121.20 132.02 3kit s ILE 96 Ca -0.04 1.60 -0.06 0.00 -1.41 0.00 0.00 60.65 60.73 3kit s ILE 96 Cb -0.20 -4.03 0.13 0.00 0.13 0.00 0.00 42.46 38.50 3kit s ILE 96 CO -0.05 0.34 0.34 -0.54 -1.91 0.00 0.00 174.94 173.13 3kit s LYS 97 N -1.60 2.40 -0.65 3.50 1.02 -1.26 -0.78 119.74 122.37 3kit s LYS 97 Ca 0.41 -1.97 -0.26 0.00 0.02 0.00 0.00 55.97 54.17 3kit s LYS 97 Cb -0.20 -3.81 -0.01 0.00 -0.52 0.00 0.00 37.83 33.29 3kit s LYS 97 CO 0.24 -1.16 1.78 0.15 -0.92 0.00 0.00 175.35 175.44 3kit s LYS 98 N 0.95 2.71 1.13 1.68 -0.14 0.13 -4.84 119.74 121.36 3kit s LYS 98 Ca 0.09 0.42 -0.15 0.00 -1.36 0.00 0.00 55.97 54.97 3kit s LYS 98 Cb -0.23 -4.40 0.25 0.00 -1.68 0.00 0.00 37.83 31.77 3kit s LYS 98 CO -0.03 -2.68 1.07 1.03 -0.76 0.00 0.00 175.35 173.99 3kit s ARG 99 N 6.83 -0.66 0.01 1.68 1.81 -1.26 -0.59 118.95 126.76 3kit s ARG 99 Ca 0.62 0.34 0.01 0.00 -1.72 0.00 0.00 55.73 54.98 3kit s ARG 99 Cb -0.11 -1.63 -0.01 0.00 -0.45 0.00 0.00 34.95 32.75 3kit s ARG 99 CO 0.18 -3.42 -0.03 0.99 -0.68 0.00 0.00 175.30 172.34 3kit s THR 100 N -2.84 0.21 0.17 0.02 2.01 -1.25 -3.20 115.64 110.77 3kit s THR 100 Ca 0.68 -0.30 0.10 0.00 0.31 0.00 0.00 61.69 62.48 3kit s THR 100 Cb -0.17 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 3kit s THR 100 CO 0.58 -0.06 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.83 3kit s SER 101 N -0.38 3.77 -0.53 3.53 0.01 -1.17 -1.01 113.70 117.92 3kit s SER 101 Ca -0.02 -0.71 0.04 0.00 1.31 0.00 0.00 55.95 56.56 3kit s SER 101 Cb -0.03 -0.45 0.16 0.00 0.21 0.00 0.00 66.02 65.90 3kit s SER 101 CO -0.00 0.13 0.35 -1.00 0.41 0.00 0.00 173.24 173.13 3kit s HIS 102 N -1.54 2.37 -0.22 2.43 3.76 0.80 0.25 115.29 123.14 3kit s HIS 102 Ca 0.21 -2.76 -0.29 0.00 -0.15 0.00 0.00 55.06 52.07 3kit s HIS 102 Cb -0.09 -1.98 0.01 0.00 1.11 0.00 0.00 32.58 31.63 3kit s HIS 102 CO 0.11 -0.71 1.03 0.42 -0.85 0.00 0.00 174.74 174.75 3kit s ILE 103 N -0.38 4.69 -0.03 0.60 1.01 -1.05 -1.56 121.20 124.49 3kit s ILE 103 Ca 0.24 2.02 0.04 0.00 0.00 0.00 0.00 60.65 62.96 3kit s ILE 103 Cb -0.11 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 3kit s ILE 103 CO -0.11 -0.16 -0.14 -0.89 0.00 0.00 0.00 174.94 173.64 3kit s THR 104 N 3.10 3.07 -0.01 2.92 2.01 -0.30 -0.10 115.64 126.32 3kit s THR 104 Ca 0.44 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.63 3kit s THR 104 Cb -0.15 -2.23 0.01 0.00 0.01 0.00 0.00 72.50 70.14 3kit s THR 104 CO 0.07 0.52 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.81 3kit s VAL 105 N -0.80 0.24 -0.05 3.82 1.01 -1.26 -2.03 120.40 121.33 3kit s VAL 105 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 3kit s VAL 105 Cb -0.11 -0.25 0.03 0.00 0.00 0.00 0.00 36.38 36.05 3kit s VAL 105 CO 0.02 0.10 0.02 0.27 0.00 0.00 0.00 175.10 175.51 3kit s ILE 106 N 0.31 0.17 0.12 2.22 -4.36 0.73 -0.33 121.20 120.06 3kit s ILE 106 Ca -0.03 0.22 -0.02 0.00 -0.26 0.00 0.00 60.65 60.56 3kit s ILE 106 Cb -0.06 -0.35 -0.05 0.00 1.25 0.00 0.00 42.46 43.25 3kit s ILE 106 CO -0.01 0.21 0.31 -0.76 0.24 0.00 0.00 174.94 174.94 3kit s LEU 107 N 1.85 4.30 0.00 0.37 1.02 0.11 -0.68 118.68 125.65 3kit s LEU 107 Ca 0.02 0.43 0.07 0.00 0.02 0.00 0.00 54.13 54.68 3kit s LEU 107 Cb -0.12 -3.15 -0.03 0.00 0.02 0.00 0.00 46.19 42.91 3kit s LEU 107 CO -0.04 0.09 0.27 0.61 0.02 0.00 0.00 176.35 177.30 3kit n GLY 108 N 0.07 2.93 3.69 -3.19 0.00 -0.79 -0.18 105.19 107.72 3kit n GLY 108 Ca -0.04 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 3kit n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kit s GLU 109 N -3.41 2.98 0.77 1.61 2.02 -1.26 -2.02 118.70 119.39 3kit s GLU 109 Ca 0.38 -0.42 -0.12 0.00 0.02 0.00 0.00 54.97 54.84 3kit s GLU 109 Cb 0.02 -2.80 0.05 0.00 0.10 0.00 0.00 34.13 31.50 3kit s GLU 109 CO 0.27 0.70 1.13 0.21 0.02 0.00 0.00 175.26 177.58 3kit s LYS 110 N -0.98 2.32 0.00 1.61 2.47 -0.51 -4.99 119.74 119.66 3kit s LYS 110 Ca 0.14 0.36 0.00 0.00 -1.56 0.00 0.00 55.97 54.91 3kit s LYS 110 Cb -0.11 -1.97 0.00 0.00 -1.46 0.00 0.00 37.83 34.29 3kit s LYS 110 CO 0.03 -1.40 0.00 -2.39 0.16 0.00 0.00 175.35 171.76 3kit n HIS 111 N -3.23 0.00 0.00 4.03 1.44 -1.26 -5.02 115.22 111.18 3kit n HIS 111 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 3kit n HIS 111 Cb 0.58 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.69 3kit n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kit n GLY 112 N 0.00 2.69 0.53 -1.39 0.00 -1.26 -5.22 105.19 100.54 3kit n GLY 112 Ca 0.00 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.17 3kit n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60