#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1f n LYS 70 N 0.00 0.00 0.04 3.23 4.76 -1.26 -4.68 118.16 120.25 3k1f n LYS 70 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 3k1f n LYS 70 Cb 0.00 -3.77 -0.12 0.00 -1.84 0.00 0.00 35.03 29.30 3k1f n LYS 70 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3k1f h GLU 71 N 0.72 0.00 0.00 1.97 5.08 -2.03 -3.28 114.58 117.03 3k1f h GLU 71 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3k1f h GLU 71 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3k1f h GLU 71 CO 0.00 0.90 0.00 0.36 -1.00 0.00 0.00 179.01 179.27 3k1f n LYS 72 N -3.29 0.08 -2.41 2.33 2.85 -1.26 -4.49 118.16 111.96 3k1f n LYS 72 Ca -0.03 0.05 -0.39 0.00 -1.05 0.00 0.00 58.31 56.89 3k1f n LYS 72 Cb 0.96 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.81 3k1f n LYS 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3k1f s ALA 73 N -2.11 2.49 0.23 0.58 0.00 -1.24 -1.43 121.76 120.29 3k1f s ALA 73 Ca 0.04 -1.60 -0.31 0.00 0.00 0.00 0.00 51.96 50.09 3k1f s ALA 73 Cb 0.02 -4.40 -0.11 0.00 0.00 0.00 0.00 23.12 18.63 3k1f s ALA 73 CO 0.03 -3.72 1.56 0.42 0.00 0.00 0.00 175.76 174.05 3k1f s ILE 74 N 6.59 2.39 0.83 0.00 1.01 -0.54 -4.97 121.20 126.51 3k1f s ILE 74 Ca 0.49 0.31 -0.14 0.00 0.00 0.00 0.00 60.65 61.30 3k1f s ILE 74 Cb -0.06 -3.20 0.02 0.00 0.01 0.00 0.00 42.46 39.24 3k1f s ILE 74 CO 0.05 0.04 0.66 -0.81 0.00 0.00 0.00 174.94 174.88 3k1f n PRO 75 N 2.95 0.05 0.00 2.79 -0.04 -1.26 -4.73 135.00 134.76 3k1f n PRO 75 Ca 0.10 0.07 0.03 0.00 -0.04 0.00 0.00 63.50 63.66 3k1f n PRO 75 Cb 0.38 -2.00 0.12 0.00 -0.04 0.00 0.00 33.50 31.96 3k1f n PRO 75 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3k1f n LYS 76 N -1.76 0.00 -4.13 0.54 3.00 -1.26 -4.36 118.16 110.19 3k1f n LYS 76 Ca 0.10 0.40 -0.33 0.00 -0.00 0.00 0.00 58.31 58.48 3k1f n LYS 76 Cb 0.51 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.97 3k1f n LYS 76 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3k1f s ASP 77 N -2.99 5.57 -0.08 3.14 3.68 -1.26 -4.87 116.67 119.85 3k1f s ASP 77 Ca 0.03 0.11 -0.04 0.00 2.13 0.00 0.00 52.55 54.78 3k1f s ASP 77 Cb 0.04 -1.57 0.02 0.00 -1.45 0.00 0.00 42.92 39.95 3k1f s ASP 77 CO 0.10 0.27 0.08 0.00 0.13 0.00 0.00 175.17 175.75 3k1f n GLN 78 N 1.18 -1.74 -3.57 4.34 3.00 -1.26 -5.07 117.38 114.26 3k1f n GLN 78 Ca -0.13 1.63 -0.28 0.00 -0.01 0.00 0.00 57.00 58.20 3k1f n GLN 78 Cb 0.53 -2.64 -0.15 0.00 0.00 0.00 0.00 30.24 27.97 3k1f n GLN 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3k1f s ARG 79 N -0.82 0.19 0.50 -1.09 0.52 -1.26 -4.74 118.95 112.25 3k1f s ARG 79 Ca -0.09 -0.45 0.30 0.00 -0.52 0.00 0.00 55.73 54.97 3k1f s ARG 79 Cb 0.01 -1.37 0.98 0.00 0.52 0.00 0.00 34.95 35.09 3k1f s ARG 79 CO 0.32 -0.93 1.84 0.00 0.02 0.00 0.00 175.30 176.55 3k1f h ALA 80 N 8.39 1.00 -2.83 2.13 0.00 -2.00 -3.45 119.26 122.51 3k1f h ALA 80 Ca -0.18 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.21 3k1f h ALA 80 Cb 1.05 