#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kac n GLY 50 N 0.00 0.75 3.36 2.61 0.00 -1.26 -5.03 105.19 105.62 3kac n GLY 50 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3kac n GLY 50 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kac n GLU 51 N -2.02 0.07 -1.98 1.61 2.13 -1.26 -4.90 120.64 114.29 3kac n GLU 51 Ca 0.00 0.03 -0.39 0.00 0.66 0.00 0.00 57.16 57.45 3kac n GLU 51 Cb 0.01 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 30.67 3kac n GLU 51 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3kac s PRO 52 N -1.05 3.84 0.30 5.31 0.04 -1.26 -4.90 135.00 137.27 3kac s PRO 52 Ca 0.61 2.21 0.06 0.00 0.04 0.00 0.00 61.00 63.92 3kac s PRO 52 Cb -0.76 -2.68 0.77 0.00 0.04 0.00 0.00 34.50 31.87 3kac s PRO 52 CO 0.60 -0.62 1.74 0.00 0.04 0.00 0.00 177.00 178.75 3kac h ALA 53 N 2.49 1.61 -2.94 8.56 0.00 -1.95 -3.43 119.26 123.59 3kac h ALA 53 Ca -0.50 0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.33 3kac h ALA 53 Cb 1.25 0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.86 3kac h ALA 53 CO 0.62 -0.21 -0.71 1.03 0.00 0.00 0.00 179.25 179.98 3kac s ARG 54 N -5.85 0.41 0.20 0.00 0.52 -1.26 -4.08 118.95 108.89 3kac s ARG 54 Ca -0.11 -0.72 0.09 0.00 -0.52 0.00 0.00 55.73 54.47 3kac s ARG 54 Cb 0.25 0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.69 3kac s ARG 54 CO 0.79 -0.03 -0.10 0.14 0.02 0.00 0.00 175.30 176.12 3kac s VAL 55 N -1.72 3.11 -0.09 3.52 -7.23 -0.59 -4.91 120.40 112.49 3kac s VAL 55 Ca -0.12 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.29 3kac s VAL 55 Cb -0.08 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 3kac s VAL 55 CO -0.02 -0.17 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.86 3kac s ARG 56 N -3.00 2.94 0.06 4.82 3.52 -0.42 -0.81 118.95 126.06 3kac s ARG 56 Ca 0.26 -0.70 0.05 0.00 -0.13 0.00 0.00 55.73 55.20 3kac s ARG 56 Cb -0.08 -2.49 -0.03 0.00 -1.56 0.00 0.00 34.95 30.79 3kac s ARG 56 CO 0.15 0.41 -0.13 0.00 -0.81 0.00 0.00 175.30 174.92 3kac s SER 58 N -1.63 6.33 0.10 0.00 0.01 -0.33 -1.08 113.70 117.10 3kac s SER 58 Ca -0.03 0.17 -0.12 0.00 1.31 0.00 0.00 55.95 57.29 3kac s SER 58 Cb -0.10 -1.91 0.01 0.00 0.21 0.00 0.00 66.02 64.24 3kac s SER 58 CO 0.02 -0.06 0.27 -1.38 0.41 0.00 0.00 173.24 172.50 3kac s HIS 59 N -1.94 0.01 -0.20 2.43 -3.43 0.80 -0.79 115.29 112.17 3kac s HIS 59 Ca 0.35 -0.40 0.01 0.00 -0.80 0.00 0.00 55.06 54.23 3kac s HIS 59 Cb -0.10 0.06 0.04 0.00 -1.43 0.00 0.00 32.58 31.15 3kac s HIS 59 CO 0.30 -0.60 -0.13 -1.17 -2.00 0.00 0.00 174.74 171.13 3kac s LEU 60 N -2.83 2.46 -0.16 5.38 0.20 -0.34 -4.50 118.68 118.89 3kac s LEU 60 Ca 0.04 -0.91 -0.08 0.00 0.69 0.00 0.00 54.13 53.87 3kac s LEU 60 Cb 0.04 -1.36 -0.04 0.00 -0.43 0.00 0.00 46.19 44.39 3kac s LEU 60 CO -0.11 -0.11 0.11 -0.22 -0.29 0.00 0.00 176.35 175.73 3kac s LEU 61 N 1.31 4.15 -0.23 -0.68 2.96 -1.26 -1.09 118.68 123.84 3kac s LEU 61 Ca -0.01 0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 54.18 3kac s LEU 61 Cb -0.16 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.52 3kac s LEU 61 CO -0.09 0.27 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.41 3kac s VAL 62 N -0.19 2.55 0.79 1.68 1.01 0.66 0.08 120.40 126.97 3kac s VAL 62 Ca 0.10 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 3kac s VAL 62 Cb -0.12 -2.25 0.09 0.00 0.00 0.00 0.00 36.38 34.10 3kac s VAL 62 CO 0.01 0.29 1.13 -0.54 0.00 0.00 0.00 175.10 175.99 3kac s LYS 63 N 1.29 1.87 0.30 2.72 1.02 -1.26 -1.27 119.74 124.41 3kac s LYS 63 Ca 0.01 -0.12 -0.07 0.00 0.02 0.00 0.00 55.97 55.80 3kac s LYS 63 Cb -0.16 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 3kac s LYS 63 CO -0.07 -1.57 0.48 -3.38 -0.92 0.00 0.00 175.35 169.89 3kac s HIS 64 N -3.49 0.73 0.18 3.18 -3.43 -1.26 -4.75 115.29 106.45 3kac s HIS 64 Ca 0.63 -1.05 0.33 0.00 -0.80 0.00 0.00 55.06 54.17 3kac s HIS 64 Cb -0.10 0.07 1.72 0.00 -1.43 