#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0n s PHE 61 N 0.00 3.13 -0.00 -2.67 5.36 -1.26 -2.40 117.98 120.14 1x0n s PHE 61 Ca 0.00 0.07 0.03 0.00 -0.96 0.00 0.00 56.93 56.07 1x0n s PHE 61 Cb 0.00 -1.62 -0.01 0.00 -0.34 0.00 0.00 43.02 41.05 1x0n s PHE 61 CO 0.00 0.51 -0.09 -0.06 -1.46 0.00 0.00 175.22 174.12 1x0n s PHE 62 N -1.30 0.79 -0.21 10.12 0.40 0.45 -4.96 117.98 123.28 1x0n s PHE 62 Ca 0.26 -0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.31 1x0n s PHE 62 Cb -0.12 -0.51 -0.05 0.00 0.51 0.00 0.00 43.02 42.85 1x0n s PHE 62 CO 0.18 -0.01 0.19 0.20 0.70 0.00 0.00 175.22 176.48 1x0n s GLY 63 N -0.27 2.04 -0.09 4.36 0.00 -1.26 -2.32 107.32 109.77 1x0n s GLY 63 Ca 0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 44.72 44.00 1x0n s GLY 63 CO -0.00 0.35 0.03 0.28 0.00 0.00 0.00 173.10 173.76 1x0n n LYS 64 N 3.95 -1.08 -3.72 2.90 4.76 -1.23 -4.92 118.16 118.82 1x0n n LYS 64 Ca -0.14 1.26 -0.18 0.00 -2.87 0.00 0.00 58.31 56.38 1x0n n LYS 64 Cb 0.52 -2.07 -0.17 0.00 -1.84 0.00 0.00 35.03 31.47 1x0n n LYS 64 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1x0n s ILE 65 N -1.18 -0.08 0.40 -0.18 -5.25 -1.26 -5.03 121.20 108.61 1x0n s ILE 65 Ca 0.02 0.33 -0.25 0.00 -0.99 0.00 0.00 60.65 59.75 1x0n s ILE 65 Cb -0.00 -0.12 -0.09 0.00 2.95 0.00 0.00 42.46 45.20 1x0n s ILE 65 CO 0.22 0.14 1.19 -2.16 -1.79 0.00 0.00 174.94 172.54 1x0n s PRO 66 N 1.67 4.06 0.20 0.37 0.04 -1.26 -4.76 135.00 135.32 1x0n s PRO 66 Ca -0.01 1.89 0.01 0.00 0.04 0.00 0.00 61.00 62.93 1x0n s PRO 66 Cb -0.12 -2.71 0.51 0.00 0.04 0.00 0.00 34.50 32.21 1x0n s PRO 66 CO -0.03 -0.33 1.03 0.54 0.04 0.00 0.00 177.00 178.25 1x0n n ARG 67 N 0.12 -0.05 0.03 4.56 5.12 -1.26 0.15 116.66 125.33 1x0n n ARG 67 Ca 0.04 0.98 -0.10 0.00 -1.93 0.00 0.00 57.85 56.84 1x0n n ARG 67 Cb 0.46 -1.56 -0.04 0.00 -1.16 0.00 0.00 32.46 30.16 1x0n n ARG 67 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x0n h ALA 68 N 1.31 -0.22 -0.28 7.54 0.00 -1.99 0.41 119.26 126.04 1x0n h ALA 68 Ca 0.40 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.40 1x0n h ALA 68 Cb 0.83 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1x0n h ALA 68 CO -0.62 -0.69 -0.24 -0.22 0.00 0.00 0.00 179.25 177.48 1x0n h LYS 69 N -0.30 -0.22 0.05 0.00 1.63 0.11 0.50 116.57 118.34 1x0n h LYS 69 Ca 0.08 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1x0n h LYS 69 Cb 0.42 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 1x0n h LYS 69 CO -0.24 -0.15 -0.13 0.00 -3.45 0.00 0.00 179.45 175.47 1x0n h ALA 70 N 0.84 -0.20 -0.62 5.00 0.00 -1.08 0.14 119.26 123.34 1x0n h ALA 70 Ca 0.15 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.19 1x0n h ALA 70 Cb 0.46 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1x0n h ALA 70 CO -0.41 -0.64 0.43 0.93 0.00 0.00 0.00 179.25 179.56 1x0n h GLU 71 N -0.25 0.22 -0.02 0.00 5.08 -0.36 -1.59 114.58 117.66 1x0n h GLU 71 Ca 0.03 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1x0n h GLU 71 Cb 0.