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.87 3k1f h ALA 80 CO 0.40 0.00 0.53 0.95 0.00 0.00 0.00 179.25 181.13 3k1f s THR 81 N -3.49 3.23 0.29 0.00 -4.23 -1.26 -4.98 115.64 105.20 3k1f s THR 81 Ca 0.03 1.24 -0.29 0.00 -1.18 0.00 0.00 61.69 61.49 3k1f s THR 81 Cb 0.08 -3.79 -0.13 0.00 1.34 0.00 0.00 72.50 69.99 3k1f s THR 81 CO 0.59 0.30 1.24 0.41 -0.54 0.00 0.00 174.62 176.62 3k1f n THR 82 N 1.06 1.63 0.53 3.99 -1.04 -1.26 -4.92 114.28 114.26 3k1f n THR 82 Ca -0.01 -0.41 0.11 0.00 -2.04 0.00 0.00 64.05 61.70 3k1f n THR 82 Cb 0.44 -1.35 0.44 0.00 -1.82 0.00 0.00 70.33 68.04 3k1f n THR 82 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3k1f n PRO 83 N 1.09 0.13 -2.97 -2.82 -0.04 -1.26 -4.79 135.00 124.34 3k1f n PRO 83 Ca 0.08 0.30 -0.29 0.00 -0.04 0.00 0.00 63.50 63.55 3k1f n PRO 83 Cb 0.33 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.04 3k1f n PRO 83 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3k1f s TYR 84 N -3.16 3.49 -0.12 0.54 1.51 -1.26 -1.18 117.35 117.16 3k1f s TYR 84 Ca 0.07 0.87 -0.18 0.00 -1.01 0.00 0.00 57.07 56.82 3k1f s TYR 84 Cb 0.11 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 3k1f s TYR 84 CO 0.40 -0.05 0.46 1.41 -1.11 0.00 0.00 175.55 176.67 3k1f s MET 85 N -3.94 4.33 0.64 -0.62 1.75 -0.34 -4.78 119.30 116.33 3k1f s MET 85 Ca 0.48 0.42 -0.13 0.00 -1.25 0.00 0.00 55.69 55.21 3k1f s MET 85 Cb -0.10 -3.44 -0.02 0.00 2.84 0.00 0.00 34.83 34.11 3k1f s MET 85 CO 0.33 0.15 1.05 0.95 -0.65 0.00 0.00 175.02 176.86 3k1f s THR 86 N 0.65 4.00 0.28 10.11 -4.23 -1.26 -4.82 115.64 120.37 3k1f s THR 86 Ca 0.25 0.79 0.01 0.00 -1.18 0.00 0.00 61.69 61.57 3k1f s THR 86 Cb -0.15 -3.44 0.28 0.00 1.34 0.00 0.00 72.50 70.54 3k1f s THR 86 CO 0.10 -0.71 1.84 0.07 -0.54 0.00 0.00 174.62 175.38 3k1f h LYS 87 N -0.10 0.98 -0.64 3.99 2.10 -1.99 -0.88 116.57 120.02 3k1f h LYS 87 Ca -0.45 -0.06 -0.06 0.00 -2.00 0.00 0.00 60.65 58.08 3k1f h LYS 87 Cb 1.21 -0.22 -0.03 0.00 -0.90 0.00 0.00 32.23 32.29 3k1f h LYS 87 CO 0.58 0.65 0.16 1.88 -2.00 0.00 0.00 179.45 180.71 3k1f h TYR 88 N 1.01 1.08 0.45 0.07 -1.99 -1.99 -1.97 116.97 113.63 3k1f h TYR 88 Ca 0.49 -0.13 -0.02 0.00 2.00 0.00 0.00 58.73 61.07 3k1f h TYR 88 Cb 0.46 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 38.89 3k1f h TYR 88 CO -0.00 0.89 -0.22 0.93 -0.00 0.00 0.00 178.16 179.76 3k1f h GLU 89 N 0.95 -0.59 -0.93 4.88 5.08 -1.60 -1.99 114.58 120.38 3k1f h GLU 89 Ca 0.20 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.77 3k1f h GLU 89 Cb 0.35 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 3k1f h GLU 89 CO 0.00 -0.39 0.53 0.07 -1.00 0.00 0.00 179.01 178.22 3k1f h ARG 90 N -0.71 0.68 -0.85 2.33 0.11 -1.26 0.70 114.38 115.38 3k1f h ARG 90 Ca -0.06 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 59.95 3k1f h ARG 90 Cb 0.47 -0.15 -0.04 0.00 1.11 0.00 0.00 29.97 31.35 3k1f h ARG 90 CO 0.10 0.45 0.41 0.00 0.10 0.00 0.00 179.97 181.03 3k1f h ALA 91 N 1.61 1.09 0.01 0.08 0.00 -1.39 -0.70 119.26 119.96 3k1f