0.00 0.00 32.58 32.84 3kac s HIS 64 CO 0.48 -1.09 2.01 0.66 -2.00 0.00 0.00 174.74 174.79 3kac h SER 65 N 2.18 0.00 -0.15 7.38 4.64 -0.64 -0.39 113.55 126.58 3kac h SER 65 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3kac h SER 65 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kac h SER 65 CO 0.39 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.35 3kac n GLN 66 N -2.69 2.32 -1.61 4.77 3.00 -1.26 -4.85 117.38 117.05 3kac n GLN 66 Ca -0.02 -1.95 -0.40 0.00 -0.01 0.00 0.00 57.00 54.63 3kac n GLN 66 Cb 0.09 -1.48 0.03 0.00 0.00 0.00 0.00 30.24 28.89 3kac n GLN 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3kac n SER 67 N 1.28 1.09 -0.27 1.08 7.64 -0.16 -4.90 113.62 119.39 3kac n SER 67 Ca 0.16 0.94 0.08 0.00 1.01 0.00 0.00 58.87 61.06 3kac n SER 67 Cb 0.58 -1.37 0.22 0.00 -1.01 0.00 0.00 64.21 62.62 3kac n SER 67 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3kac h ARG 68 N 1.12 0.23 -3.14 1.43 9.65 -1.20 -3.32 114.38 119.16 3kac h ARG 68 Ca -0.46 -0.01 -0.61 0.00 -1.10 0.00 0.00 59.98 57.79 3kac h ARG 68 Cb 1.35 -0.05 -0.40 0.00 -1.39 0.00 0.00 29.97 29.47 3kac h ARG 68 CO 0.54 0.15 -0.74 0.50 2.80 0.00 0.00 179.97 183.23 3kac s ARG 69 N -6.01 1.22 -1.59 0.20 3.52 -1.26 -5.03 118.95 110.00 3kac s ARG 69 Ca -0.13 -1.87 -0.10 0.00 -0.13 0.00 0.00 55.73 53.50 3kac s ARG 69 Cb 0.23 -2.34 -0.06 0.00 -1.56 0.00 0.00 34.95 31.22 3kac s ARG 69 CO 0.76 -1.13 2.83 -0.35 -0.81 0.00 0.00 175.30 176.61 3kac n PRO 70 N 3.76 3.63 -3.50 5.12 -0.04 -1.25 -4.75 135.00 137.96 3kac n PRO 70 Ca 0.07 -2.32 -0.17 0.00 -0.04 0.00 0.00 63.50 61.04 3kac n PRO 70 Cb 0.36 -2.86 -0.05 0.00 -0.04 0.00 0.00 33.50 30.90 3kac n PRO 70 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kac s SER 71 N 2.23 -0.64 0.31 3.54 1.04 -1.26 -1.34 113.70 117.57 3kac s SER 71 Ca 0.66 0.59 -0.06 0.00 0.48 0.00 0.00 55.95 57.61 3kac s SER 71 Cb 0.17 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.84 3kac s SER 71 CO -0.07 -0.67 0.47 -0.94 0.98 0.00 0.00 173.24 173.02 3kac s SER 72 N -1.47 0.51 0.65 7.02 1.04 -0.36 -4.98 113.70 116.11 3kac s SER 72 Ca -0.09 -1.30 0.28 0.00 0.48 0.00 0.00 55.95 55.33 3kac s SER 72 Cb -0.00 0.64 1.53 0.00 0.10 0.00 0.00 66.02 68.28 3kac s SER 72 CO 0.06 -1.25 1.88 4.11 0.98 0.00 0.00 173.24 179.02 3kac h TRP 73 N 2.18 0.00 0.07 5.02 5.08 -1.93 -2.89 115.95 123.48 3kac h TRP 73 Ca -0.28 0.00 -0.27 0.00 1.08 0.00 0.00 58.89 59.42 3kac h TRP 73 Cb 1.24 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.39 3kac h TRP 73 CO 1.09 0.00 -1.34 0.00 -1.28 0.00 0.00 178.44 176.91 3kac h ARG 74 N 0.00 0.16 -2.38 0.12 3.08 -1.91 -3.47 114.38 109.98 3kac h ARG 74 Ca 0.06 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.77 3kac h ARG 74 Cb 0.85 0.10 -0.23 0.00 0.08 0.00 0.00 29.97 30.77 3kac h ARG 74 CO -0.00 1.03 -0.10 -0.65 -1.07 0.00 0.00 179.97 179.18 3kac s GLN 75 N -2.65 0.61 0.38 0.04 -0.21 -1.09 -5.04 119.66 111.70 3kac s GLN 75 Ca -0.05 0.86 0.16 0.00 0.02 0.00 0.00 55.36 56.35 3kac s GLN 75 Cb 0.08 0.22 0.77 0.00 1.00 0.00 0.00 33.01 35.07 3kac s GLN 75 CO 0.85 -0.11 1.81 1.05 -2.12 0.00 0.00 175.29 176.78 3kac h GLU 76 N 5.95 0.00 -4.07 2.91 4.11 -1.92 -0.94 114.58 120.62 3kac h GLU 76 Ca -0.30 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.63 3kac h GLU 76 Cb 1.18 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.06 3kac h GLU 76 CO 0.18 0.37 -0.79 -1.14 0.07 0.00 0.00 179.01 177.70 3kac s GLN 77 N -4.00 1.26 -0.34 1.06 2.00 -1.26 -4.48 119.66 113.90 3kac s GLN 77 Ca -0.02 -0.17 -0.17 0.00 -2.00 0.00 0.00 55.36 53.00 3kac s GLN 77 Cb 0.13 -1.44 -0.01 0.00 0.80 0.00 0.00 33.01 32.49 3kac s GLN 77 CO 0.70 -0.29 0.48 0.42 -0.50 0.00 0.00 175.29 176.10 3kac s ILE 78 N 1.78 5.06 -0.95 -2.34 1.01 -0.45 -4.93 121.20 120.37 3kac s ILE 78 Ca 0.05 0.30 0.09 0.00 0.00 0.00 0.00 60.65 61.09 3kac s ILE 78 Cb -0.13 -3.92 0.02 0.00 0.01 