#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n ASN 2 N 0.00 -0.60 -1.82 6.12 3.02 -1.26 -4.46 115.26 116.26 3kiy n ASN 2 Ca 0.00 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 3kiy n ASN 2 Cb 0.00 -1.65 0.00 0.00 -0.61 0.00 0.00 39.78 37.52 3kiy n ASN 2 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kiy n ARG 3 N -2.05 -0.56 -0.09 3.52 5.12 -1.26 -4.47 116.66 116.87 3kiy n ARG 3 Ca -0.00 -0.21 0.26 0.00 -1.93 0.00 0.00 57.85 55.97 3kiy n ARG 3 Cb 0.51 0.37 0.67 0.00 -1.16 0.00 0.00 32.46 32.86 3kiy n ARG 3 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3kiy h GLY 4 N 1.38 0.00 0.32 -0.13 0.00 -2.00 0.70 103.07 103.34 3kiy h GLY 4 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kiy h GLY 4 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.50 3kiy h ALA 5 N 1.23 -0.11 -0.00 3.60 0.00 -1.96 -3.21 119.26 118.81 3kiy h ALA 5 Ca 0.36 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3kiy h ALA 5 Cb 1.85 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 3kiy h ALA 5 CO -0.00 -0.22 -0.39 1.25 0.00 0.00 0.00 179.25 179.89 3kiy h LEU 6 N -0.79 0.00 -1.74 0.00 6.46 -0.20 -0.80 115.31 118.25 3kiy h LEU 6 Ca -0.01 -0.00 0.09 0.00 -0.12 0.00 0.00 57.88 57.83 3kiy h LEU 6 Cb 0.59 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 3kiy h LEU 6 CO 0.02 0.39 0.34 0.40 -0.62 0.00 0.00 178.44 178.97 3kiy h ILE 7 N 0.00 0.90 -0.00 4.05 2.04 -0.14 0.71 117.51 125.06 3kiy h ILE 7 Ca -0.00 -0.11 -0.14 0.00 1.00 0.00 0.00 64.86 65.62 3kiy h ILE 7 Cb 0.69 0.57 0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3kiy h ILE 7 CO 0.05 0.06 -0.53 0.11 0.00 0.00 0.00 178.15 177.84 3kiy h LYS 8 N 0.31 0.36 -0.20 2.37 1.57 -1.17 -2.85 116.57 116.95 3kiy h LYS 8 Ca 0.23 -0.39 0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3kiy h LYS 8 Cb 0.50 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3kiy h LYS 8 CO -0.05 1.06 0.52 -0.07 -0.57 0.00 0.00 179.45 180.34 3kiy h LEU 9 N -0.18 0.00 0.50 2.94 3.38 -0.29 0.27 115.31 121.92 3kiy h LEU 9 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3kiy h LEU 9 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3kiy h LEU 9 CO 0.10 0.00 -0.24 0.58 0.09 0.00 0.00 178.44 178.98 3kiy h VAL 10 N 0.00 0.00 -0.89 1.22 2.07 -0.70 -3.19 116.25 114.76 3kiy h VAL 10 Ca 0.10 -0.38 0.24 0.00 0.82 0.00 0.00 66.70 67.48 3kiy h VAL 10 Cb 1.13 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.75 3kiy h VAL 10 CO -0.00 0.00 0.21 -0.33 0.02 0.00 0.00 177.57 177.47 3kiy h GLU 11 N -1.05 0.17 -5.01 1.57 3.07 -0.54 -3.20 114.58 109.58 3kiy h GLU 11 Ca -0.07 -0.01 -0.38 0.00 -0.50 0.00 0.00 59.36 58.40 3kiy h GLU 11 Cb 0.51 -0.04 0.08 0.00 -0.84 0.00 0.00 28.75 28.46 3kiy h GLU 11 CO 0.11 0.11 0.98 0.43 -1.40 0.00 0.00 179.01 179.24 3kiy n SER 12 N -5.26 1.39 -1.50 1.42 7.64 -0.77 -4.47 113.62 112.05 3kiy n SER 12 Ca 0.22 -2.53 -0.12 0.00 1.01 0.00 0.00 58.87 57.46 3kiy n SER 12 Cb 0.70 -1.06 0.09 0.00 -1.01 0.00 0.00 64.21 62.94 3kiy n SER 12 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kiy n ARG 13 N 7.97 2.74 -0.03 1.43 5.12 -1.21 -4.46 116.66 128.21 3kiy n ARG 13 Ca 0.45 -3.79 0.02 0.00 -1.93 0.00 0.00 57.85 52.60 3kiy n ARG 13 Cb 0.44 -1.97 0.04 0.00 -1.16 0.00 0.00 32.46 29.81 3kiy n ARG 13 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3kiy n TYR 14 N -0.84 0.09 -1.67 -1.55 4.02 -1.26 -5.05 117.16 110.90 3kiy n TYR 14 Ca 0.33 -0.24 -0.47 0.00 -0.01 0.00 0.00 57.90 57.51 3kiy n TYR 14 Cb 0.86 -0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 40.12 3kiy n TYR 14 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3kiy n VAL 15 N 0.08 0.17 -1.27 -0.72 0.24 -1.26 -4.72 118.33 110.85 3kiy n VAL 15 Ca 0.03 -0.03 -0.10 0.00 -2.04 0.00 0.00 64.34 62.21 3kiy n VAL 15 Cb 0.21 -1.57 0.07 0.00 -1.47 0.00 0.00 33.84 31.07 3kiy n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3kiy n ARG 16 N 4.31 -0.48 0.00 7.34 5.12 -1.26 -4.98 116.66 126.70 3kiy n ARG 16 Ca 0.19 -0.66 0.00 0.00 -1.93 0.00 0.00 57.85 55.45 3kiy n ARG 16 Cb 0.28 -0.45 0.00 0.00 -1.16 0.00 0.00 32.46 31.13 3kiy n ARG 16 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3kiy n THR 17 N -2.63 0.00 0.22 0.55 5.66 -1.26 -4.96 114.28 111.87 3kiy n THR 17 Ca 0.05 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.13 3kiy n THR 17 Cb 0.19 0.00 0.52 0.00 -1.55 0.00 0.00 70.33 69.49 3kiy n THR 17 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 3kiy h ASP 18 N 0.00 0.00 -3.46 1.09 2.03 -1.98 -3.45 116.42 110.66 3kiy h ASP 18 Ca 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 3kiy h ASP 18 