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1x0n h GLU 71 CO -0.09 0.15 -0.24 0.93 -1.00 0.00 0.00 179.01 178.75 1x0n h GLU 72 N 0.23 0.20 -0.79 2.33 4.39 0.02 0.50 114.58 121.46 1x0n h GLU 72 Ca 0.30 -0.19 0.11 0.00 0.34 0.00 0.00 59.36 59.93 1x0n h GLU 72 Cb 0.86 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.50 1x0n h GLU 72 CO -0.06 0.88 0.52 0.52 -1.16 0.00 0.00 179.01 179.71 1x0n h MET 73 N -0.41 0.63 0.00 2.33 2.86 -0.10 0.13 114.93 120.38 1x0n h MET 73 Ca -0.02 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1x0n h MET 73 Cb 0.95 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 1x0n h MET 73 CO 0.05 0.42 -0.29 -0.07 1.06 0.00 0.00 176.91 178.07 1x0n h LEU 74 N 0.65 0.00 -1.14 1.22 3.38 -1.36 -3.30 115.31 114.76 1x0n h LEU 74 Ca 0.38 -0.74 0.17 0.00 0.09 0.00 0.00 57.88 57.77 1x0n h LEU 74 Cb 0.58 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 1x0n h LEU 74 CO -0.15 1.04 0.61 -1.28 0.09 0.00 0.00 178.44 178.75 1x0n h SER 75 N -1.00 0.73 0.14 -0.43 0.87 -0.64 0.30 113.55 113.52 1x0n h SER 75 Ca -0.08 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1x0n h SER 75 Cb 0.93 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1x0n h SER 75 CO -0.05 0.32 -0.11 0.07 -0.53 0.00 0.00 176.83 176.53 1x0n h LYS 76 N 0.74 0.00 -7.15 2.24 2.10 -0.86 -3.44 116.57 110.20 1x0n h LYS 76 Ca 0.52 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 58.73 1x0n h LYS 76 Cb 0.83 0.00 0.21 0.00 -0.90 0.00 0.00 32.23 32.37 1x0n h LYS 76 CO -0.29 0.11 0.02 -0.65 -2.00 0.00 0.00 179.45 176.65 1x0n s GLN 77 N -4.69 -0.82 -0.07 0.07 -1.52 0.10 -4.99 119.66 107.74 1x0n s GLN 77 Ca -0.04 0.92 0.05 0.00 -1.95 0.00 0.00 55.36 54.33 1x0n s GLN 77 Cb 0.16 -1.56 -0.08 0.00 -0.22 0.00 0.00 33.01 31.31 1x0n s GLN 77 CO 0.66 -3.68 -0.00 0.54 -0.25 0.00 0.00 175.29 172.56 1x0n n ARG 78 N -4.90 2.25 -0.21 2.91 5.12 -1.26 -5.04 116.66 115.53 1x0n n ARG 78 Ca 0.04 0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.88 1x0n n ARG 78 Cb 0.54 -1.17 0.08 0.00 -1.16 0.00 0.00 32.46 30.75 1x0n n ARG 78 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1x0n n HIS 79 N -2.37 -2.97 -3.89 -1.55 8.25 -1.26 -5.04 115.22 106.39 1x0n n HIS 79 Ca -0.12 -0.27 -0.29 0.00 -0.26 0.00 0.00 57.72 56.78 1x0n n HIS 79 Cb 0.70 -0.34 -0.16 0.00 1.12 0.00 0.00 29.99 31.31 1x0n n HIS 79 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1x0n s ASP 80 N -2.35 3.41 0.00 0.41 1.01 -1.26 -4.74 116.67 113.15 1x0n s ASP 80 Ca 0.20 -0.97 0.00 0.00 0.71 0.00 0.00 52.55 52.49 1x0n s ASP 80 Cb -0.03 -1.01 0.00 0.00 1.01 0.00 0.00 42.92 42.89 1x0n s ASP 80 CO 0.16 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 175.92 1x0n n GLY 81 N 4.79 1.90 3.69 0.21 0.00 -1.25 -4.67 105.19 109.86 1x0n n GLY 81 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1x0n n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x0n n ALA 82 N -0.25 2.19 -2.58 4.61 0.00 -1.26 -0.37 120.51 122.86 1x0n n ALA 82 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.48 1x0n n ALA 82 Cb 0.00 -2.55 -0.10 0.00 0.00 0.00 0.00 19.45 16.80 1x0n n ALA 82 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1x0n s PHE 83 N 2.26 2.77 -0.23 0.00 -0.71 -1.15 -0.96 117.98 119.95 1x0n s PHE 83 Ca 0.81 -0.13 -0.08 0.00 -1.04 0.00 0.00 56.93 56.48 1x0n s PHE 83 Cb -0.52 -1.48 0.10 0.00 -1.21 0.00 0.00 43.02 39.91 1x0n s PHE 83 CO 0.37 0.40 0.49 -1.17 -1.34 0.00 0.00 175.22 173.97 1x0n s LEU 84 N -1.97 -0.78 -0.20 -1.99 0.20 -0.46 -4.34 118.68 109.13 1x0n s LEU 84 Ca 0.20 1.17 -0.12 0.00 0.69 0.00 0.00 54.13 56.07 1x0n s LEU 84 Cb -0.11 1.64 -0.05 0.00 -0.43 0.00 0.00 46.19 47.24 1x0n s LEU 84 CO 0.12 -0.23 0.21 -0.63 -0.29 0.00 0.00 176.35 175.53 1x0n s ILE 85 N 2.66 5.35 0.32 6.68 1.01 -1.01 -0.63 121.20 135.58 1x0n s ILE 85 Ca -0.03 0.34 0.10 0.00 0.00 0.00 0.00 