0.00 0.00 42.46 38.44 3kac s ILE 78 CO -0.07 -0.17 0.66 0.35 0.00 0.00 0.00 174.94 175.71 3kac n THR 79 N 5.37 0.00 -2.40 2.92 -2.24 -1.26 -3.99 114.28 112.68 3kac n THR 79 Ca -0.06 -0.43 -0.35 0.00 -2.27 0.00 0.00 64.05 60.94 3kac n THR 79 Cb 0.49 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.84 3kac n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kac s ARG 80 N -1.14 3.61 0.72 -0.78 1.70 -1.26 -4.65 118.95 117.16 3kac s ARG 80 Ca 0.09 1.51 -0.09 0.00 -0.47 0.00 0.00 55.73 56.76 3kac s ARG 80 Cb 0.08 -2.09 0.05 0.00 -0.57 0.00 0.00 34.95 32.42 3kac s ARG 80 CO 0.20 -0.62 1.07 0.95 -1.08 0.00 0.00 175.30 175.82 3kac s THR 81 N -1.85 2.61 0.27 4.99 -4.23 -1.26 -0.10 115.64 116.08 3kac s THR 81 Ca 0.69 0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 61.18 3kac s THR 81 Cb -0.21 -3.16 0.27 0.00 1.34 0.00 0.00 72.50 70.75 3kac s THR 81 CO 0.24 -0.19 1.91 -0.61 -0.54 0.00 0.00 174.62 175.43 3kac h GLN 82 N -0.71 1.15 -0.33 3.99 4.15 -1.94 -0.32 115.11 121.11 3kac h GLN 82 Ca -0.45 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 58.93 3kac h GLN 82 Cb 1.30 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 28.70 3kac h GLN 82 CO 0.63 0.76 0.13 1.49 -1.93 0.00 0.00 178.83 179.92 3kac h GLU 83 N 1.19 0.28 -0.71 1.69 4.81 -1.99 0.95 114.58 120.79 3kac h GLU 83 Ca 0.39 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.56 3kac h GLU 83 Cb 0.06 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3kac h GLU 83 CO -0.13 0.18 0.27 0.93 -0.73 0.00 0.00 179.01 179.53 3kac h GLU 84 N 0.28 1.08 -0.85 1.92 5.08 -1.80 -2.07 114.58 118.22 3kac h GLU 84 Ca 0.15 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3kac h GLU 84 Cb 0.10 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 3kac h GLU 84 CO -0.14 0.90 0.53 0.00 -1.00 0.00 0.00 179.01 179.30 3kac h ALA 85 N 1.13 1.08 -0.21 3.43 0.00 -0.64 -1.54 119.26 122.52 3kac h ALA 85 Ca 0.23 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3kac h ALA 85 Cb 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kac h ALA 85 CO -0.02 0.53 -0.45 1.25 0.00 0.00 0.00 179.25 180.56 3kac h LEU 86 N 1.16 0.56 -0.34 0.00 5.85 -0.50 -0.31 115.31 121.73 3kac h LEU 86 Ca 0.31 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3kac h LEU 86 Cb -0.08 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3kac h LEU 86 CO -0.06 0.93 0.08 -0.08 -0.34 0.00 0.00 178.44 178.97 3kac h GLU 87 N 0.42 0.55 -0.77 1.25 4.81 -1.27 0.13 114.58 119.71 3kac h GLU 87 Ca 0.03 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3kac h GLU 87 Cb 0.95 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 3kac h GLU 87 CO 0.08 0.60 0.50 -0.07 -0.73 0.00 0.00 179.01 179.39 3kac h LEU 88 N 0.40 0.89 0.04 1.64 3.38 -1.09 -1.34 115.31 119.23 3kac h LEU 88 Ca 0.11 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3kac h LEU 88 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3kac h LEU 88 CO 0.00 0.65 -0.07 0.40 0.09 0.00 0.00 178.44 179.52 3kac h ILE 89 N 1.04 0.84 -0.46 1.22 1.08 -0.82 -1.55 117.51 118.86 3kac h ILE 89 Ca 0.28 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.77 3kac h ILE 89 Cb -0.10 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 3kac h ILE 89 CO -0.06 0.00 0.31 0.78 -0.69 0.00 0.00 178.15 178.49 3kac h ASN 90 N -0.14 0.46 -0.31 1.72 2.35 -0.54 -0.65 115.58 118.47 3kac h ASN 90 Ca 0.01 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3kac h ASN 90 Cb 0.15 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3kac h ASN 90 CO -0.04 0.32 0.04 1.23 -1.65 0.00 0.00 177.43 177.33 3kac h GLY 91 N 0.54 0.55 1.17 2.83 0.00 -0.96 -2.34 103.07 104.86 3kac h GLY 91 Ca 0.18 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3kac h GLY 91 CO -0.04 0.35 0.29 -0.97 0.00 0.00 0.00 176.54 176.16 3kac h TYR 92 N 0.33 1.08 -0.63 5.60 0.05 -0.71 -2.63 116.97 120.06 3kac h TYR 92 Ca 0.09 