h ALA 91 Ca 0.52 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 55.02 3k1f h ALA 91 Cb 0.78 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 18.25 3k1f h ALA 91 CO -0.37 0.66 -0.97 -0.09 0.00 0.00 0.00 179.25 178.47 3k1f h ARG 92 N 1.21 0.65 0.00 0.00 2.43 -0.28 -0.82 114.38 117.57 3k1f h ARG 92 Ca 0.29 -0.70 0.02 0.00 -0.81 0.00 0.00 59.98 58.78 3k1f h ARG 92 Cb 0.11 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3k1f h ARG 92 CO -0.04 1.29 -0.12 0.82 -1.51 0.00 0.00 179.97 180.42 3k1f h ILE 93 N 0.29 0.71 -0.71 1.20 2.04 -0.86 0.02 117.51 120.21 3k1f h ILE 93 Ca -0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3k1f h ILE 93 Cb 1.64 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 3k1f h ILE 93 CO 0.19 0.00 0.38 -0.07 0.00 0.00 0.00 178.15 178.65 3k1f h LEU 94 N -0.20 0.89 0.24 1.44 3.38 -1.19 0.36 115.31 120.23 3k1f h LEU 94 Ca 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3k1f h LEU 94 Cb 0.25 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3k1f h LEU 94 CO -0.12 0.74 -0.11 1.23 0.09 0.00 0.00 178.44 180.27 3k1f h GLY 95 N 0.98 -0.33 0.87 0.83 0.00 -0.82 -0.02 103.07 104.57 3k1f h GLY 95 Ca 0.25 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 3k1f h GLY 95 CO -0.04 -0.12 0.01 -0.84 0.00 0.00 0.00 176.54 175.55 3k1f h THR 96 N -0.38 1.11 -0.99 4.70 2.02 -0.94 -0.28 112.91 118.15 3k1f h THR 96 Ca -0.03 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 66.84 3k1f h THR 96 Cb 0.29 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 3k1f h THR 96 CO 0.05 0.09 0.65 -0.09 0.37 0.00 0.00 175.52 176.60 3k1f h ARG 97 N -0.10 1.26 -0.31 6.66 9.65 -0.92 0.12 114.38 130.75 3k1f h ARG 97 Ca 0.01 -0.08 -0.15 0.00 -1.10 0.00 0.00 59.98 58.66 3k1f h ARG 97 Cb 0.14 -0.28 -0.01 0.00 -1.39 0.00 0.00 29.97 28.42 3k1f h ARG 97 CO -0.00 0.83 -0.41 0.00 2.80 0.00 0.00 179.97 183.19 3k1f h ALA 98 N 1.40 0.69 -0.87 2.80 0.00 -0.85 -0.59 119.26 121.85 3k1f h ALA 98 Ca 0.38 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3k1f h ALA 98 Cb -0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3k1f h ALA 98 CO -0.10 0.67 0.43 1.25 0.00 0.00 0.00 179.25 181.50 3k1f h LEU 99 N 0.62 1.12 -0.21 0.00 5.85 -0.32 -0.78 115.31 121.58 3k1f h LEU 99 Ca 0.05 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 3k1f h LEU 99 Cb 0.96 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 3k1f h LEU 99 CO 0.09 0.93 -0.19 1.56 -0.34 0.00 0.00 178.44 180.49 3k1f h GLN 100 N 1.23 0.50 -0.64 1.25 4.20 -0.86 -2.25 115.11 118.54 3k1f h GLN 100 Ca 0.30 -0.26 0.09 0.00 0.06 0.00 0.00 58.65 58.84 3k1f h GLN 100 Cb 0.09 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 3k1f h GLN 100 CO -0.04 0.83 0.43 0.82 -0.67 0.00 0.00 178.83 180.19 3k1f h ILE 101 N 0.19 0.94 0.00 2.54 2.04 -0.71 0.37 117.51 122.88 3k1f h ILE 101 Ca 0.04 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 3k1f h ILE 101 Cb 0.72 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3k1f h ILE 101 CO 0.05 