#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy s GLU 2 N 0.00 0.56 -0.13 2.12 -1.05 -1.26 -3.87 118.70 115.07 3kiy s GLU 2 Ca 0.00 0.67 -0.08 0.00 -0.15 0.00 0.00 54.97 55.41 3kiy s GLU 2 Cb 0.00 0.27 -0.04 0.00 -0.44 0.00 0.00 34.13 33.92 3kiy s GLU 2 CO 0.00 -0.07 0.15 0.00 0.95 0.00 0.00 175.26 176.30 3kiy s ALA 3 N 0.26 3.83 0.16 -0.84 0.00 0.14 -4.90 121.76 120.41 3kiy s ALA 3 Ca -0.00 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 51.39 3kiy s ALA 3 Cb -0.03 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 3kiy s ALA 3 CO 0.01 0.51 0.12 0.21 0.00 0.00 0.00 175.76 176.61 3kiy s LYS 4 N -0.74 2.84 0.00 0.00 2.20 -1.26 -0.61 119.74 122.17 3kiy s LYS 4 Ca 0.14 -0.89 0.00 0.00 -0.36 0.00 0.00 55.97 54.86 3kiy s LYS 4 Cb -0.12 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 3kiy s LYS 4 CO 0.03 0.49 0.00 0.00 -0.36 0.00 0.00 175.35 175.51 3kiy n ALA 5 N -0.27 0.00 -0.64 3.13 0.00 0.21 -4.57 120.51 118.37 3kiy n ALA 5 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3kiy n ALA 5 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3kiy n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kiy n ILE 6 N 0.00 -1.27 -3.85 0.00 5.41 -1.20 -4.81 119.36 113.64 3kiy n ILE 6 Ca 0.00 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 3kiy n ILE 6 Cb 0.00 -1.86 -0.12 0.00 -0.71 0.00 0.00 39.64 36.95 3kiy n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kiy s ALA 7 N 0.00 3.60 0.74 -1.39 0.00 0.26 -4.97 121.76 119.99 3kiy s ALA 7 Ca 0.00 -3.47 -0.12 0.00 0.00 0.00 0.00 51.96 48.36 3kiy s ALA 7 Cb 0.00 -2.35 0.04 0.00 0.00 0.00 0.00 23.12 20.81 3kiy s ALA 7 CO 0.00 -2.07 1.11 1.03 0.00 0.00 0.00 175.76 175.82 3kiy s ARG 8 N -0.64 2.37 -1.28 0.00 0.52 -1.26 -2.77 118.95 115.89 3kiy s ARG 8 Ca 0.20 1.31 -0.09 0.00 -0.52 0.00 0.00 55.73 56.62 3kiy s ARG 8 Cb -0.18 -1.90 -0.00 0.00 0.52 0.00 0.00 34.95 33.39 3kiy s ARG 8 CO -0.06 -1.57 0.61 0.66 0.02 0.00 0.00 175.30 174.95 3kiy n TYR 9 N -3.12 -1.78 0.00 -0.53 4.02 -1.19 -4.95 117.16 109.62 3kiy n TYR 9 Ca 0.10 0.62 0.00 0.00 -0.01 0.00 0.00 57.90 58.61 3kiy n TYR 9 Cb 0.52 -3.67 0.00 0.00 -0.02 0.00 0.00 39.34 36.18 3kiy n TYR 9 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3kiy n VAL 10 N -4.31 0.00 0.00 -0.72 0.31 0.18 -4.91 118.33 108.88 3kiy n VAL 10 Ca -0.22 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3kiy n VAL 10 Cb 0.64 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 3kiy n VAL 10 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3kiy n ARG 11 N 0.00 0.00 -3.57 5.55 0.00 -1.26 -4.80 116.66 112.57 3kiy n ARG 11 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 3kiy n ARG 11 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 3kiy n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 3kiy s ILE 12 N 0.00 0.00 -0.04 5.15 2.07 -1.21 -4.93 121.20 122.24 3kiy s ILE 12 Ca 0.00 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.94 3kiy s ILE 12 Cb 0.00 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 3kiy s ILE 12 CO 0.00 0.00 1.43 -0.55 -1.91 0.00 0.00 174.94 173.91 3kiy s SER 13 N -1.24 6.82 0.17 4.50 0.15 -1.26 -2.65 113.70 120.19 3kiy s SER 13 Ca -0.01 2.07 -0.26 0.00 0.70 0.00 0.00 55.95 58.45 3kiy s SER 13 Cb -0.00 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.79 3kiy s SER 13 CO 0.01 -0.77 1.56 -0.65 1.20 0.00 0.00 173.24 174.58 3kiy h PRO 14 N 8.29 -0.19 0.00 5.44 0.11 -1.90 0.67 132.00 144.41 3kiy h PRO 14 Ca -0.36 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kiy h PRO 14 Cb 1.16 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kiy h PRO 14 CO 0.93 -0.12 0.61 -0.09 -0.21 0.00 0.00 178.00 179.11 3kiy h ARG 15 N -0.19 0.00 0.00 1.05 2.43 -1.93 0.79 114.38 116.52 3kiy h ARG 15 Ca 0.18 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 3kiy h ARG 15 Cb 0.55 