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3kac h TYR 92 Cb 0.36 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 3kac h TYR 92 CO 0.03 0.82 0.36 0.82 -1.05 0.00 0.00 178.16 179.13 3kac h ILE 93 N 1.04 1.19 -0.44 -2.88 2.04 -1.04 -1.29 117.51 116.13 3kac h ILE 93 Ca 0.24 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 3kac h ILE 93 Cb 0.20 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3kac h ILE 93 CO -0.02 0.21 -0.01 -0.61 0.00 0.00 0.00 178.15 177.71 3kac h GLN 94 N 0.85 0.72 -0.31 2.37 5.75 -1.34 0.67 115.11 123.82 3kac h GLN 94 Ca 0.22 -0.19 -0.16 0.00 -0.15 0.00 0.00 58.65 58.37 3kac h GLN 94 Cb 0.02 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 3kac h GLN 94 CO -0.04 0.75 -0.44 0.87 -2.65 0.00 0.00 178.83 177.31 3kac h LYS 95 N 0.68 0.81 0.28 1.69 1.57 -1.18 0.35 116.57 120.76 3kac h LYS 95 Ca 0.13 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 3kac h LYS 95 Cb 0.44 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3kac h LYS 95 CO 0.02 1.08 -0.13 0.82 -0.57 0.00 0.00 179.45 180.67 3kac h ILE 96 N 0.65 0.76 -0.13 1.86 2.04 -0.99 -0.91 117.51 120.79 3kac h ILE 96 Ca 0.04 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 3kac h ILE 96 Cb 1.02 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 3kac h ILE 96 CO 0.10 0.08 -0.18 0.11 0.00 0.00 0.00 178.15 178.26 3kac h LYS 97 N -0.58 0.21 0.00 2.37 1.57 -0.87 -2.44 116.57 116.83 3kac h LYS 97 Ca -0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3kac h LYS 97 Cb 0.42 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3kac h LYS 97 CO 0.06 0.39 0.00 -1.13 -0.57 0.00 0.00 179.45 178.21 3kac n SER 98 N -4.24 0.30 0.00 0.86 3.41 0.11 -4.88 113.62 109.18 3kac n SER 98 Ca -0.01 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 3kac n SER 98 Cb 0.30 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 3kac n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kac n GLY 99 N 1.04 1.12 0.27 5.00 0.00 -0.92 -4.93 105.19 106.77 3kac n GLY 99 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.23 3kac n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kac h GLU 100 N 3.49 0.00 -2.96 1.61 4.81 -1.43 -3.44 114.58 116.66 3kac h GLU 100 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 3kac h GLU 100 Cb 0.00 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 29.18 3kac h GLU 100 CO 0.00 0.03 -0.24 -1.21 -0.73 0.00 0.00 179.01 176.87 3kac s GLU 101 N -3.63 0.71 0.18 1.92 0.41 -0.78 -5.01 118.70 112.50 3kac s GLU 101 Ca 0.02 -0.17 -0.30 0.00 -0.41 0.00 0.00 54.97 54.11 3kac s GLU 101 Cb 0.09 0.32 -0.08 0.00 -1.78 0.00 0.00 34.13 32.68 3kac s GLU 101 CO 0.57 -0.20 1.10 -0.51 -0.49 0.00 0.00 175.26 175.72 3kac s ASP 102 N -1.35 7.27 0.17 -0.19 1.01 -1.26 -3.98 116.67 118.34 3kac s ASP 102 Ca -0.13 2.08 -0.21 0.00 0.71 0.00 0.00 52.55 55.00 3kac s ASP 102 Cb -0.05 -2.60 0.09 0.00 1.01 0.00 0.00 42.92 41.37 3kac s ASP 102 CO 0.04 -0.22 1.60 0.15 0.21 0.00 0.00 175.17 176.96 3kac h PHE 103 N 5.11 -0.82 0.00 4.23 3.04 -1.96 -1.17 116.94 125.38 3kac h PHE 103 Ca -0.44 0.06 -0.13 0.00 3.98 0.00 0.00 57.97 61.44 3kac h PHE 103 Cb 1.21 0.43 -0.02 0.00 2.56 0.00 0.00 35.95 40.13 3kac h PHE 103 CO 0.63 -0.36 -0.61 1.05 -2.02 0.00 0.00 178.31 177.00 3kac h GLU 104 N -0.20 0.00 -0.46 1.11 9.09 -1.95 -1.22 114.58 120.95 3kac h GLU 104 Ca 0.20 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.55 3kac h GLU 104 Cb 0.52 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.61 3kac h GLU 104 CO -0.57 0.61 0.09 1.03 0.05 0.00 0.00 179.01 180.22 3kac h SER 105 N 0.00 0.73 -0.67 3.06 0.87 -1.78 -1.88 113.55 113.88 3kac h SER 105 Ca -0.01 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.24 3kac h SER 105 Cb 1.09 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.83 3kac h SER 105 CO 0.08 0.80 0.20 -0.07 -0.53 0.00 0.00 176.83 177.30 3kac h LEU 106 N 0.63 0.99 -0.62 2.23 3.38 -0.98 -2.52 