0.10 -0.46 0.77 0.00 0.00 0.00 178.15 178.61 3k1f h SER 102 N 0.53 0.00 -0.06 1.72 4.64 -1.04 -2.68 113.55 116.68 3k1f h SER 102 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3k1f h SER 102 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3k1f h SER 102 CO -0.09 0.46 0.00 0.23 -0.87 0.00 0.00 176.83 176.56 3k1f n MET 103 N -3.36 1.14 -3.01 4.77 2.81 -0.03 -4.85 117.12 114.59 3k1f n MET 103 Ca 0.01 -0.21 -0.12 0.00 -1.81 0.00 0.00 57.70 55.57 3k1f n MET 103 Cb 0.63 -1.08 0.06 0.00 -0.71 0.00 0.00 33.22 32.12 3k1f n MET 103 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3k1f n ASN 104 N -0.31 -2.51 -4.83 7.83 3.02 -1.01 -5.04 115.26 112.42 3k1f n ASN 104 Ca 0.02 -0.41 -0.32 0.00 -0.03 0.00 0.00 54.58 53.84 3k1f n ASN 104 Cb 0.07 -3.61 0.01 0.00 -0.61 0.00 0.00 39.78 35.63 3k1f n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k1f s ALA 105 N -3.24 2.87 0.30 5.41 0.00 -0.33 -4.99 121.76 121.77 3k1f s ALA 105 Ca 0.07 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 3k1f s ALA 105 Cb -0.03 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.83 3k1f s ALA 105 CO 0.49 -0.73 1.24 -2.14 0.00 0.00 0.00 175.76 174.62 3k1f s PRO 106 N -4.44 4.45 -0.32 0.00 0.02 -1.26 -4.73 135.00 128.72 3k1f s PRO 106 Ca 0.60 2.06 -0.14 0.00 0.02 0.00 0.00 61.00 63.54 3k1f s PRO 106 Cb -0.13 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 3k1f s PRO 106 CO 0.42 -0.06 0.31 0.08 -0.33 0.00 0.00 177.00 177.41 3k1f s VAL 107 N -0.98 5.22 0.04 3.83 1.01 -1.26 -4.99 120.40 123.28 3k1f s VAL 107 Ca 0.48 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.40 3k1f s VAL 107 Cb -0.37 -3.73 -0.30 0.00 0.00 0.00 0.00 36.38 31.99 3k1f s VAL 107 CO 0.47 0.03 1.08 -0.26 0.00 0.00 0.00 175.10 176.41 3k1f h PHE 108 N 8.41 0.98 -3.82 5.22 -1.00 -1.95 -3.45 116.94 121.32 3k1f h PHE 108 Ca -0.31 -0.63 -0.50 0.00 2.81 0.00 0.00 57.97 59.34 3k1f h PHE 108 Cb 1.16 -0.07 0.01 0.00 3.61 0.00 0.00 35.95 40.65 3k1f h PHE 108 CO 0.71 1.47 0.44 0.08 -1.61 0.00 0.00 178.31 179.40 3k1f s VAL 109 N -2.92 3.63 -0.31 -0.55 1.01 -1.26 -4.99 120.40 115.02 3k1f s VAL 109 Ca -0.10 1.58 -0.29 0.00 0.00 0.00 0.00 61.98 63.17 3k1f s VAL 109 Cb 0.05 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.46 3k1f s VAL 109 CO 0.93 0.32 1.18 -1.81 0.00 0.00 0.00 175.10 175.72 3k1f s ASP 110 N -1.05 6.81 -0.50 3.32 1.01 -1.26 -4.92 116.67 120.08 3k1f s ASP 110 Ca 0.46 1.12 -0.27 0.00 0.71 0.00 0.00 52.55 54.57 3k1f s ASP 110 Cb -0.29 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.01 3k1f s ASP 110 CO 0.37 -0.97 2.41 0.18 0.21 0.00 0.00 175.17 177.37 3k1f n LEU 111 N 7.20 2.24 -2.67 1.23 4.32 -1.26 -4.86 117.00 123.21 3k1f n LEU 111 Ca 0.13 -0.32 -0.26 0.00 -0.02 0.00 0.00 56.01 55.54 3k1f n LEU 111 Cb 0.47 -1.51 -0.10 0.00 -1.62 0.00 0.00 43.42 40.66 3k1f n LEU 111 CO 0.61 -1.36 2.52 -0.62 -1.22 0.00 0.00 177.39 177.32 3k1f n GLU 112 N 8.90 2.84 -2.72 3.23 4.71 -1.26 -4.37 120.64 131.98 3k1f n GLU 112 Ca 0.39 -1.60 -0.09 0.00 -0.01 0.00 0.00 57.16 55.85 3k1f n GLU 112 Cb 0.47 -2.40 0.05 0.00 -1.01 0.00 0.00 31.44 28.55 3k1f n GLU 112 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3k1f n GLY 113 N 3.06 0.02 3.54 0.62 0.00 -1.26 -5.03 105.19 106.14 3k1f n GLY 113 Ca 0.61 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 3k1f n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k1f s GLU 114 N -4.64 3.85 -0.21 1.61 0.41 -1.26 -4.98 118.70 113.48 3k1f s GLU 114 Ca 0.01 -0.38 0.09 0.00 -0.41 0.00 0.00 54.97 54.28 3k1f s GLU 114 Cb -0.00 -3.47 -0.21 0.00 -1.78 0.00 0.00 34.13 28.67 3k1f s GLU 114 CO 0.38 -0.11 0.00 0.25 -0.49 0.00 0.00 175.26 175.29 3k1f n THR 115 N 4.77 1.48 -2.99 3.63 -2.24 -1.26 -4.93 114.28 112.74 3k1f n THR 115 Ca -0.15 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.50 3k1f n THR 115 Cb 0.52 -1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 67.67 3k1f n THR 115 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k1f s ASP 116 N -6.11 6.60 0.54 3.42 -1.08 -1.26 -4.97 116.67 113.80 3k1f s ASP 116 Ca -0.22 0.53 0.27 0.00 -0.52 0.00 0.00 52.55 52.62 3k1f s ASP 116 Cb 0.08 -2.38 1.44 0.00 -1.46 0.00 0.00 42.92 40.59 3k1f s ASP 116 CO 0.72 -0.60 1.98 1.55 0.52 0.00 0.00 175.17 179.34 3k1f h PRO 117 N 8.21 0.00 -0.13 4.34 0.13 -1.92 -0.99 132.00 141.64 3k1f h PRO 117 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 3k1f h PRO 117 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3k1f h PRO 117 CO 0.87 0.00 0.03 1.25 -0.23 0.00 0.00 178.00 179.92 3k1f h LEU 118 N 0.00 0.21 -0.65 1.56 5.85 -1.91 -0.69 115.31 119.67 3k1f h LEU 118 Ca 0.26 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3k1f h LEU 118 Cb 1.08 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 3k1f h LEU 118 CO -0.00 0.39 0.17 -0.09 -0.34 0.00 0.00 178.44 178.57 3k1f h ARG 119 N 0.01 1.03 -0.18 1.25 9.65 -1.65 -0.33 114.38 124.15 3k1f h ARG 119 Ca 0.04 -0.24 0.03 0.00 -1.10 0.00 0.00 59.98 58.71 3k1f h ARG 119 Cb 0.27 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 3k1f h ARG 119 CO 0.00 0.92 -0.00 0.82 2.80 0.00 0.00 179.97 184.51 3k1f h ILE 120 N 0.95 0.87 -0.62 1.20 2.04 -1.14 -1.04 117.51 119.77 3k1f h ILE 120 Ca 0.20 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 66.02 3k1f h ILE 120 Cb 0.35 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3k1f h ILE 120 CO 0.00 0.01 0.27 0.00 0.00 0.00 0.00 178.15 178.43 3k1f h ALA 121 N 1.16 1.30 -0.50 1.87 0.00 -0.80 -0.44 119.26 121.85 3k1f h ALA 121 Ca 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3k1f h ALA 121 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3k1f h ALA 121 CO -0.15 0.53 0.21 0.52 0.00 0.00 0.00 179.25 180.35 3k1f h MET 122 N 0.88 0.74 -0.30 0.00 2.86 -0.43 -0.74 114.93 117.95 3k1f h MET 122 Ca 0.21 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 3k1f h MET 122 Cb 0.14 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3k1f h MET 122 CO -0.02 0.65 -0.31 -0.22 1.06 0.00 0.00 176.91 178.07 3k1f