#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 3.58 -0.07 -2.67 5.36 -1.26 -1.03 117.98 121.89 1x0n s PHE 61 Ca 0.00 1.01 0.02 0.00 -0.96 0.00 0.00 56.93 57.00 1x0n s PHE 61 Cb 0.00 -2.34 0.02 0.00 -0.34 0.00 0.00 43.02 40.36 1x0n s PHE 61 CO 0.00 0.42 -0.10 -0.06 -1.46 0.00 0.00 175.22 174.02 1x0n s PHE 62 N -1.50 1.32 0.00 10.12 0.40 0.43 -4.93 117.98 123.82 1x0n s PHE 62 Ca 0.39 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 1x0n s PHE 62 Cb -0.14 -1.01 0.00 0.00 0.51 0.00 0.00 43.02 42.38 1x0n s PHE 62 CO 0.19 -0.29 0.00 0.41 0.70 0.00 0.00 175.22 176.23 1x0n n GLY 63 N 4.00 -0.28 2.92 4.36 0.00 -1.26 -2.50 105.19 112.43 1x0n n GLY 63 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1x0n n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0n s LYS 64 N 0.00 1.51 -0.09 1.61 -0.14 -1.26 -2.70 119.74 118.67 1x0n s LYS 64 Ca 0.00 -1.00 -0.08 0.00 -1.36 0.00 0.00 55.97 53.53 1x0n s LYS 64 Cb 0.00 -2.56 0.03 0.00 -1.68 0.00 0.00 37.83 33.62 1x0n s LYS 64 CO 0.00 -0.64 0.25 0.96 -0.76 0.00 0.00 175.35 175.16 1x0n s ILE 65 N 1.41 -0.00 0.40 2.17 -5.25 -1.26 -5.05 121.20 113.62 1x0n s ILE 65 Ca -0.04 0.02 -0.25 0.00 -0.99 0.00 0.00 60.65 59.38 1x0n s ILE 65 Cb -0.19 -0.35 -0.09 0.00 2.95 0.00 0.00 42.46 44.79 1x0n s ILE 65 CO -0.07 0.01 1.19 -2.16 -1.79 0.00 0.00 174.94 172.12 1x0n s PRO 66 N 0.27 4.06 0.43 0.37 0.04 -1.26 -4.81 135.00 134.10 1x0n s PRO 66 Ca -0.01 1.90 0.32 0.00 0.04 0.00 0.00 61.00 63.24 1x0n s PRO 66 Cb -0.03 -2.71 1.46 0.00 0.04 0.00 0.00 34.50 33.27 1x0n s PRO 66 CO -0.01 -0.33 1.53 2.89 0.04 0.00 0.00 177.00 181.12 1x0n n ARG 67 N 0.13 -0.04 0.49 4.56 1.85 -1.26 -0.04 116.66 122.35 1x0n n ARG 67 Ca 0.04 1.23 -0.20 0.00 -1.00 0.00 0.00 57.85 57.92 1x0n n ARG 67 Cb 0.46 -2.42 -0.10 0.00 -1.05 0.00 0.00 32.46 29.35 1x0n n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1x0n h ALA 68 N 1.56 -1.24 -0.93 2.89 0.00 -2.00 -2.15 119.26 117.39 1x0n h ALA 68 Ca 0.86 -0.27 0.23 0.00 0.00 0.00 0.00 54.91 55.74 1x0n h ALA 68 Cb 2.79 0.48 -0.13 0.00 0.00 0.00 0.00 17.79 20.93 1x0n h ALA 68 CO -0.46 -1.19 0.45 -0.22 0.00 0.00 0.00 179.25 177.83 1x0n h LYS 69 N -1.23 0.42 0.25 0.00 1.63 -0.81 -0.53 116.57 116.29 1x0n h LYS 69 Ca -0.13 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1x0n h LYS 69 Cb 0.95 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1x0n h LYS 69 CO 0.20 0.28 -0.16 0.00 -3.45 0.00 0.00 179.45 176.32 1x0n h ALA 70 N 1.73 -0.38 -1.01 5.00 0.00 -1.24 -1.92 119.26 121.42 1x0n h ALA 70 Ca 0.59 -0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.68 1x0n h ALA 70 Cb 1.14 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 1x0n h ALA 70 CO -0.53 -0.73 0.65 0.93 0.00 0.00 0.00 179.25 179.58 1x0n h GLU 71 N -0.40 0.42 -0.34 0.00 5.08 -0.44 0.17 114.58 119.07 1x0n h GLU 71 Ca -0.02 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 1x0n h GLU 71 Cb 0.33 