115.31 118.43 3kac h LEU 106 Ca 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3kac h LEU 106 Cb 0.37 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3kac h LEU 106 CO 0.01 0.94 0.33 0.00 0.09 0.00 0.00 178.44 179.81 3kac h ALA 107 N 1.08 0.79 -0.37 1.53 0.00 -1.20 0.79 119.26 121.88 3kac h ALA 107 Ca 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kac h ALA 107 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3kac h ALA 107 CO -0.00 0.32 0.04 0.66 0.00 0.00 0.00 179.25 180.27 3kac h SER 108 N 0.84 0.52 0.39 0.00 4.64 -1.11 -1.32 113.55 117.52 3kac h SER 108 Ca 0.22 -0.09 -0.32 0.00 -0.47 0.00 0.00 61.79 61.13 3kac h SER 108 Cb 0.07 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3kac h SER 108 CO -0.03 0.56 -1.59 1.56 -0.87 0.00 0.00 176.83 176.46 3kac h GLN 109 N 0.55 0.28 0.00 4.77 4.20 -1.24 -3.43 115.11 120.24 3kac h GLN 109 Ca 0.12 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.35 3kac h GLN 109 Cb 0.28 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3kac h GLN 109 CO 0.00 1.15 0.00 1.19 -0.67 0.00 0.00 178.83 180.50 3kac n PHE 110 N -3.48 0.00 -2.64 2.96 3.72 0.25 -5.02 117.46 113.26 3kac n PHE 110 Ca -0.19 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.80 3kac n PHE 110 Cb 1.05 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.56 3kac n PHE 110 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kac s SER 111 N -0.58 7.34 0.00 4.37 0.15 -0.50 -4.80 113.70 119.68 3kac s SER 111 Ca 0.00 1.82 0.27 0.00 0.70 0.00 0.00 55.95 58.75 3kac s SER 111 Cb 0.00 -2.58 1.45 0.00 -1.71 0.00 0.00 66.02 63.18 3kac s SER 111 CO 0.00 -0.23 1.95 0.47 1.20 0.00 0.00 173.24 176.63 3kac n ASP 112 N 3.36 0.47 -4.80 5.45 8.00 0.11 -4.68 116.55 124.46 3kac n ASP 112 Ca 0.05 -1.26 -0.38 0.00 0.71 0.00 0.00 54.79 53.90 3kac n ASP 112 Cb 0.49 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.52 3kac n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kac h SER 114 N 4.26 0.00 0.12 0.00 4.64 -1.99 -1.32 113.55 119.26 3kac h SER 114 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3kac h SER 114 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3kac h SER 114 CO 0.65 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.07 3kac n SER 115 N -2.41 0.07 -0.36 4.97 3.41 -1.26 -2.44 113.62 115.61 3kac n SER 115 Ca -0.01 0.53 0.28 0.00 -0.26 0.00 0.00 58.87 59.41 3kac n SER 115 Cb 0.07 -0.54 0.58 0.00 -0.26 0.00 0.00 64.21 64.06 3kac n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kac h ALA 116 N 2.11 2.51 0.00 7.33 0.00 -1.48 0.64 119.26 130.37 3kac h ALA 116 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kac h ALA 116 Cb 0.06 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kac h ALA 116 CO 0.00 -0.96 -0.22 1.57 0.00 0.00 0.00 179.25 179.65 3kac h LYS 117 N 0.25 0.00 -0.77 0.00 2.10 -1.75 -1.33 116.57 115.08 3kac h LYS 117 Ca 0.65 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.26 3kac h LYS 117 Cb 1.90 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.21 3kac h LYS 117 CO -0.28 0.22 0.05 0.00 -2.00 0.00 0.00 179.45 177.44 3kac n ALA 118 N -2.20 3.51 -2.78 0.07 0.00 0.01 -4.90 120.51 114.22 3kac n ALA 118 Ca 0.01 -1.28 -0.21 0.00 0.00 0.00 0.00 53.44 51.95 3kac n ALA 118 Cb 0.45 -1.11 0.02 0.00 0.00 0.00 0.00 19.45 18.82 3kac n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kac n ARG 119 N 0.29 -3.68 -0.18 0.00 1.74 -0.50 -2.05 116.66 112.28 3kac n ARG 119 Ca 0.20 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 58.20 3kac n ARG 119 Cb 0.90 -5.65 0.00 0.00 -1.02 0.00 0.00 32.46 26.69 3kac n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kac n GLY 120 N -1.34 1.79 3.69 -0.13 0.00 -0.02 -4.66 105.19 104.52 3kac n GLY 120 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3kac n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kac s ASP 121 N -3.30 7.00 0.00 1.61 3.68 -0.87 -0.14 