Cb 0.00 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.55 3kiy h ASP 18 CO 0.00 0.25 0.71 -0.76 -1.03 0.00 0.00 179.24 178.40 3kiy s LEU 19 N -7.56 4.40 1.20 0.15 1.43 -1.26 -4.98 118.68 112.07 3kiy s LEU 19 Ca -0.02 2.59 -0.14 0.00 -1.03 0.00 0.00 54.13 55.52 3kiy s LEU 19 Cb 0.13 -3.62 0.27 0.00 0.03 0.00 0.00 46.19 43.00 3kiy s LEU 19 CO 0.65 -0.62 0.81 -2.65 0.23 0.00 0.00 176.35 174.77 3kiy n PRO 20 N 2.19 -2.60 -3.99 1.29 -0.02 -1.26 -4.98 135.00 125.63 3kiy n PRO 20 Ca 0.06 -0.74 -0.34 0.00 -2.02 0.00 0.00 63.50 60.46 3kiy n PRO 20 Cb 0.41 -2.05 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 3kiy n PRO 20 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3kiy s GLU 21 N -4.22 2.76 0.41 -0.52 2.12 -1.26 -5.08 118.70 112.91 3kiy s GLU 21 Ca 0.66 -1.02 0.06 0.00 0.36 0.00 0.00 54.97 55.03 3kiy s GLU 21 Cb -0.23 -2.93 -0.07 0.00 0.26 0.00 0.00 34.13 31.16 3kiy s GLU 21 CO 0.66 -0.41 0.02 -0.59 -0.54 0.00 0.00 175.26 174.40 3kiy s PHE 22 N 1.29 2.34 -0.04 5.30 -0.00 -1.26 -5.15 117.98 120.45 3kiy s PHE 22 Ca -0.01 -0.76 -0.29 0.00 -0.00 0.00 0.00 56.93 55.87 3kiy s PHE 22 Cb -0.17 -1.67 0.09 0.00 -0.00 0.00 0.00 43.02 41.27 3kiy s PHE 22 CO -0.05 0.34 0.76 -0.98 -0.00 0.00 0.00 175.22 175.29 3kiy s ARG 23 N -3.76 0.96 0.00 1.99 1.70 -1.26 -5.03 118.95 113.56 3kiy s ARG 23 Ca 0.31 0.08 0.00 0.00 -0.47 0.00 0.00 55.73 55.65 3kiy s ARG 23 Cb 0.09 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.92 3kiy s ARG 23 CO 0.16 -0.33 0.00 -2.30 -1.08 0.00 0.00 175.30 171.75 3kiy n PRO 24 N 0.58 0.00 0.02 3.89 -0.02 -1.26 -4.06 135.00 134.16 3kiy n PRO 24 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3kiy n PRO 24 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 3kiy n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kiy n GLY 25 N 0.00 -0.04 0.00 -1.23 0.00 -1.25 -4.18 105.19 98.49 3kiy n GLY 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kiy n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kiy n ASP 26 N -2.78 0.00 0.00 1.61 4.64 -1.22 -4.04 116.55 114.76 3kiy n ASP 26 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3kiy n ASP 26 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3kiy n ASP 26 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 3kiy n THR 27 N 0.00 0.00 0.00 5.18 5.66 -1.21 -2.83 114.28 121.08 3kiy n THR 27 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3kiy n THR 27 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3kiy n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3kiy n VAL 28 N 0.00 0.00 0.00 1.08 0.31 -1.18 -0.88 118.33 117.65 3kiy n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kiy n VAL 28 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kiy n VAL 28 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kiy n ARG 29 N 0.48 0.00 0.00 5.55 3.00 0.30 -4.38 116.66 121.62 3kiy n ARG 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3kiy n ARG 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3kiy n ARG 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3kiy n VAL 30 N -0.53 0.00 0.00 1.55 0.24 -1.26 -4.16 118.33 114.17 3kiy n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3kiy n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3kiy n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3kiy n SER 31 N 0.00 0.00 0.00 -1.34 3.41 0.64 -4.61 113.62 111.71 3kiy n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3kiy n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3kiy n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kiy n TYR 32 N 0.00 0.00 0.00 7.33 0.18 -1.26 -3.82 117.16 119.59 3kiy n TYR 32 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3kiy n TYR 32 Cb 0.00 0.01 0.00 0.00 -0.38 0.00 0.00 39.34 38.97 3kiy n TYR 32 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3kiy n LYS 33 N 0.00 0.00 -2.15 -3.48 4.76 -1.22 -4.65 118.16 111.42 3kiy n LYS 33 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 3kiy n LYS 33 Cb 0.03 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.29 3kiy n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3kiy s VAL 34 N 0.00 2.28 0.00 -0.18 1.01 -1.26 -4.39 120.40 117.86 3kiy s VAL 34 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3kiy s VAL 34 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3kiy s VAL 34 CO 0.00 -0.02 0.00 2.29 0.00 0.00 0.00 175.10 177.37 3kiy n LYS 35 N -2.99 0.00 -0.94 2.72 2.85 -1.23 -4.99 118.16 113.58 3kiy n LYS 35 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 3kiy n LYS 35 Cb 0.60 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.98 