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1x0n h GLU 71 CO 0.02 0.28 -0.33 0.93 -1.00 0.00 0.00 179.01 178.91 1x0n h GLU 72 N 0.44 0.81 -0.19 2.33 4.39 -0.98 0.82 114.58 122.20 1x0n h GLU 72 Ca 0.57 -0.43 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1x0n h GLU 72 Cb 1.39 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.04 1x0n h GLU 72 CO -0.29 1.06 -0.03 0.52 -1.16 0.00 0.00 179.01 179.12 1x0n h MET 73 N 0.60 0.28 0.05 2.33 2.86 0.03 -1.02 114.93 120.06 1x0n h MET 73 Ca 0.05 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1x0n h MET 73 Cb 0.91 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1x0n h MET 73 CO 0.08 0.34 -0.59 -0.07 1.06 0.00 0.00 176.91 177.73 1x0n h LEU 74 N 0.28 0.16 -0.48 1.22 3.38 -1.12 -3.34 115.31 115.40 1x0n h LEU 74 Ca 0.06 -0.89 0.06 0.00 0.09 0.00 0.00 57.88 57.21 1x0n h LEU 74 Cb 0.24 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1x0n h LEU 74 CO 0.01 1.26 0.17 -1.28 0.09 0.00 0.00 178.44 178.68 1x0n h SER 75 N -0.77 0.17 -0.22 -0.43 0.87 -0.73 0.46 113.55 112.90 1x0n h SER 75 Ca -0.13 0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.55 1x0n h SER 75 Cb 1.30 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 1x0n h SER 75 CO 0.01 0.13 0.40 0.07 -0.53 0.00 0.00 176.83 176.91 1x0n h LYS 76 N 0.34 0.00 -7.32 2.24 2.10 -1.33 -3.42 116.57 109.18 1x0n h LYS 76 Ca 0.23 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 58.44 1x0n h LYS 76 Cb 0.24 0.00 0.17 0.00 -0.90 0.00 0.00 32.23 31.74 1x0n h LYS 76 CO -0.24 0.00 0.14 -0.65 -2.00 0.00 0.00 179.45 176.71 1x0n s GLN 77 N -4.37 -0.19 -0.08 0.07 -1.52 0.15 -5.00 119.66 108.72 1x0n s GLN 77 Ca -0.04 0.45 0.08 0.00 -1.95 0.00 0.00 55.36 53.90 1x0n s GLN 77 Cb 0.12 -1.67 -0.11 0.00 -0.22 0.00 0.00 33.01 31.13 1x0n s GLN 77 CO 0.42 -3.13 0.04 0.54 -0.25 0.00 0.00 175.29 172.91 1x0n n ARG 78 N -4.44 2.46 -0.88 2.91 5.12 -1.26 -5.03 116.66 115.53 1x0n n ARG 78 Ca 0.06 -0.01 -0.21 0.00 -1.93 0.00 0.00 57.85 55.76 1x0n n ARG 78 Cb 0.57 -1.22 0.17 0.00 -1.16 0.00 0.00 32.46 30.83 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 -2.28 -3.72 -3.93 -1.55 8.25 -1.26 -5.06 115.22 105.67 1x0n n HIS 79 Ca -0.13 -0.74 -0.29 0.00 -0.26 0.00 0.00 57.72 56.31 1x0n n HIS 79 Cb 0.74 -0.79 -0.16 0.00 1.12 0.00 0.00 29.99 30.89 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 -3.80 2.87 0.00 0.41 1.01 -1.26 -4.75 116.67 111.14 1x0n s ASP 80 Ca 0.51 -0.65 0.00 0.00 0.71 0.00 0.00 52.55 53.12 1x0n s ASP 80 Cb -0.04 -1.02 0.00 0.00 1.01 0.00 0.00 42.92 42.87 1x0n s ASP 80 CO 0.38 -0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.22 1x0n n GLY 81 N 4.82 1.88 3.68 0.21 0.00 -1.08 -4.63 105.19 110.07 1x0n n GLY 81 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.39 1.92 -2.77 4.61 0.00 -1.26 -0.49 120.51 122.12 1x0n n ALA 82 Ca 0.00 0.29 -0.35 0.00 0.00 0.00 0.00 53.44 53.38 1x0n n ALA 82 Cb 0.00 -2.61 -0.10 