116.67 124.64 3kac s ASP 121 Ca 0.00 1.90 0.24 0.00 2.13 0.00 0.00 52.55 56.82 3kac s ASP 121 Cb 0.00 -2.56 0.28 0.00 -1.45 0.00 0.00 42.92 39.19 3kac s ASP 121 CO 0.00 -0.62 1.26 0.18 0.13 0.00 0.00 175.17 176.12 3kac n LEU 122 N 5.21 1.27 0.00 -1.34 4.77 -0.24 -4.81 117.00 121.85 3kac n LEU 122 Ca 0.11 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 3kac n LEU 122 Cb 0.45 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3kac n LEU 122 CO 0.56 0.25 -0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3kac n GLY 123 N 1.42 -1.85 3.84 -0.72 0.00 -1.25 -4.94 105.19 101.69 3kac n GLY 123 Ca 0.09 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 3kac n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kac s ALA 124 N -1.22 3.57 0.00 4.61 0.00 -1.26 -3.41 121.76 124.05 3kac s ALA 124 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 3kac s ALA 124 Cb 0.00 -2.54 -0.00 0.00 0.00 0.00 0.00 23.12 20.58 3kac s ALA 124 CO 0.00 0.45 0.11 -0.59 0.00 0.00 0.00 175.76 175.73 3kac s PHE 125 N -1.48 0.06 0.61 0.00 -0.71 0.00 -4.97 117.98 111.50 3kac s PHE 125 Ca 0.39 -0.16 0.02 0.00 -1.04 0.00 0.00 56.93 56.13 3kac s PHE 125 Cb -0.15 -0.06 0.07 0.00 -1.21 0.00 0.00 43.02 41.67 3kac s PHE 125 CO 0.19 -0.25 0.85 -1.12 -1.34 0.00 0.00 175.22 173.55 3kac s SER 126 N -1.27 4.94 0.41 1.98 0.01 -1.26 -1.54 113.70 116.97 3kac s SER 126 Ca -0.14 -0.23 -0.27 0.00 1.31 0.00 0.00 55.95 56.63 3kac s SER 126 Cb -0.07 -0.45 -0.10 0.00 0.21 0.00 0.00 66.02 65.61 3kac s SER 126 CO 0.01 -1.41 1.42 0.54 0.41 0.00 0.00 173.24 174.22 3kac n ARG 127 N -2.49 2.37 0.00 12.44 5.12 -1.26 -2.93 116.66 129.91 3kac n ARG 127 Ca 0.11 0.84 0.00 0.00 -1.93 0.00 0.00 57.85 56.87 3kac n ARG 127 Cb 0.60 -2.59 0.00 0.00 -1.16 0.00 0.00 32.46 29.31 3kac n ARG 127 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kac n GLY 128 N 0.57 2.61 0.20 -0.13 0.00 -1.26 -4.91 105.19 102.27 3kac n GLY 128 Ca 0.04 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.53 3kac n GLY 128 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kac h GLN 129 N 0.00 0.00 -6.14 1.61 4.20 -1.94 -3.45 115.11 109.39 3kac h GLN 129 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 3kac h GLN 129 Cb 0.00 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.70 3kac h GLN 129 CO 0.00 0.35 -0.58 -1.64 -0.67 0.00 0.00 178.83 176.29 3kac s MET 130 N -3.91 2.36 0.45 1.46 -1.94 -1.26 -5.08 119.30 111.38 3kac s MET 130 Ca -0.02 -1.48 -0.25 0.00 -1.71 0.00 0.00 55.69 52.24 3kac s MET 130 Cb 0.13 -2.18 -0.09 0.00 2.01 0.00 0.00 34.83 34.70 3kac s MET 130 CO 0.69 0.23 1.36 1.04 -0.01 0.00 0.00 175.02 178.33 3kac n GLN 131 N -1.04 2.09 -0.19 2.03 6.02 -1.26 -4.65 117.38 120.37 3kac n GLN 131 Ca -0.05 0.75 -0.03 0.00 -0.01 0.00 0.00 57.00 57.65 3kac n GLN 131 Cb 0.60 -2.53 0.03 0.00 1.02 0.00 0.00 30.24 29.36 3kac n GLN 131 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3kac h LYS 132 N 2.15 -0.10 -0.01 -1.09 3.11 -1.98 0.14 116.57 118.79 3kac h LYS 132 Ca -0.50 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.33 3kac h LYS 132 Cb 1.28 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.53 3kac h LYS 132 CO 0.60 -0.07 -0.11 -1.00 -2.81 0.00 0.00 179.45 176.06 3kac h PRO 133 N -0.11 0.01 0.01 1.90 0.13 -1.92 -0.52 132.00 131.50 3kac h PRO 133 Ca 0.26 -0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.16 3kac h PRO 133 Cb 0.52 -0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.66 3kac h PRO 133 CO -0.65 0.13 -0.87 0.35 -0.23 0.00 0.00 178.00 176.73 3kac h PHE 134 N 0.01 0.87 -0.03 1.56 3.04 -1.46 -2.27 116.94 118.67 3kac h PHE 134 Ca 0.00 -0.48 -0.00 0.00 3.98 0.00 0.00 57.97 61.47 3kac h PHE 134 Cb 0.21 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.62 3kac h PHE 134 CO 0.00 1.31 0.01 1.49 -2.02 0.00 0.00 178.31 179.10 3kac h GLU 135 N 0.19 0.05 -0.04 1.11 4.81 -0.72 -1.82 114.58 118.15 3kac h GLU 