h LYS 123 N 0.67 0.62 -0.67 1.72 3.64 -0.87 -1.45 116.57 120.23 3k1f h LYS 123 Ca 0.17 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3k1f h LYS 123 Cb 0.18 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3k1f h LYS 123 CO -0.02 0.85 0.39 0.93 -2.27 0.00 0.00 179.45 179.33 3k1f h GLU 124 N 0.53 0.91 0.00 1.90 5.08 -0.66 0.22 114.58 122.56 3k1f h GLU 124 Ca 0.06 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 3k1f h GLU 124 Cb 0.79 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3k1f h GLU 124 CO 0.07 0.65 -0.67 1.25 -1.00 0.00 0.00 179.01 179.30 3k1f h LEU 125 N 0.92 0.00 -0.07 1.33 5.85 -0.93 -0.46 115.31 121.94 3k1f h LEU 125 Ca 0.24 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.77 3k1f h LEU 125 Cb -0.01 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.03 3k1f h LEU 125 CO -0.04 0.67 -0.71 0.00 -0.34 0.00 0.00 178.44 178.02 3k1f h ALA 126 N 1.33 0.18 -0.13 1.25 0.00 -0.29 -3.15 119.26 118.45 3k1f h ALA 126 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3k1f h ALA 126 Cb 1.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3k1f h ALA 126 CO 0.09 0.51 0.00 0.39 0.00 0.00 0.00 179.25 180.24 3k1f n GLU 127 N -4.08 1.46 -2.76 0.00 1.02 0.67 -4.91 120.64 112.04 3k1f n GLU 127 Ca -0.09 -0.69 -0.16 0.00 -0.02 0.00 0.00 57.16 56.20 3k1f n GLU 127 Cb 0.71 -1.30 -0.00 0.00 -0.02 0.00 0.00 31.44 30.83 3k1f n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3k1f n LYS 128 N -0.05 -2.77 -0.98 3.49 4.76 -1.00 -4.87 118.16 116.75 3k1f n LYS 128 Ca 0.13 0.56 -0.02 0.00 -2.87 0.00 0.00 58.31 56.11 3k1f n LYS 128 Cb 0.21 -5.20 0.34 0.00 -1.84 0.00 0.00 35.03 28.54 3k1f n LYS 128 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3k1f n LYS 129 N -3.15 4.08 -3.31 1.97 5.02 -0.22 -4.72 118.16 117.83 3k1f n LYS 129 Ca -0.10 -3.12 -0.38 0.00 -2.02 0.00 0.00 58.31 52.69 3k1f n LYS 129 Cb 0.59 -2.23 -0.06 0.00 -0.02 0.00 0.00 35.03 33.31 3k1f n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3k1f s ILE 130 N -2.94 4.92 -0.46 -0.18 1.01 -1.21 -4.75 121.20 117.60 3k1f s ILE 130 Ca 0.55 1.11 0.08 0.00 0.00 0.00 0.00 60.65 62.39 3k1f s ILE 130 Cb 0.43 -3.86 0.53 0.00 0.01 0.00 0.00 42.46 39.58 3k1f s ILE 130 CO 0.14 0.48 1.39 -0.81 0.00 0.00 0.00 174.94 176.14 3k1f n PRO 131 N 2.37 3.25 -3.16 2.79 -0.04 -1.26 -4.73 135.00 134.23 3k1f n PRO 131 Ca -0.09 -2.09 -0.37 0.00 -0.04 0.00 0.00 63.50 60.91 3k1f n PRO 131 Cb 0.51 -1.97 -0.06 0.00 -0.04 0.00 0.00 33.50 31.94 3k1f n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k1f s LEU 132 N -1.91 4.45 -0.19 1.53 1.43 -1.26 -5.01 118.68 117.72 3k1f s LEU 132 Ca 0.37 1.38 0.01 0.00 -1.03 0.00 0.00 54.13 54.86 3k1f s LEU 132 Cb 0.29 -3.29 0.02 0.00 0.03 0.00 0.00 46.19 43.24 3k1f s LEU 132 CO 0.10 0.15 -0.19 -0.69 0.23 0.00 0.00 176.35 175.95 3k1f s VAL 133 N -1.32 2.10 -0.30 -1.59 1.01 -1.26 -1.72 120.40 117.32 3k1f s VAL 133 Ca 0.37 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 61.18 3k1f s VAL 133 Cb -0.19 