60.65 61.05 1x0n s ILE 85 Cb -0.12 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 1x0n s ILE 85 CO -0.15 0.38 -0.04 0.00 0.00 0.00 0.00 174.94 175.14 1x0n s ARG 86 N 0.66 2.01 -0.14 2.79 3.03 0.00 -0.41 118.95 126.89 1x0n s ARG 86 Ca 0.11 -1.74 -0.04 0.00 2.03 0.00 0.00 55.73 56.10 1x0n s ARG 86 Cb -0.13 -1.90 -0.03 0.00 -1.03 0.00 0.00 34.95 31.86 1x0n s ARG 86 CO 0.02 0.20 -0.01 -2.00 -1.13 0.00 0.00 175.30 172.37 1x0n s GLU 87 N -3.66 3.56 0.19 3.89 2.12 -0.98 -2.10 118.70 121.72 1x0n s GLU 87 Ca 0.33 -0.47 -0.32 0.00 0.36 0.00 0.00 54.97 54.88 1x0n s GLU 87 Cb -0.01 -2.93 -0.11 0.00 0.26 0.00 0.00 34.13 31.33 1x0n s GLU 87 CO 0.18 0.35 1.68 0.45 -0.54 0.00 0.00 175.26 177.39 1x0n s SER 88 N 0.07 6.44 0.15 -1.70 0.15 -1.12 -3.54 113.70 114.15 1x0n s SER 88 Ca 0.01 2.79 -0.10 0.00 0.70 0.00 0.00 55.95 59.36 1x0n s SER 88 Cb -0.13 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.56 1x0n s SER 88 CO 0.02 -0.93 1.47 1.05 1.20 0.00 0.00 173.24 176.05 1x0n h GLU 89 N 6.82 0.88 0.00 5.44 4.11 -1.96 -3.02 114.58 126.84 1x0n h GLU 89 Ca -0.43 -0.49 0.00 0.00 0.07 0.00 0.00 59.36 58.51 1x0n h GLU 89 Cb 1.20 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1x0n h GLU 89 CO 0.95 1.13 -0.45 -1.13 0.07 0.00 0.00 179.01 179.58 1x0n n SER 90 N -4.04 0.45 -3.70 3.06 3.41 -1.26 -4.60 113.62 106.94 1x0n n SER 90 Ca -0.03 -0.13 -0.30 0.00 -0.26 0.00 0.00 58.87 58.16 1x0n n SER 90 Cb 0.57 0.15 -0.14 0.00 -0.26 0.00 0.00 64.21 64.53 1x0n n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x0n s ALA 91 N -3.01 1.87 0.01 7.33 0.00 -1.14 -5.11 121.76 121.71 1x0n s ALA 91 Ca 0.11 -2.24 -0.30 0.00 0.00 0.00 0.00 51.96 49.53 1x0n s ALA 91 Cb 0.17 -1.78 -0.06 0.00 0.00 0.00 0.00 23.12 21.45 1x0n s ALA 91 CO 0.68 -1.94 1.43 -1.25 0.00 0.00 0.00 175.76 174.69 1x0n s PRO 92 N 0.83 4.27 0.00 0.00 0.04 -1.24 -2.78 135.00 136.11 1x0n s PRO 92 Ca 0.15 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1x0n s PRO 92 Cb -0.22 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1x0n s PRO 92 CO -0.08 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.78 1x0n n GLY 93 N 3.68 2.92 3.67 0.56 0.00 -1.26 -5.05 105.19 109.72 1x0n n GLY 93 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1x0n n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x0n s ASP 94 N -0.44 6.86 -0.08 1.61 2.15 -1.12 -5.01 116.67 120.64 1x0n s ASP 94 Ca 0.00 1.97 -0.04 0.00 0.43 0.00 0.00 52.55 54.91 1x0n s ASP 94 Cb 0.00 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 40.03 1x0n s ASP 94 CO 0.00 -0.76 0.10 -0.36 -0.17 0.00 0.00 175.17 173.98 1x0n s PHE 95 N 3.08 3.43 -0.07 -5.34 0.08 -1.26 -2.80 117.98 115.11 1x0n s PHE 95 Ca 0.62 0.38 -0.03 0.00 0.12 0.00 0.00 56.93 58.02 1x0n s PHE 95 Cb -0.28 -1.86 0.04 0.00 -0.57 0.00 0.00 43.02 40.35 1x0n s PHE 95 CO 0.23 0.63 0.13 -1.54 -0.10 0.00 0.00 175.22 174.57 1x0n s SER 96 N -1.18 0.79 0.29 1.36 1.04 -0.89 -2.67 113.70 112.44 1x0n s SER 96 Ca 0.17 0.25 -0.12 0.00 0.48 0.00 0.00 55.95 56.73 1x0n s SER 96 Cb -0.12 0.14 -0.08 0.00 0.10 0.00 0.00 66.02 66.07 1x0n s SER 96 CO 0.06 -0.24 0.66 -0.22 0.98 0.00 0.00 173.24 174.49 1x0n s LEU 97 N 2.16 4.09 -0.22 2.42 2.96 -0.92 -0.82 118.68 128.34 1x0n s LEU 97 Ca 0.03 1.12 -0.05 0.00 -0.22 0.00 0.00 54.13 55.01 1x0n s LEU 97 Cb -0.12 -3.91 0.08 0.00 0.50 0.00 0.00 46.19 42.73 1x0n s LEU 97 CO -0.05 -0.17 0.11 -0.55 -1.32 0.00 0.00 176.35 