3kiy n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3kiy n GLU 36 N -1.57 -0.68 -2.50 -1.58 2.13 -1.26 -3.12 120.64 112.06 3kiy n GLU 36 Ca 0.00 0.17 -0.08 0.00 0.66 0.00 0.00 57.16 57.91 3kiy n GLU 36 Cb 0.00 -3.79 0.04 0.00 0.27 0.00 0.00 31.44 27.96 3kiy n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kiy n GLY 37 N -1.38 -0.10 0.00 8.31 0.00 -1.26 -5.04 105.19 105.71 3kiy n GLY 37 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3kiy n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kiy n ASN 38 N -2.30 0.00 -1.00 1.61 6.94 -1.18 -5.01 115.26 114.32 3kiy n ASN 38 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.49 3kiy n ASN 38 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 3kiy n ASN 38 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3kiy n ARG 39 N 0.00 0.17 -3.02 -3.83 1.74 -1.26 -3.50 116.66 106.96 3kiy n ARG 39 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 3kiy n ARG 39 Cb 0.00 -1.42 0.04 0.00 -1.02 0.00 0.00 32.46 30.06 3kiy n ARG 39 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kiy s THR 40 N 0.83 2.56 0.00 0.55 -4.23 -1.26 -4.76 115.64 109.32 3kiy s THR 40 Ca 0.00 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 3kiy s THR 40 Cb 0.00 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.27 3kiy s THR 40 CO 0.00 0.00 0.00 -1.14 -0.54 0.00 0.00 174.62 172.94 3kiy n ARG 41 N -2.06 0.00 -4.07 3.99 0.00 -1.26 -4.45 116.66 108.82 3kiy n ARG 41 Ca 0.12 0.33 -0.34 0.00 -0.00 0.00 0.00 57.85 57.96 3kiy n ARG 41 Cb 0.60 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.92 3kiy n ARG 41 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 3kiy s ILE 42 N -0.13 2.96 -0.07 5.15 -4.36 -1.26 -3.43 121.20 120.05 3kiy s ILE 42 Ca 0.00 -0.64 -0.04 0.00 -0.26 0.00 0.00 60.65 59.71 3kiy s ILE 42 Cb 0.00 -2.31 -0.04 0.00 1.25 0.00 0.00 42.46 41.36 3kiy s ILE 42 CO 0.00 0.47 0.12 -1.58 0.24 0.00 0.00 174.94 174.19 3kiy s GLN 43 N 1.30 3.31 0.20 0.37 0.74 -1.26 -4.82 119.66 119.50 3kiy s GLN 43 Ca 0.04 -0.27 -0.02 0.00 0.05 0.00 0.00 55.36 55.16 3kiy s GLN 43 Cb -0.14 -3.06 -0.05 0.00 1.10 0.00 0.00 33.01 30.86 3kiy s GLN 43 CO -0.05 0.73 0.41 -0.51 -0.55 0.00 0.00 175.29 175.31 3kiy s ASP 44 N -1.32 6.41 -0.46 6.67 1.11 -1.26 0.23 116.67 128.06 3kiy s ASP 44 Ca 0.19 0.48 0.03 0.00 0.18 0.00 0.00 52.55 53.43 3kiy s ASP 44 Cb -0.12 -2.04 0.13 0.00 1.07 0.00 0.00 42.92 41.95 3kiy s ASP 44 CO 0.09 -0.04 0.22 0.12 1.18 0.00 0.00 175.17 176.74 3kiy s PHE 45 N -1.85 2.64 -0.60 4.23 5.36 -1.26 -4.81 117.98 121.69 3kiy s PHE 45 Ca 0.40 -2.77 -0.28 0.00 -0.96 0.00 0.00 56.93 53.32 3kiy s PHE 45 Cb -0.11 -2.38 0.02 0.00 -0.34 0.00 0.00 43.02 40.21 3kiy s PHE 45 CO 0.28 -0.78 1.37 -2.00 -1.46 0.00 0.00 175.22 172.63 3kiy s GLU 46 N 0.18 3.28 0.13 10.12 2.56 -1.26 -0.54 118.70 133.17 3kiy s GLU 46 Ca 0.16 0.28 -0.02 0.00 0.00 0.00 0.00 54.97 55.39 3kiy s GLU 46 Cb -0.24 -4.13 0.01 0.00 2.00 0.00 0.00 34.13 31.77 3kiy s GLU 46 CO -0.02 -1.97 0.21 0.41 -0.56 0.00 0.00 175.26 173.33 3kiy n GLY 47 N 5.27 2.36 3.81 -1.50 0.00 -1.26 -4.73 105.19 109.14 3kiy n GLY 47 Ca 0.10 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 3kiy n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kiy s ILE 48 N -2.61 5.03 -0.46 -0.61 1.09 -1.10 -3.13 121.20 119.39 3kiy s ILE 48 Ca 0.09 -0.06 -0.26 0.00 -1.10 0.00 0.00 60.65 59.32 3kiy s ILE 48 Cb -0.01 -3.20 0.03 0.00 -1.06 0.00 0.00 42.46 38.21 3kiy s ILE 48 CO 0.06 0.54 0.94 0.54 -0.10 0.00 0.00 174.94 176.92 3kiy s VAL 49 N -1.05 4.45 0.04 2.92 0.11 -1.26 -0.48 120.40 125.14 3kiy s VAL 49 Ca 0.17 0.77 0.08 0.00 -2.93 0.00 0.00 61.98 60.07 3kiy s VAL 49 Cb -0.12 -4.45 -0.22 0.00 -1.53 0.00 0.00 36.38 30.06 3kiy s VAL 49 CO 0.07 -0.85 0.99 0.40 -3.33 0.00 0.00 175.10 172.38 3kiy h ILE 50 N 6.09 1.32 -1.64 7.04 5.03 -1.70 -3.35 117.51 130.31 3kiy h ILE 50 Ca -0.24 -3.08 0.06 0.00 -0.12 0.00 0.00 64.86 61.47 3kiy h ILE 50 Cb 1.07 2.67 -0.23 0.00 -3.03 0.00 0.00 36.82 37.30 3kiy h ILE 50 CO 1.04 0.76 0.48 -0.60 -0.68 0.00 0.00 178.15 179.15 3kiy s ARG 51 N -2.66 0.66 -0.10 2.37 3.52 -1.25 -2.29 118.95 119.21 3kiy s ARG 51 Ca -0.02 0.20 -0.02 0.00 -0.13 0.00 0.00 55.73 55.76 3kiy s ARG 51 Cb 0.09 0.31 0.04 0.00 -1.56 0.00 0.00 34.95 33.83 3kiy s ARG 51 CO 0.82 -0.20 0.02 0.42 -0.81 0.00 0.00 175.30 175.55 3kiy s ILE 52 N -1.01 0.34 -0.39 4.11 1.01 -1.26 -1.58 121.20 122.42 3kiy s ILE 52 Ca -0.03 -0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.50 3kiy s ILE 52 Cb -0.01 -0.61 0.04 0.00 0.01 0.00 0.00 42.46 41.89 3kiy s ILE 52 CO 0.02 0.13 0.22 