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3kiy h ARG 15 CO -0.74 0.00 -0.60 0.87 -1.51 0.00 0.00 179.97 177.99 3kiy h LYS 16 N 0.00 0.00 -0.15 0.20 1.57 -0.04 -3.37 116.57 114.78 3kiy h LYS 16 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3kiy h LYS 16 Cb 1.22 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.46 3kiy h LYS 16 CO 0.00 0.45 -0.29 0.28 -0.57 0.00 0.00 179.45 179.32 3kiy h VAL 17 N -1.00 0.33 -0.80 0.50 2.07 -0.38 -2.17 116.25 114.79 3kiy h VAL 17 Ca -0.11 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.54 3kiy h VAL 17 Cb 0.74 0.33 -0.14 0.00 -1.52 0.00 0.00 31.29 30.70 3kiy h VAL 17 CO -0.07 0.00 -0.28 0.54 0.02 0.00 0.00 177.57 177.79 3kiy n ARG 18 N -5.40 -0.15 -0.27 1.57 1.74 -0.28 -0.03 116.66 113.84 3kiy n ARG 18 Ca -0.03 1.24 0.21 0.00 -0.77 0.00 0.00 57.85 58.50 3kiy n ARG 18 Cb 0.31 -1.84 0.39 0.00 -1.02 0.00 0.00 32.46 30.30 3kiy n ARG 18 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kiy n LEU 19 N -5.22 0.14 0.01 0.55 4.32 -0.82 -0.14 117.00 115.85 3kiy n LEU 19 Ca 0.10 1.37 -0.22 0.00 -0.02 0.00 0.00 56.01 57.24 3kiy n LEU 19 Cb 0.35 -0.60 -0.14 0.00 -1.62 0.00 0.00 43.42 41.40 3kiy n LEU 19 CO -0.11 -1.48 -0.75 -0.37 -1.22 0.00 0.00 177.39 173.46 3kiy h VAL 20 N 0.00 0.69 -0.95 4.08 -1.51 -0.61 -3.28 116.25 114.67 3kiy h VAL 20 Ca 0.62 -2.36 0.22 0.00 -1.23 0.00 0.00 66.70 63.94 3kiy h VAL 20 Cb 1.54 2.54 -0.08 0.00 -2.13 0.00 0.00 31.29 33.16 3kiy h VAL 20 CO -0.68 0.88 0.62 0.58 -1.23 0.00 0.00 177.57 177.73 3kiy h VAL 21 N 0.03 0.65 -0.75 7.19 2.07 -0.53 1.02 116.25 125.93 3kiy h VAL 21 Ca -0.41 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 3kiy h VAL 21 Cb 2.02 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 3kiy h VAL 21 CO 0.09 0.08 0.36 0.44 0.02 0.00 0.00 177.57 178.56 3kiy h ASP 22 N 0.46 0.98 -0.02 0.57 3.45 -0.64 -2.52 116.42 118.70 3kiy h ASP 22 Ca 0.51 -0.11 0.01 0.00 0.43 0.00 0.00 57.03 57.87 3kiy h ASP 22 Cb 1.21 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 39.73 3kiy h ASP 22 CO -0.23 0.83 0.10 0.25 -1.57 0.00 0.00 179.24 178.62 3kiy h LEU 23 N 1.07 0.00 -2.40 1.55 5.85 0.10 -3.06 115.31 118.43 3kiy h LEU 23 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3kiy h LEU 23 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3kiy h LEU 23 CO -0.03 0.00 0.00 2.30 -0.34 0.00 0.00 178.44 180.37 3kiy n ILE 24 N -3.18 0.71 -1.90 4.05 -5.35 -0.96 -5.03 119.36 107.70 3kiy n ILE 24 Ca -0.02 -0.76 -0.41 0.00 -0.27 0.00 0.00 62.75 61.28 3kiy n ILE 24 Cb 0.18 0.67 -0.02 0.00 -1.74 0.00 0.00 39.64 38.73 3kiy n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3kiy s ARG 25 N -0.71 4.20 -0.47 6.28 3.52 -1.13 -3.39 118.95 127.25 3kiy s ARG 25 Ca 0.00 2.43 -0.20 0.00 -0.13 0.00 0.00 55.73 57.84 3kiy s ARG 25 Cb 0.00 -3.06 0.03 0.00 -1.56 0.00 0.00 34.95 30.36 3kiy s ARG 25 CO 0.00 -0.50 0.62 0.41 -0.81 0.00 0.00 175.30 175.03 3kiy n GLY 26 N 1.85 -0.98 3.54 8.12 0.00 -0.52 -5.02 105.19 112.17 3kiy n GLY 26 Ca 0.06 1.17 -0.14 0.00 0.00 0.00 0.00 46.02 47.11 3kiy n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiy s LYS 27 N -2.66 0.76 0.17 1.61 -0.14 -1.22 -4.93 119.74 113.33 3kiy s LYS 27 Ca 0.26 0.84 -0.33 0.00 -1.36 0.00 0.00 55.97 55.38 3kiy s LYS 27 Cb -0.06 0.37 -0.13 0.00 -1.68 0.00 0.00 37.83 36.33 3kiy s LYS 27 CO 0.80 -0.10 1.67 -1.13 -0.76 0.00 0.00 175.35 175.83 3kiy n SER 28 N 2.63 3.58 -0.46 2.83 3.41 -1.26 -1.62 113.62 122.73 3kiy n SER 28 Ca -0.14 1.06 0.39 0.00 -0.26 0.00 0.00 58.87 59.92 3kiy n SER 28 Cb 0.56 -1.50 0.60 0.00 -0.26 0.00 0.00 64.21 63.60 3kiy n SER 28 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3kiy n LEU 29 N 3.91 0.00 -0.01 1.04 7.94 -0.37 0.59 117.00 130.10 3kiy n LEU 29 Ca 0.17 0.81 -0.18 0.00 -1.11 0.00 0.00 56.01 55.69 3kiy n LEU 29 Cb 0.32 -0.36 -0.14 0.00 0.53 