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 3k1f s VAL 133 CO 0.21 0.49 0.54 -0.63 0.00 0.00 0.00 175.10 175.71 3k1f s ILE 134 N 1.28 5.02 -0.69 2.22 1.09 0.49 -4.92 121.20 125.69 3k1f s ILE 134 Ca 0.04 0.68 -0.19 0.00 -1.10 0.00 0.00 60.65 60.08 3k1f s ILE 134 Cb -0.14 -3.91 0.12 0.00 -1.06 0.00 0.00 42.46 37.47 3k1f s ILE 134 CO -0.12 -0.07 0.83 -0.60 -0.10 0.00 0.00 174.94 174.88 3k1f s ARG 135 N 2.40 3.22 -0.20 2.79 3.52 -1.26 -1.09 118.95 128.34 3k1f s ARG 135 Ca 0.21 -1.47 -0.27 0.00 -0.13 0.00 0.00 55.73 54.07 3k1f s ARG 135 Cb -0.15 -4.41 -0.00 0.00 -1.56 0.00 0.00 34.95 28.83 3k1f s ARG 135 CO 0.11 -1.60 0.92 1.03 -0.81 0.00 0.00 175.30 174.95 3k1f s ARG 136 N 2.58 4.27 -0.25 5.12 0.52 -0.72 -4.93 118.95 125.55 3k1f s ARG 136 Ca 0.18 1.15 -0.18 0.00 -0.52 0.00 0.00 55.73 56.36 3k1f s ARG 136 Cb -0.18 -3.61 -0.03 0.00 0.52 0.00 0.00 34.95 31.65 3k1f s ARG 136 CO 0.02 -0.47 0.50 0.71 0.02 0.00 0.00 175.30 176.08 3k1f s TYR 137 N 2.63 3.29 0.16 -0.53 1.51 -1.26 -1.98 117.35 121.17 3k1f s TYR 137 Ca 0.40 0.64 -0.30 0.00 -1.01 0.00 0.00 57.07 56.81 3k1f s TYR 137 Cb -0.16 -2.69 -0.07 0.00 -0.11 0.00 0.00 41.96 38.93 3k1f s TYR 137 CO 0.10 -0.24 0.93 -0.51 -1.11 0.00 0.00 175.55 174.72 3k1f s LEU 138 N 2.15 4.56 0.26 -1.29 1.43 -0.08 -4.98 118.68 120.73 3k1f s LEU 138 Ca 0.21 1.83 -0.01 0.00 -1.03 0.00 0.00 54.13 55.13 3k1f s LEU 138 Cb -0.16 -3.57 0.58 0.00 0.03 0.00 0.00 46.19 43.08 3k1f s LEU 138 CO 0.09 0.04 1.36 -0.81 0.23 0.00 0.00 176.35 177.26 3k1f n PRO 139 N 2.23 -0.07 0.22 1.29 -0.04 -1.26 -2.03 135.00 135.34 3k1f n PRO 139 Ca 0.00 1.32 0.16 0.00 -0.04 0.00 0.00 63.50 64.94 3k1f n PRO 139 Cb 0.48 -2.05 0.83 0.00 -0.04 0.00 0.00 33.50 32.72 3k1f n PRO 139 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3k1f h ASP 140 N 0.00 0.00 0.00 3.54 2.03 -2.05 -3.45 116.42 116.49 3k1f h ASP 140 Ca 0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.79 3k1f h ASP 140 Cb 0.95 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.45 3k1f h ASP 140 CO -0.84 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 177.98 3k1f n GLY 141 N -1.41 1.38 3.39 7.15 0.00 -0.86 -5.15 105.19 109.69 3k1f n GLY 141 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3k1f n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k1f n SER 142 N 0.00 -2.02 -3.70 1.61 7.64 -1.23 -4.75 113.62 111.18 3k1f n SER 142 Ca 0.00 0.19 -0.14 0.00 1.01 0.00 0.00 58.87 59.93 3k1f n SER 142 Cb 0.00 -1.15 -0.09 0.00 -1.01 0.00 0.00 64.21 61.96 3k1f n SER 142 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3k1f s PHE 143 N -2.37 -0.48 -0.24 1.43 -0.12 -0.51 -0.90 117.98 114.79 3k1f s PHE 143 Ca 0.58 1.09 0.01 0.00 -0.05 0.00 0.00 56.93 58.55 3k1f s PHE 143 Cb -0.19 0.19 0.04 0.00 -0.63 0.00 0.00 43.02 42.43 3k1f s PHE 143 CO 0.66 -0.31 -0.10 -1.21 -0.05 0.00 0.00 175.22 174.21 3k1f s GLU 144 N -0.17 2.58 -0.28 1.99 2.02 -0.84 -1.47 118.70 122.53 3k1f s GLU 144 Ca -0.04 -1.13 -0.24 0.00 0.02 0.00 0.00 