0.00 0.00 0.00 0.00 174.94 175.31 3kiy s ARG 53 N 1.97 2.79 0.67 2.79 1.70 0.30 -4.99 118.95 124.18 3kiy s ARG 53 Ca 0.04 -1.15 -0.11 0.00 -0.47 0.00 0.00 55.73 54.03 3kiy s ARG 53 Cb -0.13 -3.75 -0.01 0.00 -0.57 0.00 0.00 34.95 30.48 3kiy s ARG 53 CO -0.06 -0.75 1.05 1.03 -1.08 0.00 0.00 175.30 175.49 3kiy s ARG 54 N 1.54 3.16 0.00 3.89 0.52 -1.26 -1.49 118.95 125.30 3kiy s ARG 54 Ca 0.02 0.79 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 3kiy s ARG 54 Cb -0.20 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.24 3kiy s ARG 54 CO 0.06 -0.90 0.00 -1.71 0.02 0.00 0.00 175.30 172.77 3kiy n ASN 55 N -2.97 0.00 0.00 0.23 5.15 -1.26 -4.89 115.26 111.51 3kiy n ASN 55 Ca 0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 3kiy n ASN 55 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 3kiy n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kiy n GLY 56 N 0.00 1.82 0.00 8.20 0.00 -1.26 -4.26 105.19 109.68 3kiy n GLY 56 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3kiy n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kiy n PHE 57 N 2.23 -1.59 -1.49 1.61 -0.00 -1.26 -4.19 117.46 112.77 3kiy n PHE 57 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3kiy n PHE 57 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 3kiy n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3kiy n ASN 58 N -1.24 0.00 -4.93 -2.13 2.04 -1.26 -4.84 115.26 102.90 3kiy n ASN 58 Ca 0.00 0.00 -0.27 0.00 -0.44 0.00 0.00 54.58 53.87 3kiy n ASN 58 Cb 0.00 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.22 3kiy n ASN 58 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 3kiy s THR 59 N -1.78 5.26 0.23 5.53 -4.23 -1.26 -4.79 115.64 114.59 3kiy s THR 59 Ca 0.00 -0.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 3kiy s THR 59 Cb 0.00 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 70.06 3kiy s THR 59 CO 0.00 -0.13 0.10 0.42 -0.54 0.00 0.00 174.62 174.47 3kiy s THR 60 N -1.80 0.35 0.11 3.99 -4.23 -0.56 -4.24 115.64 109.26 3kiy s THR 60 Ca 0.37 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3kiy s THR 60 Cb -0.11 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 3kiy s THR 60 CO 0.29 -0.06 -0.01 0.72 -0.54 0.00 0.00 174.62 175.02 3kiy s PHE 61 N -3.91 0.88 0.12 3.99 -0.12 -0.73 -0.53 117.98 117.67 3kiy s PHE 61 Ca 0.37 -1.05 0.07 0.00 -0.05 0.00 0.00 56.93 56.26 3kiy s PHE 61 Cb 0.07 -0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 41.91 3kiy s PHE 61 CO 0.12 -0.31 -0.16 0.95 -0.05 0.00 0.00 175.22 175.77 3kiy s THR 62 N -3.80 1.45 -0.03 -4.49 -4.23 -0.62 -0.12 115.64 103.80 3kiy s THR 62 Ca 0.17 -1.67 0.03 0.00 -1.18 0.00 0.00 61.69 59.03 3kiy s THR 62 Cb 0.07 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.38 3kiy s THR 62 CO -0.02 -0.32 -0.11 -0.69 -0.54 0.00 0.00 174.62 172.94 3kiy s VAL 63 N -1.86 0.97 -0.38 2.29 1.01 0.16 -1.75 120.40 120.84 3kiy s VAL 63 Ca 0.08 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 3kiy s VAL 63 Cb -0.06 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.47 3kiy s VAL 63 CO 0.04 0.30 0.27 -0.60 0.00 0.00 0.00 175.10 175.10 3kiy s ARG 64 N 0.19 3.14 0.44 2.72 6.06 0.36 -1.16 118.95 130.72 3kiy s ARG 64 Ca -0.04 -0.89 0.07 0.00 -2.50 0.00 0.00 55.73 52.37 3kiy s ARG 64 Cb -0.10 -3.90 -0.01 0.00 0.06 0.00 0.00 34.95 31.00 3kiy s ARG 64 CO 0.01 -0.64 0.38 0.21 -2.50 0.00 0.00 175.30 172.76 3kiy s LYS 65 N 1.68 2.45 -0.39 5.12 2.47 0.55 -2.72 119.74 128.90 3kiy s LYS 65 Ca 0.05 -1.65 0.09 0.00 -1.56 0.00 0.00 55.97 52.91 3kiy s LYS 65 Cb -0.18 -2.30 0.30 0.00 -1.46 0.00 0.00 37.83 34.18 3kiy s LYS 65 CO 0.10 -0.27 0.69 0.28 0.16 0.00 0.00 175.35 176.30 3kiy n VAL 66 N -1.57 -0.36 -2.16 4.02 0.31 -1.26 0.09 118.33 117.40 3kiy n VAL 66 Ca 0.03 -3.87 -0.43 0.00 -0.01 0.00 0.00 64.34 60.06 3kiy n VAL 66 Cb 0.62 -0.68 -0.02 0.00 -0.91 0.00 0.00 33.84 32.85 3kiy n VAL 66 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3kiy s SER 67 N -1.77 6.38 0.76 4.52 0.01 -0.81 -4.79 113.70 117.99 3kiy s SER 67 Ca 0.36 1.49 0.00 0.00 1.31 0.00 0.00 55.95 59.11 3kiy s SER 67 Cb 0.26 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.96 3kiy s SER 67 CO -0.10 -1.28 0.00 -1.22 0.41 0.00 0.00 173.24 171.05 3kiy n TYR 68 N 8.50 0.00 -0.15 2.43 4.01 -1.26 -2.44 117.16 128.25 3kiy n TYR 68 Ca 0.18 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.88 3kiy n TYR 68 Cb 0.46 0.03 0.04 0.00 -0.31 0.00 0.00 39.34 39.56 3kiy n TYR 68 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3kiy h GLY 69 N 0.00 0.63 -0.81 2.72 0.00 -2.05 -3.45 103.07 100.11 3kiy h GLY 69 Ca 0.00 -0.13 -0.48 0.00 0.00 0.00 0.00 47.33 46.72 3kiy h GLY 69 CO 0.00 0.07 0.38 0.14 0.00 0.00 0.00 176.54 177.12 3kiy s VAL 70 N -6.14 2.52 0.05 4.60 1.01 -1.02 -5.09 120.40 116.32 3kiy s VAL 70 Ca -0.13 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.08 3kiy s VAL 70 Cb 0.13 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3kiy s VAL 70 CO 0.73 -0.22 -0.12 -0.83 0.00 0.00 0.00 175.10 174.66 3kiy s GLY 71 N -4.31 1.70 -0.00 4.51 0.00 -1.26 -1.92 107.32 106.04 3kiy s GLY 71 Ca 0.61 -1.16 0.03 0.00 0.00 0.00 0.00 44.72 44.20 3kiy s GLY 71 CO 0.51 -1.07 -0.09 0.14 0.00 0.00 0.00 173.10 172.60 3kiy s VAL 72 N -1.04 0.68 0.19 1.40 1.01 0.11 -4.88 120.40 117.87 3kiy s VAL 72 Ca 0.17 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 61.84 3kiy s VAL 72 Cb -0.11 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3kiy s VAL 72 CO 0.09 0.15 -0.17 -1.61 0.00 0.00 0.00 175.10 173.56 3kiy s GLU 73 N -0.30 1.79 -0.12 2.72 2.02 -1.25 0.21 118.70 123.76 3kiy s GLU 73 Ca 0.03 -1.40 -0.06 0.00 0.02 0.00 0.00 54.97 53.55 3kiy s GLU 73 Cb -0.04 -2.00 0.05 0.00 0.10 0.00 0.00 34.13 32.25 3kiy s GLU 73 CO -0.00 0.42 0.29 1.03 0.02 0.00 0.00 175.26 177.01 3kiy s ARG 74 N -2.76 0.24 -0.23 1.61 1.81 -0.31 -4.90 118.95 114.43 3kiy s ARG 74 Ca 0.23 0.62 -0.09 0.00 -1.72 0.00 0.00 55.73 54.76 3kiy s ARG 74 Cb -0.08 -0.08 -0.05 0.00 -0.45 0.00 0.00 34.95 34.29 3kiy s ARG 74 CO 0.12 -0.18 0.13 0.42 -0.68 0.00 0.00 175.30 175.12 3kiy s ILE 75 N 1.43 5.13 -0.04 1.52 1.01 -1.26 -0.67 121.20 128.33 3kiy s ILE 75 Ca -0.08 0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.73 3kiy s ILE 75 Cb -0.10 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 3kiy s ILE 75 CO -0.10 0.38 -0.22 -0.36 0.00 0.00 0.00 174.94 174.64 3kiy s PHE 76 N 0.91 2.46 0.07 3.97 0.40 0.83 -4.97 117.98 121.65 3kiy s PHE 76 Ca 0.06 -0.44 0.31 0.00 -0.60 0.00 0.00 56.93 56.27 3kiy s PHE 76 Cb -0.13 -1.56 1.56 0.00 0.51 0.00 0.00 43.02 43.39 3kiy s PHE 76 CO 0.03 -0.03 1.95 -1.35 0.70 0.00 0.00 175.22 176.52 3kiy h PRO 77 N 5.62 0.00 0.00 0.24 0.11 -1.86 -1.94 132.00 134.17 3kiy h PRO 77 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3kiy h PRO 77 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kiy h PRO 77 CO 0.48 0.00 0.00 -0.11 -0.21 0.00 0.00 178.00 178.16 3kiy n LEU 78 N -2.66 0.13 -3.94 2.35 0.00 -1.26 -4.13 117.00 107.49 3kiy n LEU 78 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 55.90 3kiy n LEU 78 Cb 0.13 -0.24 -0.11 0.00 0.00 0.00 0.00 43.42 43.20 3kiy n LEU 78 CO 0.18 -0.07 -0.29 -1.00 0.00 0.00 0.00 177.39 176.21 3kiy s HIS 79 N -3.46 0.18 0.00 1.96 3.76 -1.26 -4.77 115.29 111.70 3kiy s HIS 79 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 3kiy s HIS 79 Cb 0.00 -0.14 0.00 0.00 1.11 0.00 0.00 32.58 33.55 3kiy s HIS 79 CO 0.00 -0.23 0.00 0.45 -0.85 0.00 0.00 174.74 174.11 3kiy n SER 80 N 1.52 0.00 0.00 1.40 2.88 -1.26 -4.62 113.62 113.54 3kiy n SER 80 Ca -0.23 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.19 3kiy n SER 80 Cb 0.55 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.94 3kiy n SER 80 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3kiy h PRO 81 N 0.00 0.08 -6.20 -1.46 0.11 -1.98 -3.43 132.00 119.13 3kiy h PRO 81 Ca 0.00 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.44 3kiy h PRO 81 Cb 0.00 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.11 3kiy h PRO 81 CO 0.00 0.19 1.09 1.47 -0.21 0.00 0.00 178.00 180.54 3kiy n LEU 82 N -4.98 3.00 0.11 2.35 -0.00 -1.26 -4.67 117.00 111.55 3kiy n LEU 82 Ca -0.06 0.92 -0.08 0.00 -0.00 0.00 0.00 56.01 56.79 3kiy n LEU 82 Cb 0.10 -1.29 -0.04 0.00 -0.00 0.00 0.00 43.42 42.18 3kiy n LEU 82 CO 0.34 -0.25 0.22 0.16 -0.00 0.00 0.00 177.39 177.86 3kiy h ILE 83 N 5.63 0.24 -4.27 1.47 3.07 -1.84 -3.48 117.51 118.33 3kiy h ILE 83 Ca -0.45 -0.83 -0.10 0.00 1.55 0.00 0.00 64.86 65.02 3kiy h ILE 83 Cb 1.29 0.41 -0.01 0.00 -0.27 0.00 0.00 36.82 38.23 3kiy h ILE 83 CO 0.96 0.06 -0.06 0.00 -1.05 0.00 0.00 178.15 178.07 3kiy n GLN 84 N -5.01 1.50 -0.35 0.16 10.64 -1.26 -4.95 117.38 118.11 3kiy n GLN 84 Ca -0.06 -0.61 0.00 0.00 -1.83 0.00 0.00 57.00 54.50 3kiy n GLN 84 Cb 0.19 0.10 0.00 0.00 -0.86 0.00 0.00 30.24 29.67 3kiy n GLN 84 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3kiy n LYS 85 N -0.55 0.00 -1.45 2.61 5.02 -1.26 -4.53 118.16 117.99 3kiy n LYS 85 Ca -0.01 0.00 -0.48 0.00 -2.02 0.00 0.00 58.31 55.79 3kiy n LYS 85 Cb 0.11 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.09 3kiy n LYS 85 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3kiy n ILE 86 N 0.00 1.77 -3.98 -0.18 3.06 -1.26 -4.76 119.36 114.01 3kiy n ILE 86 Ca 0.00 -0.44 -0.31 0.00 -2.50 0.00 0.00 62.75 59.50 3kiy n ILE 86 Cb 0.40 -0.24 -0.05 0.00 0.54 0.00 0.00 39.64 40.29 3kiy n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 3kiy s ASP 87 N -0.78 5.98 0.00 9.51 3.84 -1.26 -4.36 116.67 129.61 3kiy s ASP 87 Ca 0.66 0.14 0.00 0.00 -0.00 0.00 0.00 52.55 53.35 3kiy s ASP 87 Cb -0.91 -1.74 0.00 0.00 -1.38 0.00 0.00 42.92 38.89 3kiy s ASP 87 CO 0.57 0.17 0.00 -0.38 -0.00 0.00 0.00 175.17 175.52 3kiy n ILE 88 N 0.35 0.00 -4.00 2.11 2.08 -0.06 -4.85 119.36 114.98 3kiy n ILE 88 Ca -0.07 0.09 -0.33 0.00 0.56 0.00 0.00 62.75 63.00 3kiy n ILE 88 Cb 0.51 -0.33 -0.14 0.00 -0.75 0.00 0.00 39.64 38.93 3kiy n ILE 88 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3kiy s VAL 89 N 0.00 2.45 0.37 1.39 1.01 -1.13 -4.96 120.40 119.54 3kiy s VAL 89 Ca 0.00 -1.77 0.13 0.00 0.00 0.00 0.00 61.98 60.33 3kiy s VAL 89 Cb 0.00 -2.53 0.35 0.00 0.00 0.00 0.00 36.38 34.19 3kiy s VAL 89 CO 0.00 -0.22 1.84 1.56 0.00 0.00 0.00 175.10 178.28 3kiy h GLN 90 N 7.80 0.55 0.00 2.72 4.20 -1.89 -3.33 115.11 125.16 3kiy h GLN 90 Ca -0.16 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.52 3kiy h GLN 90 Cb 1.04 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.70 3kiy h GLN 90 CO 0.51 0.36 0.00 0.54 -0.67 0.00 0.00 178.83 179.57 3kiy n ARG 91 N -4.58 0.00 0.00 1.46 1.74 -1.26 -3.46 116.66 110.55 3kiy n ARG 91 Ca 0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3kiy n ARG 91 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 3kiy n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kiy n GLY 92 N 0.00 0.09 3.90 -0.13 0.00 -1.24 -3.21 105.19 104.61 3kiy n GLY 92 Ca 0.00 0.50 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 3kiy n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kiy n ARG 93 N 0.00 -2.05 -2.66 1.61 0.00 -1.26 -3.78 116.66 108.52 3kiy n ARG 93 Ca 0.00 0.36 -0.40 0.00 -0.00 0.00 0.00 57.85 57.81 3kiy n ARG 93 Cb 0.00 -4.07 -0.05 0.00 0.00 0.00 0.00 32.46 28.34 3kiy n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kiy s ALA 94 N -3.76 3.35 -2.23 5.13 0.00 -1.26 -4.83 121.76 118.15 3kiy s ALA 94 Ca 0.23 0.70 0.22 0.00 0.00 0.00 0.00 51.96 53.11 3kiy s ALA 94 Cb -0.09 -3.25 0.96 0.00 0.00 0.00 0.00 23.12 20.74 3kiy s ALA 94 CO 0.90 0.08 1.66 0.54 0.00 0.00 0.00 175.76 178.94 3kiy n ARG 95 N 1.30 1.50 -3.88 0.00 5.12 -1.26 -4.90 116.66 114.54 3kiy n ARG 95 Ca -0.01 -0.75 -0.10 0.00 -1.93 0.00 0.00 57.85 55.06 3kiy n ARG 95 Cb 0.47 -1.39 -0.09 0.00 -1.16 0.00 0.00 32.46 30.29 3kiy n ARG 95 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3kiy s ARG 96 N -1.89 0.63 0.06 5.56 1.70 -1.26 -5.10 118.95 118.65 3kiy s ARG 96 Ca 0.33 -0.66 -0.25 0.00 -0.47 0.00 0.00 55.73 54.68 3kiy s ARG 96 Cb 0.17 0.25 -0.12 0.00 -0.57 0.00 0.00 34.95 34.68 3kiy s ARG 96 CO 0.27 -0.17 1.39 0.00 -1.08 0.00 0.00 175.30 175.71 3kiy h ALA 97 N 3.63 -1.03 -3.27 7.88 0.00 -1.98 -3.41 119.26 121.08 3kiy h ALA 97 Ca -0.32 -0.13 -0.64 0.00 0.00 0.00 0.00 54.91 53.82 3kiy h ALA 97 Cb 1.19 0.60 -0.22 0.00 0.00 0.00 0.00 17.79 19.36 3kiy h ALA 97 CO 0.48 -1.05 -0.68 0.15 0.00 0.00 0.00 179.25 178.15 3kiy s LYS 98 N -5.00 3.63 -0.55 0.00 3.01 -1.26 -4.63 119.74 114.94 3kiy s LYS 98 Ca -0.12 -0.54 0.07 0.00 -1.01 0.00 0.00 55.97 54.36 3kiy s LYS 98 Cb 0.03 -2.91 0.25 0.00 -1.01 0.00 0.00 37.83 34.19 3kiy s LYS 98 CO 0.42 0.19 0.68 1.47 0.51 0.00 0.00 175.35 178.62 3kiy n LEU 99 N 3.67 2.57 0.03 3.17 -0.00 -0.97 -4.82 117.00 120.65 3kiy n LEU 99 Ca -0.17 -5.20 0.12 0.00 -0.00 0.00 0.00 56.01 50.76 3kiy n LEU 99 Cb 0.52 -0.23 0.49 0.00 -0.00 0.00 0.00 43.42 44.21 3kiy n LEU 99 CO 0.32 2.07 0.88 -1.22 -0.00 0.00 0.00 177.39 179.44 3kiy n TYR 100 N 1.01 0.22 -0.27 1.47 4.02 -1.26 -3.34 117.16 119.02 3kiy n TYR 100 Ca 0.27 0.07 0.19 0.00 -0.01 0.00 0.00 57.90 58.42 3kiy n TYR 100 Cb 0.45 -0.62 0.50 0.00 -0.02 0.00 0.00 39.34 39.65 3kiy n TYR 100 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3kiy h PHE 101 N 0.00 0.59 -0.20 -0.72 -0.00 -1.96 0.39 116.94 115.04 3kiy h PHE 101 Ca 0.00 0.02 0.06 0.00 -0.00 0.00 0.00 57.97 58.05 3kiy h PHE 101 Cb 0.46 -0.18 -0.01 0.00 -0.00 0.00 0.00 35.95 36.22 3kiy h PHE 101 CO 0.00 0.14 0.20 -0.84 -0.00 0.00 0.00 178.31 177.80 3kiy h ILE 102 N 0.43 0.56 -0.61 0.88 3.07 -1.83 -2.83 117.51 117.19 3kiy h ILE 102 Ca 0.50 0.00 0.10 0.00 1.55 0.00 0.00 64.86 67.01 3kiy h ILE 102 Cb 1.21 0.85 -0.11 0.00 -0.27 0.00 0.00 36.82 38.50 3kiy h ILE 102 CO -0.21 0.00 -0.35 0.03 -1.05 0.00 0.00 178.15 176.57 3kiy h ARG 103 N 0.00 -0.16 