135 Ca -0.11 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3kac h GLU 135 Cb 1.55 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.87 3kac h GLU 135 CO 0.17 0.20 -0.29 -0.44 -0.73 0.00 0.00 179.01 177.93 3kac h ASP 136 N -0.12 -0.86 0.07 1.04 5.19 -1.17 -1.87 116.42 118.70 3kac h ASP 136 Ca 0.01 0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 3kac h ASP 136 Cb 0.17 0.36 -0.00 0.00 0.18 0.00 0.00 39.33 40.04 3kac h ASP 136 CO -0.00 -0.34 -0.06 0.00 -3.12 0.00 0.00 179.24 175.71 3kac h ALA 137 N 0.41 1.88 0.23 3.45 0.00 -1.32 -2.15 119.26 121.76 3kac h ALA 137 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kac h ALA 137 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kac h ALA 137 CO -0.27 0.08 -0.11 0.77 0.00 0.00 0.00 179.25 179.71 3kac h SER 138 N 0.00 -0.27 0.28 0.00 0.02 -0.92 -3.11 113.55 109.54 3kac h SER 138 Ca -0.00 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 3kac h SER 138 Cb 0.11 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 3kac h SER 138 CO 0.01 0.21 -0.03 -0.26 -1.14 0.00 0.00 176.83 175.62 3kac h PHE 139 N -0.85 0.00 -0.00 3.45 -1.00 -1.34 -2.41 116.94 114.78 3kac h PHE 139 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 3kac h PHE 139 Cb 0.51 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.07 3kac h PHE 139 CO 0.06 0.03 -0.14 0.00 -1.61 0.00 0.00 178.31 176.64 3kac n ALA 140 N -2.16 2.81 -2.12 2.45 0.00 -0.81 -4.83 120.51 115.85 3kac n ALA 140 Ca -0.02 -0.27 -0.35 0.00 0.00 0.00 0.00 53.44 52.80 3kac n ALA 140 Cb 0.15 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.23 3kac n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kac s LEU 141 N -2.56 4.26 0.62 0.00 1.43 -0.91 -5.08 118.68 116.44 3kac s LEU 141 Ca 0.26 1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 54.61 3kac s LEU 141 Cb 0.20 -3.72 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 3kac s LEU 141 CO 0.50 -0.04 1.02 -0.13 0.23 0.00 0.00 176.35 177.93 3kac s ARG 142 N -2.28 3.49 0.28 1.70 0.52 -1.26 -4.98 118.95 116.42 3kac s ARG 142 Ca 0.46 0.66 -0.29 0.00 -0.52 0.00 0.00 55.73 56.04 3kac s ARG 142 Cb -0.15 -2.10 -0.10 0.00 0.52 0.00 0.00 34.95 33.13 3kac s ARG 142 CO 0.20 -0.61 1.36 0.95 0.02 0.00 0.00 175.30 177.22 3kac s THR 143 N -3.17 2.78 0.00 0.02 -4.23 -1.26 -1.45 115.64 108.33 3kac s THR 143 Ca 0.55 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.76 3kac s THR 143 Cb -0.11 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.28 3kac s THR 143 CO 0.53 0.14 0.00 0.61 -0.54 0.00 0.00 174.62 175.36 3kac n GLY 144 N 1.57 2.46 3.84 3.99 0.00 0.41 -5.03 105.19 112.44 3kac n GLY 144 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3kac n GLY 144 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kac s GLU 145 N -0.28 4.02 -0.05 1.61 2.12 -0.52 -4.79 118.70 120.81 3kac s GLU 145 Ca 0.00 0.80 0.05 0.00 0.36 0.00 0.00 54.97 56.18 3kac s GLU 145 Cb 0.00 -2.31 -0.02 0.00 0.26 0.00 0.00 34.13 32.06 3kac s GLU 145 CO 0.00 0.01 -0.20 1.41 -0.54 0.00 0.00 175.26 175.94 3kac s MET 146 N -3.34 2.43 0.80 4.30 -2.45 -1.26 -0.94 119.30 118.84 3kac s MET 146 Ca 0.56 -0.81 -0.12 0.00 -1.25 0.00 0.00 55.69 54.07 3kac s MET 146 Cb -0.10 -2.24 0.07 0.00 1.25 0.00 0.00 34.83 33.82 3kac s MET 146 CO 0.20 0.54 1.16 -1.54 1.05 0.00 0.00 175.02 176.43 3kac s SER 147 N -0.53 4.56 0.12 1.11 1.04 -0.19 -4.99 113.70 114.82 3kac s SER 147 Ca 0.07 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.38 3kac s SER 147 Cb -0.11 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.58 3kac s SER 147 CO 0.01 -1.88 0.00 0.61 0.98 0.00 0.00 173.24 172.96 3kac n GLY 148 N -3.12 0.00 3.69 7.32 0.00 -1.26 -4.56 105.19 107.26 3kac n GLY 148 Ca 0.08 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 3kac n GLY 148 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kac n PRO 149 N -0.17 2.67 -4.11 1.61 -0.02 -1.26 -4.64 135.00 