0.00 0.00 43.42 43.77 3kiy n LEU 29 CO 0.64 -0.81 -0.78 1.21 -1.11 0.00 0.00 177.39 176.54 3kiy n GLU 30 N -3.45 0.73 -0.33 1.96 2.13 -1.26 -1.79 120.64 118.63 3kiy n GLU 30 Ca 0.32 0.26 -0.04 0.00 0.66 0.00 0.00 57.16 58.36 3kiy n GLU 30 Cb 1.65 -1.71 0.08 0.00 0.27 0.00 0.00 31.44 31.73 3kiy n GLU 30 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3kiy h GLU 31 N 0.05 1.23 0.42 5.31 4.81 -0.19 -0.33 114.58 125.87 3kiy h GLU 31 Ca -0.41 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 3kiy h GLU 31 Cb 2.03 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 31.17 3kiy h GLU 31 CO 0.08 0.89 -0.20 0.00 -0.73 0.00 0.00 179.01 179.05 3kiy h ALA 32 N 1.26 -0.57 -0.76 2.92 0.00 -0.78 0.23 119.26 121.57 3kiy h ALA 32 Ca 0.31 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.20 3kiy h ALA 32 Cb 0.02 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 17.92 3kiy h ALA 32 CO -0.05 -0.67 0.22 0.00 0.00 0.00 0.00 179.25 178.75 3kiy h ARG 33 N -0.86 0.30 -0.74 0.00 3.08 -1.19 0.69 114.38 115.67 3kiy h ARG 33 Ca -0.06 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3kiy h ARG 33 Cb 0.56 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3kiy h ARG 33 CO 0.10 0.20 0.38 -0.91 -1.07 0.00 0.00 179.97 178.66 3kiy h ASN 34 N 0.31 0.94 0.00 7.04 4.21 -0.91 0.14 115.58 127.31 3kiy h ASN 34 Ca 0.43 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.83 3kiy h ASN 34 Cb 0.74 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 3kiy h ASN 34 CO -0.50 0.79 0.00 -0.38 -1.29 0.00 0.00 177.43 176.05 3kiy n ILE 35 N -4.44 0.00 -0.31 2.81 2.08 0.11 -2.53 119.36 117.08 3kiy n ILE 35 Ca 0.06 1.29 0.05 0.00 0.56 0.00 0.00 62.75 64.71 3kiy n ILE 35 Cb 0.11 -2.28 0.13 0.00 -0.75 0.00 0.00 39.64 36.84 3kiy n ILE 35 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3kiy n LEU 36 N -1.37 -0.30 -0.34 1.39 4.77 -0.44 0.07 117.00 120.78 3kiy n LEU 36 Ca 0.00 1.48 0.03 0.00 -0.03 0.00 0.00 56.01 57.49 3kiy n LEU 36 Cb 0.00 -0.45 0.10 0.00 -2.33 0.00 0.00 43.42 40.74 3kiy n LEU 36 CO 0.00 -1.42 0.65 -0.09 -1.33 0.00 0.00 177.39 175.19 3kiy h ARG 37 N 0.00 -0.01 -0.45 3.23 9.65 -0.58 -1.50 114.38 124.71 3kiy h ARG 37 Ca 0.42 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 59.20 3kiy h ARG 37 Cb 0.65 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.17 3kiy h ARG 37 CO -0.88 -0.01 0.07 0.66 2.80 0.00 0.00 179.97 182.61 3kiy n TYR 38 N -5.56 1.55 -3.36 2.20 4.01 0.11 -4.93 117.16 111.17 3kiy n TYR 38 Ca 0.13 -1.08 -0.43 0.00 -0.16 0.00 0.00 57.90 56.36 3kiy n TYR 38 Cb 0.45 -0.48 -0.09 0.00 -0.31 0.00 0.00 39.34 38.91 3kiy n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3kiy s THR 39 N -2.95 5.14 -0.98 -0.72 2.01 -0.57 -5.01 115.64 112.57 3kiy s THR 39 Ca 0.48 -0.44 -0.24 0.00 0.31 0.00 0.00 61.69 61.79 3kiy s THR 39 Cb 0.39 -4.01 -0.08 0.00 0.01 0.00 0.00 72.50 68.81 3kiy s THR 39 CO 0.09 -0.39 2.02 0.21 -0.69 0.00 0.00 174.62 175.86 3kiy s ASN 40 N 1.77 4.83 -0.15 3.53 2.47 -1.26 -4.65 114.94 121.47 3kiy s ASN 40 Ca 0.10 -0.86 -0.29 0.00 0.42 0.00 0.00 52.86 52.22 3kiy s ASN 40 Cb -0.18 -2.57 0.11 0.00 -1.45 0.00 0.00 41.25 37.16 3kiy s ASN 40 CO 0.12 -3.12 0.89 -0.54 -3.72 0.00 0.00 177.10 170.73 3kiy s LYS 41 N 7.21 0.73 0.48 0.43 -0.14 -1.26 -5.03 119.74 122.16 3kiy s LYS 41 Ca 0.73 0.30 0.17 0.00 -1.36 0.00 0.00 55.97 55.82 3kiy s LYS 41 Cb -0.06 0.35 1.15 0.00 -1.68 0.00 0.00 37.83 37.59 3kiy s LYS 41 CO 0.05 -0.20 2.04 -0.09 -0.76 0.00 0.00 175.35 176.39 3kiy h ARG 42 N 3.10 0.00 -0.21 1.68 2.43 -1.99 -2.37 114.38 117.02 3kiy h ARG 42 Ca -0.23 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 3kiy h ARG 42 Cb 1.