0.00 0.16 3.08 -0.47 -3.17 114.38 113.82 3kiy h ARG 103 Ca 0.10 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3kiy h ARG 103 Cb 0.48 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3kiy h ARG 103 CO -0.00 -0.11 0.00 0.09 -1.07 0.00 0.00 179.97 178.88 3kiy n ASN 104 N -5.43 0.00 -4.52 7.04 3.02 -1.07 -4.51 115.26 109.80 3kiy n ASN 104 Ca 0.04 0.02 -0.42 0.00 -0.03 0.00 0.00 54.58 54.19 3kiy n ASN 104 Cb 0.36 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 3kiy n ASN 104 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kiy s LEU 105 N -0.09 3.93 0.17 3.41 1.43 -1.26 -4.90 118.68 121.38 3kiy s LEU 105 Ca 0.00 -1.30 0.05 0.00 -1.03 0.00 0.00 54.13 51.85 3kiy s LEU 105 Cb 0.00 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 3kiy s LEU 105 CO 0.00 -1.46 -0.09 -0.94 0.23 0.00 0.00 176.35 174.08 3kiy s SER 106 N 4.20 1.99 0.00 2.29 1.04 -1.20 -4.65 113.70 117.37 3kiy s SER 106 Ca 0.37 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.75 3kiy s SER 106 Cb -0.06 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.03 3kiy s SER 106 CO -0.01 -0.32 0.00 -0.90 0.98 0.00 0.00 173.24 172.98 3kiy n ASP 107 N -0.28 0.00 -0.07 7.02 3.85 -1.26 -4.76 116.55 121.05 3kiy n ASP 107 Ca -0.09 0.00 0.01 0.00 -0.71 0.00 0.00 54.79 54.00 3kiy n ASP 107 Cb 0.61 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.38 3kiy n ASP 107 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 3kiy n ARG 108 N 0.00 1.96 0.04 0.11 0.63 -1.26 -4.27 116.66 113.87 3kiy n ARG 108 Ca 0.00 -0.41 -0.03 0.00 -0.92 0.00 0.00 57.85 56.49 3kiy n ARG 108 Cb 0.00 -0.89 -0.08 0.00 0.45 0.00 0.00 32.46 31.94 3kiy n ARG 108 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3kiy h GLU 109 N 0.33 0.00 -0.33 -0.14 5.08 -1.90 -3.04 114.58 114.59 3kiy h GLU 109 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3kiy h GLU 109 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3kiy h GLU 109 CO 0.00 0.45 0.17 0.82 -1.00 0.00 0.00 179.01 179.46 3kiy h ILE 110 N 0.00 1.00 -0.67 3.13 1.08 -1.83 0.44 117.51 120.67 3kiy h ILE 110 Ca -0.15 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 3kiy h ILE 110 Cb 1.68 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 36.02 3kiy h ILE 110 CO 0.07 0.07 0.38 0.03 -0.69 0.00 0.00 178.15 178.00 3kiy h ARG 111 N 0.36 0.92 -0.34 2.37 3.08 -1.77 0.68 114.38 119.68 3kiy h ARG 111 Ca 0.13 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 3kiy h ARG 111 Cb 0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3kiy h ARG 111 CO -0.08 0.68 -0.07 -0.09 -1.07 0.00 0.00 179.97 179.34 3kiy h ARG 112 N 0.91 0.56 0.00 0.04 2.43 -1.22 -2.92 114.38 114.18 3kiy h ARG 112 Ca 0.24 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3kiy h ARG 112 Cb 0.02 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3kiy h ARG 112 CO -0.04 0.64 -0.32 1.63 -1.51 0.00 0.00 179.97 180.37 3kiy n LYS 113 N -4.22 0.04 -3.13 0.20 4.76 0.15 -4.39 118.16 111.56 3kiy n LYS 113 Ca 0.01 0.02 -0.22 0.00 -2.87 0.00 0.00 58.31 55.25 3kiy n LYS 113 Cb 0.30 -1.53 -0.04 0.00 -1.84 0.00 0.00 35.03 31.92 3kiy n LYS 113 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3kiy n LEU 114 N -1.59 2.00 -4.81 -0.35 4.77 0.23 -4.84 117.00 112.41 3kiy n LEU 114 Ca 0.06 -5.20 -0.33 0.00 -0.03 0.00 0.00 56.01 50.51 3kiy n LEU 114 Cb 0.35 0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.69 3kiy n LEU 114 CO 0.32 2.28 0.71 -0.13 -1.33 0.00 0.00 177.39 179.24 3kiy s ARG 115 N -2.62 3.60 0.32 3.23 1.81 -1.23 -4.24 118.95 119.82 3kiy s ARG 115 Ca 0.42 1.23 -0.26 0.00 -1.72 0.00 0.00 55.73 55.40 3kiy s ARG 115 Cb 0.30 -2.07 -0.14 0.00 -0.45 0.00 0.00 34.95 32.59 3kiy s ARG 115 CO -0.10 -0.58 0.82 0.00 -0.68 0.00 0.00 175.30 174.76 3kiy n ALA 116 N -1.55 -0.91 -2.76 2.13 0.00 -1.26 -3.61 120.51 112.55 3kiy n ALA 116 Ca 0.09 0.32 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 3kiy n ALA 116 Cb 0.53 -1.90 0.01 0.00 0.00 0.00 0.00 19.45 18.08 3kiy n ALA 116 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kiy n ASP 117 N 1.28 5.61 -0.60 0.00 -0.08 -1.20 -4.84 116.55 116.72 3kiy n ASP 117 Ca 0.11 -3.19 0.48 0.00 -1.51 0.00 0.00 54.79 50.68 3kiy n ASP 117 Cb 0.34 -1.41 0.78 0.00 2.34 0.00 0.00 41.12 43.16 3kiy n ASP 117 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3kiy h ARG 118 N 5.94 0.01 0.78 -0.67 3.08 -1.91 0.11 114.38 121.72 3kiy h ARG 118 Ca 0.30 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.31 3kiy h ARG 118 Cb 0.68 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.74 3kiy h ARG 118 CO 1.41 0.01 -0.37 -0.22 -1.07 0.00 0.00 179.97 