174.37 1x0n s SER 98 N -2.39 2.82 0.07 3.68 0.15 0.19 -0.76 113.70 117.47 1x0n s SER 98 Ca 0.51 -0.88 -0.01 0.00 0.70 0.00 0.00 55.95 56.26 1x0n s SER 98 Cb -0.11 -0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 1x0n s SER 98 CO 0.20 -0.39 0.25 -0.69 1.20 0.00 0.00 173.24 173.81 1x0n s VAL 99 N 2.12 5.34 -0.10 4.45 1.01 0.44 -1.36 120.40 132.30 1x0n s VAL 99 Ca 0.05 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 1x0n s VAL 99 Cb -0.16 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1x0n s VAL 99 CO -0.20 0.14 0.40 -0.75 0.00 0.00 0.00 175.10 174.68 1x0n s LYS 100 N -2.48 4.18 -0.36 2.72 2.20 -0.14 -0.83 119.74 125.03 1x0n s LYS 100 Ca 0.36 0.32 -0.00 0.00 -0.36 0.00 0.00 55.97 56.29 1x0n s LYS 100 Cb -0.13 -3.37 0.12 0.00 -1.51 0.00 0.00 37.83 32.95 1x0n s LYS 100 CO 0.26 0.35 0.17 -0.06 -0.36 0.00 0.00 175.35 175.71 1x0n s PHE 101 N 0.06 1.39 0.00 4.03 0.08 -0.18 -3.74 117.98 119.62 1x0n s PHE 101 Ca 0.22 -1.83 0.00 0.00 0.12 0.00 0.00 56.93 55.44 1x0n s PHE 101 Cb -0.15 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 1x0n s PHE 101 CO 0.09 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 174.79 1x0n n GLY 102 N 4.28 0.89 0.98 4.36 0.00 -1.26 -0.40 105.19 114.05 1x0n n GLY 102 Ca 0.04 0.55 0.01 0.00 0.00 0.00 0.00 46.02 46.62 1x0n n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x0n n ASN 103 N 9.17 2.79 -3.67 1.61 2.85 -1.26 -4.94 115.26 121.81 1x0n n ASN 103 Ca 0.00 -3.54 -0.15 0.00 -0.11 0.00 0.00 54.58 50.78 1x0n n ASN 103 Cb 0.00 -0.59 -0.14 0.00 1.24 0.00 0.00 39.78 40.28 1x0n n ASN 103 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1x0n s ASP 104 N -2.44 0.47 -0.50 1.20 1.01 0.47 -5.12 116.67 111.76 1x0n s ASP 104 Ca 0.43 0.45 -0.20 0.00 0.71 0.00 0.00 52.55 53.93 1x0n s ASP 104 Cb 0.38 0.45 0.05 0.00 1.01 0.00 0.00 42.92 44.81 1x0n s ASP 104 CO 0.02 -0.23 0.69 -0.69 0.21 0.00 0.00 175.17 175.16 1x0n s VAL 105 N 2.21 4.77 0.61 -1.27 1.01 -1.26 -1.01 120.40 125.46 1x0n s VAL 105 Ca 0.01 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1x0n s VAL 105 Cb -0.12 -4.32 0.07 0.00 0.00 0.00 0.00 36.38 32.02 1x0n s VAL 105 CO -0.07 -0.81 0.85 -1.10 0.00 0.00 0.00 175.10 173.97 1x0n s GLN 106 N 2.92 2.21 0.21 2.72 -1.52 -0.01 -4.92 119.66 121.26 1x0n s GLN 106 Ca 0.20 -1.02 -0.18 0.00 -1.95 0.00 0.00 55.36 52.41 1x0n s GLN 106 Cb -0.17 -2.46 0.03 0.00 -0.22 0.00 0.00 33.01 30.19 1x0n s GLN 106 CO 0.15 -0.98 0.54 -3.38 -0.25 0.00 0.00 175.29 171.38 1x0n s HIS 107 N -2.87 -0.11 -0.05 0.91 -3.43 -1.26 -0.42 115.29 108.06 1x0n s HIS 107 Ca 0.61 -0.24 0.01 0.00 -0.80 0.00 0.00 55.06 54.64 1x0n s HIS 107 Cb -0.08 0.42 0.02 0.00 -1.43 0.00 0.00 32.58 31.51 1x0n s HIS 107 CO 0.40 -0.96 -0.08 -0.06 -2.00 0.00 0.00 174.74 172.05 1x0n s PHE 108 N -3.88 1.06 -0.36 0.38 0.40 0.06 -4.95 117.98 110.68 1x0n s PHE 108 Ca 0.10 -0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 55.78 1x0n s PHE 108 Cb -0.02 -0.85 0.01 0.00 0.51 0.00 0.00 43.02 42.68 1x0n s PHE 108 CO -0.01 -0.24 1.29 0.15 0.70 0.00 0.00 175.22 177.12 1x0n s LYS 109 N 0.84 3.79 -0.01 0.44 -0.14 -1.26 -2.18 119.74 121.22 1x0n s LYS 109 Ca -0.12 1.03 -0.27 0.00 -1.36 0.00 0.00 55.97 55.25 1x0n s LYS 109 Cb -0.15 -3.92 -0.04 0.00 -1.68 0.00 0.00 37.83 32.05 1x0n s LYS 109 CO 0.01 -1.28 0.87 0.08 -0.76 0.00 0.00 175.35 174.27 1x0n s VAL 110 N 4.66 4.90 0.05 3.17 1.01 -1.09 -4.85 120.40 128.26 1x0n