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 3kiy h ARG 42 CO 0.28 0.14 -0.06 0.78 -1.51 0.00 0.00 179.97 179.60 3kiy h GLY 43 N 0.47 0.35 -0.02 2.80 0.00 -1.92 -3.19 103.07 101.56 3kiy h GLY 43 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3kiy h GLY 43 CO 0.02 0.19 -0.03 0.00 0.00 0.00 0.00 176.54 176.72 3kiy h ALA 44 N 1.62 -0.33 -0.70 3.60 0.00 -1.69 -0.78 119.26 120.99 3kiy h ALA 44 Ca 0.07 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.16 3kiy h ALA 44 Cb 0.32 0.72 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 3kiy h ALA 44 CO 0.01 -0.34 -0.03 0.98 0.00 0.00 0.00 179.25 179.88 3kiy n TYR 45 N -2.84 0.40 -0.05 0.00 9.36 -1.21 -0.04 117.16 122.78 3kiy n TYR 45 Ca -0.00 0.85 -0.15 0.00 3.32 0.00 0.00 57.90 61.92 3kiy n TYR 45 Cb 0.02 -1.00 -0.13 0.00 -0.63 0.00 0.00 39.34 37.60 3kiy n TYR 45 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3kiy h PHE 46 N 0.00 0.09 0.00 2.98 0.04 -1.56 -2.63 116.94 115.86 3kiy h PHE 46 Ca 0.40 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 61.11 3kiy h PHE 46 Cb 0.79 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.94 3kiy h PHE 46 CO -0.40 0.97 -0.02 0.28 -0.60 0.00 0.00 178.31 178.54 3kiy h VAL 47 N -0.81 0.43 0.03 -0.55 2.07 0.32 -0.16 116.25 117.58 3kiy h VAL 47 Ca -0.02 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3kiy h VAL 47 Cb 1.01 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3kiy h VAL 47 CO 0.02 0.02 -0.02 0.00 0.02 0.00 0.00 177.57 177.62 3kiy h ALA 48 N 1.98 -0.49 -0.99 1.67 0.00 -0.52 -2.57 119.26 118.33 3kiy h ALA 48 Ca -0.00 -0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.26 3kiy h ALA 48 Cb 0.08 0.02 -0.17 0.00 0.00 0.00 0.00 17.79 17.71 3kiy h ALA 48 CO 0.00 -0.48 0.43 -0.22 0.00 0.00 0.00 179.25 178.97 3kiy h LYS 49 N -0.08 0.07 -0.06 0.00 3.64 -1.06 0.82 116.57 119.90 3kiy h LYS 49 Ca -0.00 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 3kiy h LYS 49 Cb 0.03 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3kiy h LYS 49 CO 0.01 0.04 -0.45 -0.24 -2.27 0.00 0.00 179.45 176.54 3kiy h VAL 50 N 0.07 1.33 0.72 2.00 3.04 -1.09 -2.25 116.25 120.07 3kiy h VAL 50 Ca 0.76 -1.60 -0.04 0.00 -1.01 0.00 0.00 66.70 64.82 3kiy h VAL 50 Cb 1.89 1.78 0.01 0.00 -2.01 0.00 0.00 31.29 32.96 3kiy h VAL 50 CO -0.77 0.47 -0.35 0.25 -1.01 0.00 0.00 177.57 176.16 3kiy h LEU 51 N 0.12 -0.82 -0.84 3.16 6.46 0.11 -2.15 115.31 121.35 3kiy h LEU 51 Ca 0.01 0.03 0.20 0.00 -0.12 0.00 0.00 57.88 58.00 3kiy h LEU 51 Cb 0.85 0.21 -0.15 0.00 -0.73 0.00 0.00 40.66 40.84 3kiy h LEU 51 CO 0.07 -0.46 0.02 -0.08 -0.62 0.00 0.00 178.44 177.36 3kiy h GLU 52 N -1.21 0.08 -0.43 1.25 4.57 -1.28 0.39 114.58 117.94 3kiy h GLU 52 Ca -0.10 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3kiy h GLU 52 Cb 0.74 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.29 3kiy h GLU 52 CO 0.16 0.05 0.25 1.03 -1.18 0.00 0.00 179.01 179.33 3kiy h SER 53 N 0.08 0.41 -0.60 1.04 0.87 -1.33 -0.67 113.55 113.36 3kiy h SER 53 Ca 0.48 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.94 3kiy h SER 53 Cb 0.89 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 3kiy h SER 53 CO -0.75 0.30 0.01 0.00 -0.53 0.00 0.00 176.83 175.85 3kiy h ALA 54 N 1.19 0.86 -0.37 6.23 0.00 0.27 -2.93 119.26 124.50 3kiy h ALA 54 Ca 0.17 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kiy h ALA 54 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kiy h ALA 54 CO -0.08 0.67 0.23 0.00 0.00 0.00 0.00 179.25 180.07 3kiy h ALA 55 N 1.02 0.48 0.00 0.00 0.00 -0.17 -1.14 119.26 119.45 3kiy h ALA 55 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kiy h ALA 55 Cb 0.55 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kiy h ALA 55 CO 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3kiy n ALA 56 N -2.22 2.04 -0.05 0.00 0.00 -0.29 -1.60 120.51 118.39 3kiy n ALA 56 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3kiy n ALA 56 Cb 0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 3kiy