179.72 3kiy h LYS 119 N 0.01 -1.01 0.00 0.04 3.64 -1.99 -1.63 116.57 115.64 3kiy h LYS 119 Ca 0.88 0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 60.30 3kiy h LYS 119 Cb 3.34 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 35.38 3kiy h LYS 119 CO -0.12 -0.66 -0.13 0.00 -2.27 0.00 0.00 179.45 176.27 3kiy h ARG 120 N -1.24 0.00 0.01 1.90 3.08 -1.23 -2.85 114.38 114.05 3kiy h ARG 120 Ca -0.11 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 3kiy h ARG 120 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3kiy h ARG 120 CO 0.18 0.13 -0.00 0.82 -1.07 0.00 0.00 179.97 180.02 3kiy h ILE 121 N 0.00 1.49 -0.69 2.04 2.04 -1.22 -3.25 117.51 117.92 3kiy h ILE 121 Ca -0.00 -1.49 0.15 0.00 1.00 0.00 0.00 64.86 64.52 3kiy h ILE 121 Cb 0.43 2.49 -0.11 0.00 -0.74 0.00 0.00 36.82 38.89 3kiy h ILE 121 CO 0.02 0.38 0.05 0.44 0.00 0.00 0.00 178.15 179.04 3kiy h ASP 122 N -0.65 -0.21 0.00 1.72 5.19 -1.06 0.83 116.42 122.23 3kiy h ASP 122 Ca -0.00 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 3kiy h ASP 122 Cb 0.64 0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.42 3kiy h ASP 122 CO 0.00 -0.11 0.00 0.00 -3.12 0.00 0.00 179.24 176.01 3kiy n GLN 123 N -5.27 0.60 -0.00 3.56 10.64 -1.13 -0.47 117.38 125.31 3kiy n GLN 123 Ca 0.12 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.40 3kiy n GLN 123 Cb 0.42 -1.18 -0.14 0.00 -0.86 0.00 0.00 30.24 28.48 3kiy n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3kiy n ASP 124 N -0.68 0.31 0.00 2.61 8.00 0.29 -2.62 116.55 124.45 3kiy n ASP 124 Ca 0.05 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.31 3kiy n ASP 124 Cb 0.02 1.63 0.00 0.00 -0.02 0.00 0.00 41.12 42.75 3kiy n ASP 124 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kiy n ARG 125 N -2.07 0.00 0.24 -1.24 5.12 0.38 -3.18 116.66 115.92 3kiy n ARG 125 Ca -0.02 0.25 0.05 0.00 -1.93 0.00 0.00 57.85 56.21 3kiy n ARG 125 Cb 0.50 -0.86 0.28 0.00 -1.16 0.00 0.00 32.46 31.22 3kiy n ARG 125 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kiy h ALA 126 N -2.00 1.49 -0.52 7.54 0.00 -1.69 1.00 119.26 125.08 3kiy h ALA 126 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3kiy h ALA 126 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3kiy h ALA 126 CO 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 179.25 178.67 3kiy h ALA 127 N 0.63 0.71 -1.02 0.00 0.00 -1.46 -3.07 119.26 115.04 3kiy h ALA 127 Ca 0.00 -0.34 0.30 0.00 0.00 0.00 0.00 54.91 54.87 3kiy h ALA 127 Cb 1.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3kiy h ALA 127 CO 0.00 0.60 1.04 1.05 0.00 0.00 0.00 179.25 181.94 3kiy h GLU 128 N 0.84 0.00 -0.85 0.00 -0.00 0.11 -3.45 114.58 111.23 3kiy h GLU 128 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.50 3kiy h GLU 128 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.39 3kiy h GLU 128 CO 0.04 0.00 0.00 -2.13 -0.00 0.00 0.00 179.01 176.92 3kiy n ARG 129 N -3.50 0.00 -2.85 1.06 3.00 -1.16 -4.78 116.66 108.42 3kiy n ARG 129 Ca 0.22 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.64 3kiy n ARG 129 Cb 1.36 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.79 3kiy n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kiy s ALA 130 N 0.00 3.14 -1.12 5.13 0.00 -1.26 -4.96 121.76 122.68 3kiy s ALA 130 Ca 0.00 -2.05 -0.15 0.00 0.00 0.00 0.00 51.96 49.76 3kiy s ALA 130 Cb 0.00 -3.94 0.16 0.00 0.00 0.00 0.00 23.12 19.34 3kiy s ALA 130 CO 0.00 -2.87 1.34 0.00 0.00 0.00 0.00 175.76 174.23 3kiy s ALA 131 N 3.85 3.81 -0.57 0.00 0.00 -1.26 -4.81 121.76 122.77 3kiy s ALA 131 Ca 0.26 -3.18 0.01 0.00 0.00 0.00 0.00 51.96 49.04 3kiy s ALA 131 Cb -0.13 -4.11 0.54 0.00 0.00 0.00 0.00 23.12 19.42 3kiy s ALA 131 CO 0.05 -2.84 1.98 1.63 0.00 0.00 0.00 175.76 176.58 3kiy n LYS 132 N 5.94 2.52 0.00 0.00 5.02 -1.26 -4.63 118.16 125.75 3kiy n LYS 132 Ca 0.33 -3.19 0.00 0.00 -2.02 0.00 0.00 58.31 53.43 3kiy n LYS 132 Cb 0.45 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 3kiy n LYS 132 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3kiy n GLU 133 N -1.01 0.67 -3.15 1.97 0.28 -1.26 -3.47 120.64 114.67 3kiy n GLU 133 Ca 0.61 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 57.39 3kiy n GLU 133 Cb 1.07 -1.18 -0.06 0.00 1.43 0.00 0.00 31.44 32.70 3kiy n GLU 133 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3kiy n GLU 134 N 0.60 0.63 0.00 3.44 4.07 -1.26 -5.35 120.64 122.78 3kiy n GLU 134 Ca 0.00 -2.99 0.00 0.00 -0.06 0.00 0.00 57.16 54.11 3kiy n GLU 134 Cb 0.32 -1.32 0.00 0.00 -0.06 0.00 0.00 31.44 30.37 3kiy n GLU 134 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07