s VAL 110 Ca 0.56 1.83 0.06 0.00 0.00 0.00 0.00 61.98 64.43 1x0n s VAL 110 Cb -0.14 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1x0n s VAL 110 CO 0.27 0.21 -0.13 -0.76 0.00 0.00 0.00 175.10 174.69 1x0n s LEU 111 N 0.82 2.89 0.08 3.92 1.02 -0.85 -4.55 118.68 122.00 1x0n s LEU 111 Ca 0.46 -0.34 -0.08 0.00 0.02 0.00 0.00 54.13 54.19 1x0n s LEU 111 Cb -0.20 -1.69 -0.01 0.00 0.02 0.00 0.00 46.19 44.32 1x0n s LEU 111 CO 0.24 0.24 0.16 0.00 0.02 0.00 0.00 176.35 177.02 1x0n s ARG 112 N -1.68 0.79 0.40 1.70 1.70 -1.26 -1.00 118.95 119.60 1x0n s ARG 112 Ca 0.17 -0.93 0.04 0.00 -0.47 0.00 0.00 55.73 54.55 1x0n s ARG 112 Cb -0.11 0.32 0.07 0.00 -0.57 0.00 0.00 34.95 34.66 1x0n s ARG 112 CO 0.08 -0.24 0.55 -3.47 -1.08 0.00 0.00 175.30 171.15 1x0n n ASP 113 N 0.10 1.20 -1.45 -2.89 2.03 -1.10 -4.97 116.55 109.46 1x0n n ASP 113 Ca -0.16 -1.90 -0.06 0.00 0.52 0.00 0.00 54.79 53.19 1x0n n ASP 113 Cb 0.62 -0.32 0.03 0.00 -0.72 0.00 0.00 41.12 40.73 1x0n n ASP 113 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x0n n GLY 114 N 0.35 2.84 0.82 0.27 0.00 -1.26 -3.74 105.19 104.48 1x0n n GLY 114 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1x0n n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x0n n ALA 115 N 0.56 2.54 0.00 4.61 0.00 -1.26 -5.06 120.51 121.90 1x0n n ALA 115 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1x0n n ALA 115 Cb 0.64 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.34 1x0n n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x0n n GLY 116 N 2.34 0.47 3.46 0.00 0.00 -1.24 -5.15 105.19 105.07 1x0n n GLY 116 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1x0n n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0n s LYS 117 N 0.00 3.03 0.23 1.61 3.01 -1.26 -4.56 119.74 121.80 1x0n s LYS 117 Ca 0.00 -0.64 0.05 0.00 -1.01 0.00 0.00 55.97 54.37 1x0n s LYS 117 Cb 0.00 -2.58 -0.03 0.00 -1.01 0.00 0.00 37.83 34.21 1x0n s LYS 117 CO 0.00 0.43 0.32 0.71 0.51 0.00 0.00 175.35 177.32 1x0n s TYR 118 N -0.21 3.38 -0.17 3.18 2.02 -0.87 -2.70 117.35 121.98 1x0n s TYR 118 Ca 0.01 -0.03 -0.30 0.00 -0.37 0.00 0.00 57.07 56.38 1x0n s TYR 118 Cb -0.13 -1.54 0.14 0.00 -0.40 0.00 0.00 41.96 40.02 1x0n s TYR 118 CO 0.03 0.46 1.08 -0.59 -1.57 0.00 0.00 175.55 174.96 1x0n s PHE 119 N -1.99 -0.28 0.00 2.71 -0.12 -0.17 -0.42 117.98 117.71 1x0n s PHE 119 Ca 0.34 0.43 0.00 0.00 -0.05 0.00 0.00 56.93 57.65 1x0n s PHE 119 Cb -0.09 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 1x0n s PHE 119 CO 0.28 -0.29 0.00 1.28 -0.05 0.00 0.00 175.22 176.45 1x0n n LEU 120 N 0.53 0.00 -4.46 -1.99 4.32 -1.00 -2.01 117.00 112.39 1x0n n LEU 120 Ca -0.07 0.00 -0.44 0.00 -0.02 0.00 0.00 56.01 55.48 1x0n n LEU 120 Cb 0.58 0.02 -0.03 0.00 -1.62 0.00 0.00 43.42 42.38 1x0n n LEU 120 CO 0.13 -0.05 1.00 0.26 -1.22 0.00 0.00 177.39 177.52 1x0n s TRP 121 N -0.09 3.08 -0.40 -1.77 0.52 -1.26 -4.54 118.94 114.48 1x0n s TRP 121 Ca 0.00 -1.35 -0.05 0.00 0.02 0.00 0.00 56.10 54.72 1x0n s TRP 121 Cb 0.00 -4.30 0.05 0.00 -1.15 0.00 0.00 33.47 28.07 1x0n s TRP 121 CO 0.00 -1.51 0.13 1.33 0.02 0.00 0.00 176.95 176.91 1x0n n VAL 122 N 5.58 0.00 -4.04 4.03 0.24 -1.26 -4.82 118.33 118.05 1x0n n VAL 122 Ca 0.24 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.42 1x0n n VAL 122 Cb 0.49 -0.11 -0.12 0.00 -1.47 0.00 0.00 33.84 32.64 1x0n n VAL 122 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1x0n s