n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kiy n ASN 57 N -0.48 3.18 0.23 0.00 5.03 -0.52 -3.67 115.26 119.02 3kiy n ASN 57 Ca 0.00 -0.05 -0.15 0.00 0.87 0.00 0.00 54.58 55.25 3kiy n ASN 57 Cb 0.00 -0.16 -0.08 0.00 -1.02 0.00 0.00 39.78 38.53 3kiy n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kiy h ALA 58 N -0.01 -0.68 0.74 5.41 0.00 -0.34 -2.11 119.26 122.26 3kiy h ALA 58 Ca -0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3kiy h ALA 58 Cb 1.33 0.40 0.01 0.00 0.00 0.00 0.00 17.79 19.53 3kiy h ALA 58 CO -0.04 -0.91 -0.35 0.28 0.00 0.00 0.00 179.25 178.23 3kiy h VAL 59 N -0.68 0.28 0.00 0.00 2.07 -1.57 -1.72 116.25 114.63 3kiy h VAL 59 Ca -0.03 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3kiy h VAL 59 Cb 0.59 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3kiy h VAL 59 CO -0.01 0.00 0.00 -3.20 0.02 0.00 0.00 177.57 174.38 3kiy n ASN 60 N -5.51 0.00 0.33 0.57 2.85 -1.19 -2.07 115.26 110.24 3kiy n ASN 60 Ca -0.14 0.00 0.17 0.00 -0.11 0.00 0.00 54.58 54.49 3kiy n ASN 60 Cb 0.40 0.00 0.89 0.00 1.24 0.00 0.00 39.78 42.31 3kiy n ASN 60 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 3kiy h ASN 61 N 0.00 0.00 0.00 1.20 -0.26 -1.62 -2.97 115.58 111.93 3kiy h ASN 61 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3kiy h ASN 61 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3kiy h ASN 61 CO 0.00 0.00 -0.11 1.41 -1.06 0.00 0.00 177.43 177.67 3kiy n HIS 62 N -2.89 0.00 -1.71 1.19 8.25 -0.96 -5.05 115.22 114.06 3kiy n HIS 62 Ca -0.02 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 3kiy n HIS 62 Cb 0.31 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3kiy n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3kiy n ASP 63 N -0.39 -3.09 0.00 0.41 5.75 -0.69 -4.91 116.55 113.63 3kiy n ASP 63 Ca 0.03 0.22 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 3kiy n ASP 63 Cb 0.50 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 3kiy n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3kiy n MET 64 N 0.96 1.80 -0.87 0.11 2.81 -0.92 -4.96 117.12 116.06 3kiy n MET 64 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3kiy n MET 64 Cb 0.20 -0.89 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 3kiy n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3kiy n LEU 65 N -1.29 -1.42 -0.39 4.03 7.94 -1.26 -4.71 117.00 119.89 3kiy n LEU 65 Ca 0.00 0.00 0.37 0.00 -1.11 0.00 0.00 56.01 55.27 3kiy n LEU 65 Cb 0.10 -0.71 0.74 0.00 0.53 0.00 0.00 43.42 44.08 3kiy n LEU 65 CO 0.00 0.00 1.34 -0.08 -1.11 0.00 0.00 177.39 177.54 3kiy h GLU 66 N 0.00 0.04 0.00 1.96 4.81 -1.95 -0.28 114.58 119.15 3kiy h GLU 66 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kiy h GLU 66 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3kiy h GLU 66 CO 0.00 0.03 0.00 -0.25 -0.73 0.00 0.00 179.01 178.06 3kiy n ASP 67 N -4.21 0.61 -0.31 1.04 8.00 -1.26 -3.26 116.55 117.15 3kiy n ASP 67 Ca 0.29 0.59 0.03 0.00 0.71 0.00 0.00 54.79 56.42 3kiy n ASP 67 Cb 1.35 -0.74 0.07 0.00 -0.02 0.00 0.00 41.12 41.78 3kiy n ASP 67 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kiy n ARG 68 N -2.11 2.24 -2.81 -1.24 1.74 -0.12 -5.02 116.66 109.33 3kiy n ARG 68 Ca 0.04 -1.58 -0.41 0.00 -0.77 0.00 0.00 57.85 55.13 3kiy n ARG 68 Cb 0.33 -1.14 -0.05 0.00 -1.02 0.00 0.00 32.46 30.59 3kiy n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kiy s LEU 69 N -0.89 4.49 0.11 0.55 1.43 -1.20 -1.12 118.68 122.05 3kiy s LEU 69 Ca 0.11 1.68 -0.07 0.00 -1.03 0.00 0.00 54.13 54.82 3kiy s LEU 69 Cb 0.06 -3.47 -0.01 0.00 0.03 0.00 0.00 46.19 42.80 3kiy s LEU 69 CO 0.08 -0.03 0.18 -0.72 0.23 0.00 0.00 176.35 176.09 3kiy s TYR 70 N -0.05 0.35 -0.81 0.29 -0.00 -1.06 -1.23 117.35 114.84 3kiy s TYR 70 Ca 0.44 -0.76 -0.25 0.00 -0.00 0.00 0.00 57.07 56.49 3kiy s TYR 70 Cb -0.22 -0.14 0.00 0.00 -0.00 0.00 0.00 41.96 41.60 3kiy