54.97 53.59 3k1f s GLU 144 Cb -0.03 -2.88 -0.00 0.00 0.10 0.00 0.00 34.13 31.31 3k1f s GLU 144 CO 0.02 -0.45 0.80 -0.51 0.02 0.00 0.00 175.26 175.14 3k1f s ASP 145 N 1.22 6.73 0.08 -0.19 1.01 -1.26 -1.75 116.67 122.50 3k1f s ASP 145 Ca -0.03 0.82 0.09 0.00 0.71 0.00 0.00 52.55 54.14 3k1f s ASP 145 Cb -0.18 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 3k1f s ASP 145 CO -0.06 -0.56 -0.24 0.26 0.21 0.00 0.00 175.17 174.78 3k1f s TRP 146 N 2.89 2.09 0.38 4.23 0.52 -0.25 -4.98 118.94 123.83 3k1f s TRP 146 Ca 0.33 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.06 3k1f s TRP 146 Cb -0.15 -1.20 -0.02 0.00 -1.15 0.00 0.00 33.47 30.95 3k1f s TRP 146 CO 0.10 0.19 0.59 0.45 0.02 0.00 0.00 176.95 178.30 3k1f s SER 147 N -1.55 6.17 0.36 2.95 0.15 -1.26 -0.38 113.70 120.14 3k1f s SER 147 Ca 0.10 0.41 0.09 0.00 0.70 0.00 0.00 55.95 57.25 3k1f s SER 147 Cb -0.10 -1.89 0.70 0.00 -1.71 0.00 0.00 66.02 63.03 3k1f s SER 147 CO 0.03 -0.41 1.86 -0.37 1.20 0.00 0.00 173.24 175.55 3k1f h VAL 148 N 0.64 1.21 -0.17 4.45 -1.51 -1.63 -1.03 116.25 118.21 3k1f h VAL 148 Ca -0.49 -0.96 -0.19 0.00 -1.23 0.00 0.00 66.70 63.84 3k1f h VAL 148 Cb 1.23 1.32 -0.00 0.00 -2.13 0.00 0.00 31.29 31.71 3k1f h VAL 148 CO 0.60 0.29 -0.66 -0.08 -1.23 0.00 0.00 177.57 176.50 3k1f h GLU 149 N 0.22 0.64 -0.43 5.19 4.81 -1.84 -3.27 114.58 119.90 3k1f h GLU 149 Ca 0.04 -0.47 -0.07 0.00 -0.13 0.00 0.00 59.36 58.73 3k1f h GLU 149 Cb 0.48 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3k1f h GLU 149 CO 0.03 1.09 -0.01 0.93 -0.73 0.00 0.00 179.01 180.32 3k1f h GLU 150 N 0.47 0.76 -7.04 1.92 5.08 -1.77 -3.46 114.58 110.54 3k1f h GLU 150 Ca -0.02 -0.25 -0.47 0.00 -1.00 0.00 0.00 59.36 57.63 3k1f h GLU 150 Cb 1.24 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.44 3k1f h GLU 150 CO 0.13 0.84 0.38 -0.51 -1.00 0.00 0.00 179.01 178.84 3k1f s LEU 151 N -9.40 3.95 -0.16 1.33 1.43 -0.45 -4.95 118.68 110.43 3k1f s LEU 151 Ca -0.13 1.89 -0.16 0.00 -1.03 0.00 0.00 54.13 54.70 3k1f s LEU 151 Cb 0.10 -4.45 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 3k1f s LEU 151 CO 0.80 -0.59 0.40 -0.63 0.23 0.00 0.00 176.35 176.57 3k1f s ILE 152 N -1.95 5.22 -0.62 -0.59 1.01 -0.33 -4.90 121.20 119.03 3k1f s ILE 152 Ca 0.63 0.76 0.00 0.00 0.00 0.00 0.00 60.65 62.05 3k1f s ILE 152 Cb -0.16 -3.74 0.42 0.00 0.01 0.00 0.00 42.46 38.99 3k1f s ILE 152 CO 0.20 0.31 1.77 1.33 0.00 0.00 0.00 174.94 178.54 3k1f n VAL 153 N 3.94 3.27 -0.05 2.92 0.24 -1.26 -1.20 118.33 126.19 3k1f n VAL 153 Ca -0.09 -3.81 -0.12 0.00 -2.04 0.00 0.00 64.34 58.28 3k1f n VAL 153 Cb 0.51 -1.19 -0.07 0.00 -1.47 0.00 0.00 33.84 31.62 3k1f n VAL 153 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3k1f h ASP 154 N 2.39 -1.47 0.00 -1.34 -0.00 -1.94 -3.50 116.42 110.56 3k1f h ASP 154 Ca 0.52 0.20 0.00 0.00 -0.00 0.00 0.00 57.03 57.75 3k1f h ASP 154 Cb 0.73 0.61 0.00 0.00 -0.00 0.00 0.00 39.33 40.66 3k1f h ASP 154 CO 1.31 -0.42 0.00 0.18 -0.00 0.00 0.00 179.24 180.31