VAL 123 N -1.76 0.38 0.24 3.34 0.11 -1.26 -5.17 120.40 116.28 1x0n s VAL 123 Ca 0.18 -0.84 0.07 0.00 -2.93 0.00 0.00 61.98 58.46 1x0n s VAL 123 Cb -0.10 -0.44 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1x0n s VAL 123 CO 0.22 -0.31 -0.10 -0.54 -3.33 0.00 0.00 175.10 171.04 1x0n s LYS 124 N -1.24 1.44 0.38 1.54 1.02 -1.26 -2.39 119.74 119.24 1x0n s LYS 124 Ca -0.09 -1.69 -0.11 0.00 0.02 0.00 0.00 55.97 54.10 1x0n s LYS 124 Cb -0.08 -1.13 0.04 0.00 -0.52 0.00 0.00 37.83 36.14 1x0n s LYS 124 CO -0.00 0.10 0.70 -0.06 -0.92 0.00 0.00 175.35 175.17 1x0n s PHE 125 N -3.00 0.44 -0.14 3.18 0.08 0.44 -4.95 117.98 114.03 1x0n s PHE 125 Ca 0.26 -0.98 0.08 0.00 0.12 0.00 0.00 56.93 56.41 1x0n s PHE 125 Cb 0.02 0.55 -0.23 0.00 -0.57 0.00 0.00 43.02 42.79 1x0n s PHE 125 CO 0.10 -1.46 0.28 0.09 -0.10 0.00 0.00 175.22 174.13 1x0n n ASN 126 N -1.48 1.13 -2.41 1.36 3.02 -1.26 -2.05 115.26 113.57 1x0n n ASN 126 Ca -0.06 0.16 -0.12 0.00 -0.03 0.00 0.00 54.58 54.54 1x0n n ASN 126 Cb 0.60 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.70 1x0n n ASN 126 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1x0n n SER 127 N -3.11 -0.63 -0.01 6.41 7.64 -1.26 -4.49 113.62 118.17 1x0n n SER 127 Ca -0.30 -2.37 -0.16 0.00 1.01 0.00 0.00 58.87 57.05 1x0n n SER 127 Cb 1.07 1.32 -0.10 0.00 -1.01 0.00 0.00 64.21 65.49 1x0n n SER 127 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1x0n h LEU 128 N 0.00 0.50 -0.67 -3.43 3.38 -1.96 -3.26 115.31 109.87 1x0n h LEU 128 Ca -0.16 -0.71 0.14 0.00 0.09 0.00 0.00 57.88 57.24 1x0n h LEU 128 Cb 0.79 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.27 1x0n h LEU 128 CO 0.23 1.13 -0.05 -0.55 0.09 0.00 0.00 178.44 179.29 1x0n h ASN 129 N -0.09 -0.41 0.10 -0.43 7.08 -1.99 0.84 115.58 120.69 1x0n h ASN 129 Ca -0.05 0.18 -0.00 0.00 -3.08 0.00 0.00 56.30 53.35 1x0n h ASN 129 Cb 1.17 0.34 -0.00 0.00 -2.08 0.00 0.00 38.32 37.75 1x0n h ASN 129 CO 0.10 -0.17 -0.02 -0.33 -2.08 0.00 0.00 177.43 174.93 1x0n h GLU 130 N 0.07 0.00 0.04 4.14 4.39 -1.99 -2.04 114.58 119.19 1x0n h GLU 130 Ca 0.35 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.05 1x0n h GLU 130 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1x0n h GLU 130 CO -0.62 0.02 -0.02 1.25 -1.16 0.00 0.00 179.01 178.48 1x0n h LEU 131 N 0.00 -0.04 -2.00 1.33 5.85 0.61 -2.75 115.31 118.31 1x0n h LEU 131 Ca -0.00 -0.17 0.17 0.00 0.84 0.00 0.00 57.88 58.72 1x0n h LEU 131 Cb 0.08 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1x0n h LEU 131 CO 0.00 0.53 0.45 -0.37 -0.34 0.00 0.00 178.44 178.72 1x0n h VAL 132 N -1.01 0.59 0.30 1.05 -1.51 -1.00 -2.35 116.25 112.32 1x0n h VAL 132 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.45 1x0n h VAL 132 Cb 0.21 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.04 1x0n h VAL 132 CO 0.01 0.00 -0.14 -0.78 -1.23 0.00 0.00 177.57 175.43 1x0n h ASP 133 N 0.00 -0.34 -0.99 4.19 3.58 -1.47 -2.17 116.42 119.23 1x0n h ASP 133 Ca 0.27 -0.01 0.36 0.00 0.42 0.00 0.00 57.03 58.06 1x0n h ASP 133 Cb 1.17 0.09 -0.17 0.00 1.72 0.00 0.00 39.33 42.15 1x0n h ASP 133 CO -0.00 0.12 0.49 0.22 -2.88 0.00 0.00 179.24 177.18 1x0n h TYR 134 N -1.10 0.76 -0.11 0.28 5.03 -1.11 0.89 116.97 121.61 1x0n h TYR 134 Ca -0.04 0.04 -0.22 0.00 2.58 0.00 0.00 58.73 61.09 1x0n h TYR 134 Cb 0.33 -0.17 0.01 0.00 1.55 0.00 0.00 36.73 38.45 1x0n h TYR 134 CO 0.01 -0.34 -0.80 1.25 -1.32 0.00 0.00 178.16 176.96 