s TYR 70 CO 0.28 -0.58 1.64 0.08 -0.00 0.00 0.00 175.55 176.97 3kiy s VAL 71 N -3.92 3.60 0.32 -3.49 1.01 -0.64 -2.28 120.40 115.00 3kiy s VAL 71 Ca 0.11 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.04 3kiy s VAL 71 Cb 0.05 -4.46 0.10 0.00 0.00 0.00 0.00 36.38 32.07 3kiy s VAL 71 CO -0.06 -1.39 1.79 0.50 0.00 0.00 0.00 175.10 175.94 3kiy h LYS 72 N 11.64 0.34 -1.67 2.72 3.64 -1.05 -1.39 116.57 130.80 3kiy h LYS 72 Ca -0.07 -0.11 0.18 0.00 -1.27 0.00 0.00 60.65 59.38 3kiy h LYS 72 Cb 1.06 -0.03 -0.19 0.00 -0.41 0.00 0.00 32.23 32.66 3kiy h LYS 72 CO 1.28 0.56 0.69 0.00 -2.27 0.00 0.00 179.45 179.71 3kiy s ALA 73 N -4.52 -1.99 -0.08 5.00 0.00 -1.07 -4.73 121.76 114.37 3kiy s ALA 73 Ca -0.06 1.47 -0.30 0.00 0.00 0.00 0.00 51.96 53.08 3kiy s ALA 73 Cb 0.14 -0.21 0.10 0.00 0.00 0.00 0.00 23.12 23.16 3kiy s ALA 73 CO 0.76 -0.54 0.85 0.00 0.00 0.00 0.00 175.76 176.84 3kiy s ALA 74 N -2.25 -1.84 -0.06 0.00 0.00 -1.26 -1.47 121.76 114.88 3kiy s ALA 74 Ca 0.06 1.33 -0.31 0.00 0.00 0.00 0.00 51.96 53.05 3kiy s ALA 74 Cb -0.01 -0.19 0.11 0.00 0.00 0.00 0.00 23.12 23.04 3kiy s ALA 74 CO -0.05 -0.43 0.98 1.52 0.00 0.00 0.00 175.76 177.78 3kiy s TYR 75 N -1.67 -0.29 -0.11 0.00 -0.00 -1.02 -5.01 117.35 109.26 3kiy s TYR 75 Ca -0.03 0.19 -0.01 0.00 -0.00 0.00 0.00 57.07 57.22 3kiy s TYR 75 Cb -0.00 0.53 0.03 0.00 -0.00 0.00 0.00 41.96 42.51 3kiy s TYR 75 CO 0.01 -0.45 -0.04 0.54 -0.00 0.00 0.00 175.55 175.62 3kiy s VAL 76 N -2.86 0.78 0.38 -3.49 0.11 -1.26 -1.22 120.40 112.84 3kiy s VAL 76 Ca 0.06 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 58.94 3kiy s VAL 76 Cb -0.01 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 3kiy s VAL 76 CO -0.08 0.28 0.58 -1.81 -3.33 0.00 0.00 175.10 170.75 3kiy s ASP 77 N 1.80 6.07 0.01 3.54 1.01 -1.12 -4.85 116.67 123.13 3kiy s ASP 77 Ca 0.04 0.29 -0.21 0.00 0.71 0.00 0.00 52.55 53.39 3kiy s ASP 77 Cb -0.13 -1.73 -0.06 0.00 1.01 0.00 0.00 42.92 42.01 3kiy s ASP 77 CO -0.07 -0.46 0.60 -0.70 0.21 0.00 0.00 175.17 174.74 3kiy s GLU 78 N -4.38 4.31 0.56 8.23 2.12 -1.26 -0.57 118.70 127.70 3kiy s GLU 78 Ca 0.44 0.75 0.08 0.00 0.36 0.00 0.00 54.97 56.60 3kiy s GLU 78 Cb -0.10 -3.33 0.07 0.00 0.26 0.00 0.00 34.13 31.04 3kiy s GLU 78 CO 0.36 0.41 0.67 0.20 -0.54 0.00 0.00 175.26 176.36 3kiy s GLY 79 N -0.34 1.91 0.25 -1.50 0.00 0.17 -4.86 107.32 102.95 3kiy s GLY 79 Ca 0.31 -1.89 -0.31 0.00 0.00 0.00 0.00 44.72 42.83 3kiy s GLY 79 CO 0.18 -1.75 1.49 -1.55 0.00 0.00 0.00 173.10 171.48 3kiy n PRO 80 N -2.09 2.30 -1.03 2.90 -0.04 -1.26 -4.27 135.00 131.51 3kiy n PRO 80 Ca 0.11 0.82 -0.29 0.00 -0.04 0.00 0.00 63.50 64.10 3kiy n PRO 80 Cb 0.62 -2.53 0.18 0.00 -0.04 0.00 0.00 33.50 31.73 3kiy n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kiy s ALA 81 N 0.06 0.88 -0.52 0.55 0.00 -1.26 -4.40 121.76 117.06 3kiy s ALA 81 Ca 0.68 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.51 3kiy s ALA 81 Cb -0.59 -3.18 0.13 0.00 0.00 0.00 0.00 23.12 19.47 3kiy s ALA 81 CO 0.48 -2.89 0.27 -1.17 0.00 0.00 0.00 175.76 172.45 3kiy s LEU 82 N -6.55 4.31 -0.03 0.00 2.96 0.66 -4.96 118.68 115.07 3kiy s LEU 82 Ca 0.65 -3.04 -0.30 0.00 -0.22 0.00 0.00 54.13 51.23 3kiy s LEU 82 Cb -0.20 -1.64 -0.06 0.00 0.50 0.00 0.00 46.19 44.79 3kiy s LEU 82 CO 0.59 -0.23 1.72 -0.54 -1.32 0.00 0.00 176.35 176.57 3kiy s LYS 83 N -0.32 4.17 0.08 1.98 -0.14 -1.26 -1.54 119.74 122.72 3kiy s LYS 83 Ca 0.17 2.29 0.05 0.00 -1.36 0.00 0.00 55.97 57.12 3kiy s LYS 83 Cb -0.25 -4.02 -0.03 0.00 -1.68 0.00 0.00 37.83 31.85 3kiy s LYS 83 CO -0.00 -0.87 -0.14 1.03 -0.76 0.00 0.00 175.35 174.61 3kiy s ARG 84 N 4.10 0.86 -0.04 1.68 1.81 -0.43 -4.99 118.95 121.94 3kiy s ARG 84 Ca 0.77 -1.03 -0.10 0.00 -1.72 0.00 0.00 55.73 53.64 3kiy s ARG 84 Cb -0.35 -0.82 -0.05 0.00 -0.45 0.00 0.00 34.95 33.27 3kiy s ARG 84 CO 0.32 