129.09 3kac n PRO 149 Ca 0.00 0.97 -0.34 0.00 -2.02 0.00 0.00 63.50 62.11 3kac n PRO 149 Cb 0.00 -2.85 -0.14 0.00 -0.02 0.00 0.00 33.50 30.49 3kac n PRO 149 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kac s VAL 150 N 2.54 3.16 -0.19 -1.45 1.01 -0.27 -4.95 120.40 120.26 3kac s VAL 150 Ca 0.82 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 3kac s VAL 150 Cb -0.52 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3kac s VAL 150 CO 0.38 0.46 0.34 -0.36 0.00 0.00 0.00 175.10 175.93 3kac s PHE 151 N 1.21 3.40 0.35 5.22 0.40 -1.26 -1.20 117.98 126.09 3kac s PHE 151 Ca 0.02 0.58 0.04 0.00 -0.60 0.00 0.00 56.93 56.97 3kac s PHE 151 Cb -0.14 -2.44 -0.03 0.00 0.51 0.00 0.00 43.02 40.91 3kac s PHE 151 CO -0.03 0.08 0.17 0.95 0.70 0.00 0.00 175.22 177.09 3kac s THR 152 N 1.01 0.36 0.51 0.64 -4.23 0.46 -4.81 115.64 109.59 3kac s THR 152 Ca 0.17 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.93 3kac s THR 152 Cb -0.14 -2.46 0.41 0.00 1.34 0.00 0.00 72.50 71.65 3kac s THR 152 CO 0.06 0.00 1.96 -0.78 -0.54 0.00 0.00 174.62 175.32 3kac h ASP 153 N 2.05 0.07 1.24 3.99 -0.00 -1.98 -2.25 116.42 119.55 3kac h ASP 153 Ca -0.32 0.00 -0.14 0.00 -0.00 0.00 0.00 57.03 56.57 3kac h ASP 153 Cb 1.25 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 40.55 3kac h ASP 153 CO 0.50 0.04 -0.78 0.28 -0.00 0.00 0.00 179.24 179.28 3kac h SER 154 N 0.07 0.00 0.00 2.28 0.02 -1.94 0.21 113.55 114.19 3kac h SER 154 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3kac h SER 154 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3kac h SER 154 CO -0.03 0.63 0.00 0.61 -1.14 0.00 0.00 176.83 176.90 3kac n GLY 155 N 1.29 0.27 3.45 -3.77 0.00 -0.85 -4.57 105.19 101.00 3kac n GLY 155 Ca -0.01 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 3kac n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kac s ILE 156 N -3.95 3.43 0.18 -0.61 1.01 -0.39 -0.41 121.20 120.46 3kac s ILE 156 Ca 0.00 -0.54 0.11 0.00 0.00 0.00 0.00 60.65 60.22 3kac s ILE 156 Cb 0.00 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 3kac s ILE 156 CO 0.00 0.53 -0.23 -1.00 0.00 0.00 0.00 174.94 174.23 3kac s HIS 157 N 0.15 2.33 -0.08 3.97 3.76 -0.34 -0.25 115.29 124.84 3kac s HIS 157 Ca -0.04 -0.35 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 3kac s HIS 157 Cb -0.14 -1.18 -0.03 0.00 1.11 0.00 0.00 32.58 32.34 3kac s HIS 157 CO 0.04 0.47 -0.08 0.42 -0.85 0.00 0.00 174.74 174.74 3kac s ILE 158 N -1.55 3.59 -0.07 0.60 1.01 -0.25 -1.11 121.20 123.42 3kac s ILE 158 Ca 0.20 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.38 3kac s ILE 158 Cb -0.08 -2.47 -0.00 0.00 0.01 0.00 0.00 42.46 39.91 3kac s ILE 158 CO 0.10 0.58 -0.22 -0.63 0.00 0.00 0.00 174.94 174.77 3kac s ILE 159 N -0.60 1.88 -0.21 2.92 1.01 -1.26 -1.20 121.20 123.73 3kac s ILE 159 Ca 0.09 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 3kac s ILE 159 Cb -0.12 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.75 3kac s ILE 159 CO 0.02 0.52 -0.10 -0.22 0.00 0.00 0.00 174.94 175.16 3kac s LEU 160 N 0.16 2.73 -0.26 2.97 2.96 0.02 -1.02 118.68 126.24 3kac s LEU 160 Ca -0.11 -0.61 -0.28 0.00 -0.22 0.00 0.00 54.13 52.91 3kac s LEU 160 Cb -0.15 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.91 3kac s LEU 160 CO 0.06 -0.04 1.00 -0.60 -1.32 0.00 0.00 176.35 175.44 3kac s ARG 161 N 1.37 4.17 -0.07 1.98 3.52 -0.12 -1.18 118.95 128.63 3kac s ARG 161 Ca 0.04 1.16 0.19 0.00 -0.13 0.00 0.00 55.73 56.98 3kac s ARG 161 Cb -0.15 -3.67 -0.24 0.00 -1.56 0.00 0.00 34.95 29.33 3kac s ARG 161 CO -0.07 -0.69 0.42 0.25 -0.81 0.00 0.00 175.30 174.40 3kac n THR 162 N 5.48 0.95 -1.37 4.11 -2.24 0.13 -0.44 114.28 120.90 3kac n THR 162 Ca 0.10 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3kac n THR 162 Cb 0.47 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3kac n THR 162 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71