1x0n h HIS 135 N 0.14 0.90 -0.17 -3.82 2.76 -1.54 -1.77 115.15 111.66 1x0n h HIS 135 Ca 0.76 -0.41 0.05 0.00 -2.20 0.00 0.00 60.37 58.57 1x0n h HIS 135 Cb 1.86 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 30.68 1x0n h HIS 135 CO -0.07 1.22 0.21 -0.09 -1.30 0.00 0.00 177.93 177.90 1x0n h ARG 136 N 0.44 0.00 0.02 5.26 2.43 0.15 -1.64 114.38 121.03 1x0n h ARG 136 Ca -0.06 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.75 1x0n h ARG 136 Cb 1.42 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.91 1x0n h ARG 136 CO 0.16 0.00 -2.24 0.43 -1.51 0.00 0.00 179.97 176.80 1x0n n SER 137 N -3.67 1.02 -4.05 -3.80 7.64 -0.80 -4.50 113.62 105.46 1x0n n SER 137 Ca 0.01 0.06 -0.22 0.00 1.01 0.00 0.00 58.87 59.73 1x0n n SER 137 Cb 0.33 0.15 -0.16 0.00 -1.01 0.00 0.00 64.21 63.52 1x0n n SER 137 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x0n s THR 138 N -2.53 1.02 0.78 0.44 2.01 -0.62 -5.07 115.64 111.68 1x0n s THR 138 Ca -0.18 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 1x0n s THR 138 Cb 0.07 -0.89 0.06 0.00 0.01 0.00 0.00 72.50 71.76 1x0n s THR 138 CO 0.75 0.30 1.11 -0.94 -0.69 0.00 0.00 174.62 175.16 1x0n s SER 139 N 0.08 4.30 0.00 3.53 1.04 -1.25 -4.09 113.70 117.31 1x0n s SER 139 Ca -0.02 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.35 1x0n s SER 139 Cb -0.09 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1x0n s SER 139 CO 0.01 -2.18 0.08 1.33 0.98 0.00 0.00 173.24 173.46 1x0n n VAL 140 N -3.44 0.00 -3.03 5.02 0.24 -1.26 -5.02 118.33 110.84 1x0n n VAL 140 Ca 0.10 -0.20 -0.32 0.00 -2.04 0.00 0.00 64.34 61.88 1x0n n VAL 140 Cb 0.53 1.22 -0.05 0.00 -1.47 0.00 0.00 33.84 34.06 1x0n n VAL 140 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1x0n s SER 141 N -0.25 6.72 0.00 -1.34 0.01 -1.26 -4.98 113.70 112.60 1x0n s SER 141 Ca 0.00 1.28 0.26 0.00 1.31 0.00 0.00 55.95 58.80 1x0n s SER 141 Cb 0.00 -2.38 0.68 0.00 0.21 0.00 0.00 66.02 64.53 1x0n s SER 141 CO 0.00 -0.27 1.52 0.54 0.41 0.00 0.00 173.24 175.44 1x0n n ARG 142 N -0.63 1.24 -0.09 12.44 5.12 -1.26 -4.26 116.66 129.21 1x0n n ARG 142 Ca 0.04 -0.81 -0.16 0.00 -1.93 0.00 0.00 57.85 54.98 1x0n n ARG 142 Cb 0.53 -1.48 -0.08 0.00 -1.16 0.00 0.00 32.46 30.27 1x0n n ARG 142 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1x0n n ASN 143 N -0.17 1.85 -3.55 0.55 5.03 -1.26 -5.05 115.26 112.67 1x0n n ASN 143 Ca 0.14 0.49 -0.18 0.00 0.87 0.00 0.00 54.58 55.90 1x0n n ASN 143 Cb 0.39 -0.92 -0.09 0.00 -1.02 0.00 0.00 39.78 38.14 1x0n n ASN 143 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1x0n s GLN 144 N -2.34 1.63 -0.77 3.52 -0.21 -1.26 -5.07 119.66 115.16 1x0n s GLN 144 Ca -0.25 -1.93 0.00 0.00 0.02 0.00 0.00 55.36 53.21 1x0n s GLN 144 Cb 0.05 0.31 0.36 0.00 1.00 0.00 0.00 33.01 34.74 1x0n s GLN 144 CO 0.46 -0.59 1.71 0.00 -2.12 0.00 0.00 175.29 174.75 1x0n n GLN 145 N -0.54 3.38 -1.82 2.91 10.64 -1.26 -4.25 117.38 126.43 1x0n n GLN 145 Ca 0.06 -4.02 -0.31 0.00 -1.83 0.00 0.00 57.00 50.90 1x0n n GLN 145 Cb 0.63 -2.30 0.02 0.00 -0.86 0.00 0.00 30.24 27.73 1x0n n GLN 145 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1x0n s ILE 146 N -5.02 4.47 0.16 -0.39 1.01 -1.26 -4.71 121.20 115.45 1x0n s ILE 146 Ca 0.49 0.84 0.10 0.00 0.00 0.00 0.00 60.65 62.08 1x0n s ILE 146 Cb 0.38 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 1x0n s ILE 146 CO -0.30 -1.01 -0.21 -0.36 0.00 0.00 0.00 174.94 173.05 