0.17 0.29 0.08 -0.68 0.00 0.00 175.30 175.48 3kiy s VAL 85 N -1.54 5.25 -0.27 3.52 1.01 -1.26 0.44 120.40 127.56 3kiy s VAL 85 Ca 0.01 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.50 3kiy s VAL 85 Cb -0.08 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.80 3kiy s VAL 85 CO 0.02 0.55 -0.04 -0.22 0.00 0.00 0.00 175.10 175.42 3kiy s LEU 86 N -1.19 3.22 0.13 3.92 2.96 0.26 -4.85 118.68 123.13 3kiy s LEU 86 Ca 0.21 -1.47 -0.31 0.00 -0.22 0.00 0.00 54.13 52.34 3kiy s LEU 86 Cb -0.14 -1.35 -0.09 0.00 0.50 0.00 0.00 46.19 45.11 3kiy s LEU 86 CO 0.10 -0.26 1.51 -2.16 -1.32 0.00 0.00 176.35 174.22 3kiy s PRO 87 N 1.23 4.25 0.32 0.98 0.04 -1.26 0.15 135.00 140.71 3kiy s PRO 87 Ca -0.02 2.24 0.02 0.00 0.04 0.00 0.00 61.00 63.28 3kiy s PRO 87 Cb -0.19 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.12 3kiy s PRO 87 CO -0.08 -0.56 0.14 0.54 0.04 0.00 0.00 177.00 177.08 3kiy n ARG 88 N 4.16 1.12 -2.39 4.56 5.12 -1.26 -4.75 116.66 123.21 3kiy n ARG 88 Ca 0.13 -2.12 -0.36 0.00 -1.93 0.00 0.00 57.85 53.57 3kiy n ARG 88 Cb 0.40 0.38 -0.02 0.00 -1.16 0.00 0.00 32.46 32.06 3kiy n ARG 88 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kiy s ALA 89 N -2.49 2.97 -1.18 7.54 0.00 -1.26 -3.17 121.76 124.17 3kiy s ALA 89 Ca 0.11 0.80 -0.07 0.00 0.00 0.00 0.00 51.96 52.80 3kiy s ALA 89 Cb -0.01 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.79 3kiy s ALA 89 CO 0.07 -0.47 1.03 0.54 0.00 0.00 0.00 175.76 176.92 3kiy n ARG 90 N -0.51 -6.89 -2.95 0.00 1.74 -1.26 -2.65 116.66 104.14 3kiy n ARG 90 Ca 0.07 0.74 -0.19 0.00 -0.77 0.00 0.00 57.85 57.70 3kiy n ARG 90 Cb 0.50 -5.49 0.00 0.00 -1.02 0.00 0.00 32.46 26.44 3kiy n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kiy n GLY 91 N -1.73 -0.50 0.19 -0.13 0.00 -1.19 -4.91 105.19 96.92 3kiy n GLY 91 Ca -0.03 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3kiy n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kiy h ARG 92 N -0.67 0.60 -4.71 1.61 3.08 -1.49 -3.46 114.38 109.34 3kiy h ARG 92 Ca -0.40 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.33 3kiy h ARG 92 Cb 1.28 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 3kiy h ARG 92 CO 0.47 0.93 -0.67 0.00 -1.07 0.00 0.00 179.97 179.63 3kiy n ALA 93 N -2.48 -1.83 -2.35 0.04 0.00 -1.26 -4.78 120.51 107.85 3kiy n ALA 93 Ca -0.05 0.58 -0.23 0.00 0.00 0.00 0.00 53.44 53.75 3kiy n ALA 93 Cb 0.45 -1.58 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 3kiy n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kiy s ASP 94 N -0.36 4.66 -0.18 0.00 -0.00 0.12 -4.88 116.67 116.04 3kiy s ASP 94 Ca -0.04 -0.95 -0.00 0.00 -0.00 0.00 0.00 52.55 51.55 3kiy s ASP 94 Cb 0.00 -0.51 0.01 0.00 -0.00 0.00 0.00 42.92 42.42 3kiy s ASP 94 CO 0.12 -0.59 -0.15 0.27 -0.00 0.00 0.00 175.17 174.82 3kiy s ILE 95 N -2.55 2.52 0.26 0.77 -4.36 -1.26 0.91 121.20 117.48 3kiy s ILE 95 Ca 0.44 -0.80 -0.08 0.00 -0.26 0.00 0.00 60.65 59.95 3kiy s ILE 95 Cb 0.01 -2.08 -0.06 0.00 1.25 0.00 0.00 42.46 41.58 3kiy s ILE 95 CO 0.25 0.51 0.56 -0.51 0.24 0.00 0.00 174.94 175.98 3kiy s ILE 96 N 1.18 4.97 -0.37 8.37 2.07 0.17 -4.89 121.20 132.70 3kiy s ILE 96 Ca 0.02 0.31 -0.03 0.00 -1.41 0.00 0.00 60.65 59.53 3kiy s ILE 96 Cb -0.14 -3.67 0.08 0.00 0.13 0.00 0.00 42.46 38.87 3kiy s ILE 96 CO -0.07 -0.19 0.14 -0.54 -1.91 0.00 0.00 174.94 172.38 3kiy s LYS 97 N -3.15 2.24 -0.72 3.50 1.02 -1.26 -1.32 119.74 120.05 3kiy s LYS 97 Ca 0.46 -1.57 -0.27 0.00 0.02 0.00 0.00 55.97 54.62 3kiy s LYS 97 Cb -0.11 -3.48 0.02 0.00 -0.52 0.00 0.00 37.83 33.74 3kiy s LYS 97 CO 0.25 -0.89 1.45 0.15 -0.92 0.00 0.00 175.35 175.39 3kiy s LYS 98 N 1.22 3.05 1.06 1.68 -0.14 -0.59 -4.84 119.74 121.19 3kiy s LYS 98 Ca 0.03 -0.06 -0.15 0.00 -1.36 0.00 0.00 55.97 54.43 3kiy s LYS 98 Cb -0.22 -4.30 0.22 0.00 -1.68 0.00 0.00 37.83 31.85 3kiy s LYS 98 CO -0.02 -2.32 1.11 1.03 -0.76 0.00 0.00 175.35 174.38 3kiy s ARG 99 N 6.06 -0.11 -0.05 1.68 1.81 -1.26 -0.25 118.95 126.84 3kiy s ARG 99 Ca 0.44 0.26 -0.06 0.00 -1.72 0.00 0.00 55.73 54.65 3kiy s ARG 99 Cb -0.09 -1.70 0.01 0.00 -0.45 0.00 0.00 34.95 32.73 3kiy s ARG 99 CO 0.15 -3.04 0.15 -0.08 -0.68 0.00 0.00 175.30 171.81 3kiy s THR 100 N -3.04 0.02 0.28 0.02 -1.32 -1.24 -3.29 115.64 107.07 3kiy s THR 100 Ca 0.67 -0.13 0.08 0.00 -1.21 0.00 0.00 61.69 61.10 3kiy s THR 100 Cb -0.15 -0.27 -0.04 0.00 -1.51 0.00 0.00 72.50 70.53 3kiy s THR 100 CO 0.57 -0.07 0.13 -0.44 -2.21 0.00 0.00 174.62 172.59 3kiy s SER 101 N -0.20 5.07 -0.52 8.08 0.01 -1.09 0.42 113.70 125.47 3kiy s SER 101 Ca -0.03 -0.47 0.06 0.00 1.31 0.00 0.00 55.95 56.82 3kiy s SER 101 Cb -0.02 -1.09 0.21 0.00 0.21 0.00 0.00 66.02 65.33 3kiy s SER 101 CO 0.00 -0.09 0.52 1.41 0.41 0.00 0.00 173.24 175.50 3kiy n HIS 102 N -1.10 1.22 -2.01 2.43 8.25 0.27 0.52 115.22 124.80 3kiy n HIS 102 Ca -0.06 -3.80 -0.42 0.00 -0.26 0.00 0.00 57.72 53.18 3kiy n HIS 102 Cb 0.59 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 3kiy n HIS 102 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3kiy s ILE 103 N -1.23 2.84 -0.02 1.59 1.01 -1.11 -2.81 121.20 121.46 3kiy s ILE 103 Ca 0.33 0.60 0.05 0.00 0.00 0.00 0.00 60.65 61.64 3kiy s ILE 103 Cb 0.09 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 3kiy s ILE 103 CO -0.12 0.05 -0.17 -0.89 0.00 0.00 0.00 174.94 173.80 3kiy s THR 104 N 1.11 1.38 0.05 2.92 2.01 -0.35 0.90 115.64 123.66 3kiy s THR 104 Ca 0.68 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.97 3kiy s THR 104 Cb -0.41 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 3kiy s THR 104 CO 0.31 0.39 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.87 3kiy s VAL 105 N -0.25 0.51 -0.16 3.82 1.01 -1.26 -2.44 120.40 121.64 3kiy s VAL 105 Ca 0.03 -1.21 -0.08 0.00 0.00 0.00 0.00 61.98 60.72 3kiy s VAL 105 Cb -0.08 -0.76 0.06 0.00 0.00 0.00 0.00 36.38 35.60 3kiy s VAL 105 CO 0.00 -0.48 0.38 0.27 0.00 0.00 0.00 175.10 175.27 3kiy s ILE 106 N -1.78 -0.05 0.12 2.22 -4.36 -0.54 0.65 121.20 117.45 3kiy s ILE 106 Ca -0.07 0.11 0.08 0.00 -0.26 0.00 0.00 60.65 60.51 3kiy s ILE 106 Cb -0.07 -0.56 -0.04 0.00 1.25 0.00 0.00 42.46 43.03 3kiy s ILE 106 CO -0.01 0.04 -0.10 -0.76 0.24 0.00 0.00 174.94 174.35 3kiy s LEU 107 N 1.42 3.01 0.34 0.37 2.01 0.22 -0.41 118.68 125.63 3kiy s LEU 107 Ca -0.09 -0.44 0.06 0.00 0.01 0.00 0.00 54.13 53.67 3kiy s LEU 107 Cb -0.09 -1.78 -0.03 0.00 0.01 0.00 0.00 46.19 44.30 3kiy s LEU 107 CO -0.12 0.16 0.24 -0.83 1.01 0.00 0.00 176.35 176.82 3kiy s GLY 108 N -2.34 2.37 0.04 -3.19 0.00 -0.96 0.26 107.32 103.49 3kiy s GLY 108 Ca 0.22 -1.89 -0.10 0.00 0.00 0.00 0.00 44.72 42.96 3kiy s GLY 108 CO 0.14 -1.54 0.35 -0.54 0.00 0.00 0.00 173.10 171.51 3kiy s GLU 109 N -3.52 3.72 0.04 2.90 2.02 -1.25 -2.56 118.70 120.05 3kiy s GLU 109 Ca 0.37 0.13 -0.26 0.00 0.02 0.00 0.00 54.97 55.23 3kiy s GLU 109 Cb 0.02 -3.07 -0.05 0.00 0.10 0.00 0.00 34.13 31.14 3kiy s GLU 109 CO 0.25 0.62 0.80 0.21 0.02 0.00 0.00 175.26 177.15 3kiy s LYS 110 N -1.69 4.52 0.00 1.61 2.47 -0.28 -4.98 119.74 121.40 3kiy s LYS 110 Ca 0.29 1.13 0.00 0.00 -1.56 0.00 0.00 55.97 55.83 3kiy s LYS 110 Cb -0.14 -3.38 0.00 0.00 -1.46 0.00 0.00 37.83 32.85 3kiy s LYS 110 CO 0.16 0.23 0.00 -2.39 0.16 0.00 0.00 175.35 173.51 3kiy n HIS 111 N 2.96 0.00 0.00 4.03 1.44 -1.26 -5.01 115.22 117.39 3kiy n HIS 111 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 3kiy n HIS 111 Cb 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 3kiy n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kiy n GLY 112 N 0.00 3.96 0.00 -1.39 0.00 -1.26 -5.21 105.19 101.29 3kiy n GLY 112 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3kiy n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60