1x0n s PHE 147 N -3.08 2.41 -0.33 3.97 0.08 -1.26 -4.14 117.98 115.63 1x0n s PHE 147 Ca 0.56 -0.32 -0.28 0.00 0.12 0.00 0.00 56.93 57.01 1x0n s PHE 147 Cb -0.12 -1.24 -0.02 0.00 -0.57 0.00 0.00 43.02 41.08 1x0n s PHE 147 CO 0.52 0.44 1.73 -0.51 -0.10 0.00 0.00 175.22 177.30 1x0n s LEU 148 N -2.43 3.55 -0.04 -0.37 1.43 -1.26 -4.59 118.68 114.97 1x0n s LEU 148 Ca 0.19 1.28 -0.23 0.00 -1.03 0.00 0.00 54.13 54.34 1x0n s LEU 148 Cb -0.09 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1x0n s LEU 148 CO 0.10 -1.62 0.68 -0.13 0.23 0.00 0.00 176.35 175.61 1x0n s ARG 149 N 5.45 4.42 -0.18 1.70 1.81 0.51 -4.69 118.95 127.98 1x0n s ARG 149 Ca 0.77 0.87 -0.30 0.00 -1.72 0.00 0.00 55.73 55.34 1x0n s ARG 149 Cb -0.22 -3.42 -0.07 0.00 -0.45 0.00 0.00 34.95 30.79 1x0n s ARG 149 CO 0.33 0.15 2.15 -0.40 -0.68 0.00 0.00 175.30 176.85 1x0n n ASP 150 N 3.46 3.27 -4.77 0.23 5.75 -1.26 -2.95 116.55 120.28 1x0n n ASP 150 Ca -0.03 0.42 -0.37 0.00 -0.01 0.00 0.00 54.79 54.81 1x0n n ASP 150 Cb 0.51 -1.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.11 1x0n n ASP 150 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1x0n s ILE 151 N 7.14 2.93 -1.02 2.12 2.07 -1.26 -4.90 121.20 128.28 1x0n s ILE 151 Ca 0.99 0.66 -0.23 0.00 -1.41 0.00 0.00 60.65 60.66 1x0n s ILE 151 Cb -0.46 -3.32 -0.02 0.00 0.13 0.00 0.00 42.46 38.79 1x0n s ILE 151 CO 0.40 -0.04 1.80 -1.61 -1.91 0.00 0.00 174.94 173.58 1x0n s GLU 152 N -2.89 2.93 0.97 3.50 2.02 -1.26 -4.91 118.70 119.06 1x0n s GLU 152 Ca 0.68 -0.80 -0.15 0.00 0.02 0.00 0.00 54.97 54.72 1x0n s GLU 152 Cb -0.30 -5.21 -0.03 0.00 0.10 0.00 0.00 34.13 28.69 1x0n s GLU 152 CO 0.35 -3.10 -0.07 0.94 0.02 0.00 0.00 175.26 173.41 1x0n n GLN 153 N 8.72 -0.20 -0.96 1.61 -0.06 -1.26 -4.72 117.38 120.51 1x0n n GLN 153 Ca 0.40 -0.03 -0.33 0.00 -2.00 0.00 0.00 57.00 55.03 1x0n n GLN 153 Cb 0.48 -1.53 -0.02 0.00 -4.06 0.00 0.00 30.24 25.10 1x0n n GLN 153 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 1x0n n VAL 154 N -3.21 1.20 -2.26 1.69 3.14 -1.26 -4.84 118.33 112.79 1x0n n VAL 154 Ca 0.03 -0.30 -0.37 0.00 -2.96 0.00 0.00 64.34 60.75 1x0n n VAL 154 Cb 0.55 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.32 1x0n n VAL 154 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1x0n s PRO 155 N -0.60 3.71 -0.28 1.45 0.04 -1.26 -5.04 135.00 133.02 1x0n s PRO 155 Ca 0.45 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.26 1x0n s PRO 155 Cb -0.66 -2.36 0.18 0.00 0.04 0.00 0.00 34.50 31.70 1x0n s PRO 155 CO 0.38 -0.58 0.53 -1.14 0.04 0.00 0.00 177.00 176.22 1x0n s GLN 156 N -2.76 0.50 -0.63 4.56 0.74 -1.26 -5.08 119.66 115.74 1x0n s GLN 156 Ca 0.65 0.67 -0.14 0.00 0.05 0.00 0.00 55.36 56.58 1x0n s GLN 156 Cb -0.28 0.15 -0.17 0.00 1.10 0.00 0.00 33.01 33.81 1x0n s GLN 156 CO 0.34 -0.80 1.55 0.94 -0.55 0.00 0.00 175.29 176.77 1x0n n GLN 157 N 5.40 0.00 -1.12 1.67 7.27 -1.26 -4.83 117.38 124.51 1x0n n GLN 157 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 1x0n n GLN 157 Cb 0.51 -0.81 0.21 0.00 2.41 0.00 0.00 30.24 32.56 1x0n n GLN 157 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1x0n s PRO 158 N 5.12 -0.51 0.00 3.69 0.04 -1.26 -5.35 135.00 136.73 1x0n s PRO 158 Ca 0.84 0.18 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1x0n s PRO 158 Cb -0.68 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1x0n s PRO 158 CO 0.33 -3.29 0.00 2.41 0.04 0.00 0.00 177.00 176.49