0.00 0.00 0.00 0.00 19.45 16.74 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 3.24 3.14 -0.15 0.00 -0.71 -1.16 -1.64 117.98 120.71 1x0n s PHE 83 Ca 0.84 0.05 -0.05 0.00 -1.04 0.00 0.00 56.93 56.73 1x0n s PHE 83 Cb -0.49 -1.88 0.07 0.00 -1.21 0.00 0.00 43.02 39.52 1x0n s PHE 83 CO 0.40 0.29 0.31 -1.17 -1.34 0.00 0.00 175.22 173.71 1x0n s LEU 84 N -0.36 -0.40 -0.28 -1.99 0.20 -0.80 -4.37 118.68 110.67 1x0n s LEU 84 Ca 0.07 0.72 -0.13 0.00 0.69 0.00 0.00 54.13 55.48 1x0n s LEU 84 Cb -0.12 0.91 -0.04 0.00 -0.43 0.00 0.00 46.19 46.50 1x0n s LEU 84 CO 0.02 -0.24 0.27 -0.63 -0.29 0.00 0.00 176.35 175.49 1x0n s ILE 85 N 2.47 5.25 -0.01 6.68 1.01 -0.20 -0.61 121.20 135.79 1x0n s ILE 85 Ca 0.00 0.33 0.05 0.00 0.00 0.00 0.00 60.65 61.03 1x0n s ILE 85 Cb -0.12 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1x0n s ILE 85 CO -0.10 0.20 -0.14 0.00 0.00 0.00 0.00 174.94 174.89 1x0n s ARG 86 N 1.90 2.38 0.48 2.79 1.70 0.41 -0.42 118.95 128.18 1x0n s ARG 86 Ca 0.10 -0.79 -0.05 0.00 -0.47 0.00 0.00 55.73 54.53 1x0n s ARG 86 Cb -0.16 -2.33 -0.04 0.00 -0.57 0.00 0.00 34.95 31.85 1x0n s ARG 86 CO 0.11 0.59 0.78 -2.00 -1.08 0.00 0.00 175.30 173.70 1x0n s GLU 87 N -1.04 3.52 0.47 3.89 2.12 -1.04 -1.88 118.70 124.74 1x0n s GLU 87 Ca 0.13 0.18 -0.22 0.00 0.36 0.00 0.00 54.97 55.42 1x0n s GLU 87 Cb -0.11 -2.38 -0.08 0.00 0.26 0.00 0.00 34.13 31.82 1x0n s GLU 87 CO 0.03 -0.21 1.10 -1.12 -0.54 0.00 0.00 175.26 174.52 1x0n s SER 88 N -4.11 6.26 0.01 -1.70 0.01 -0.86 -4.24 113.70 109.06 1x0n s SER 88 Ca 0.47 2.12 -0.06 0.00 1.31 0.00 0.00 55.95 59.80 1x0n s SER 88 Cb -0.10 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 1x0n s SER 88 CO 0.45 -0.84 0.89 -0.33 0.41 0.00 0.00 173.24 173.81 1x0n h GLU 89 N 1.87 -0.20 -0.95 12.44 5.08 -1.93 -3.30 114.58 127.59 1x0n h GLU 89 Ca -0.49 0.01 -0.56 0.00 -1.00 0.00 0.00 59.36 57.32 1x0n h GLU 89 Cb 1.24 0.04 -0.29 0.00 0.50 0.00 0.00 28.75 30.24 1x0n h GLU 89 CO 0.60 -0.13 0.66 0.43 -1.00 0.00 0.00 179.01 179.57 1x0n n SER 90 N -2.65 5.18 -3.39 1.42 7.64 -1.26 -4.73 113.62 115.83 1x0n n SER 90 Ca -0.03 -3.69 -0.23 0.00 1.01 0.00 0.00 58.87 55.93 1x0n n SER 90 Cb 0.08 -0.87 -0.10 0.00 -1.01 0.00 0.00 64.21 62.32 1x0n n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x0n s ALA 91 N -3.50 0.32 -0.01 -0.43 0.00 -1.24 -5.12 121.76 111.76 1x0n s ALA 91 Ca 0.59 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 1x0n s ALA 91 Cb 0.49 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 1x0n s ALA 91 CO 0.06 -2.12 1.46 -1.25 0.00 0.00 0.00 175.76 173.91 1x0n s PRO 92 N 1.11 4.25 0.00 0.00 0.04 -1.26 -2.76 135.00 136.38 1x0n s PRO 92 Ca 0.19 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1x0n s PRO 92 Cb -0.17 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1x0n s PRO 92 CO -0.02 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.78 1x0n n GLY 93 N 3.76 2.90 3.60 0.56 0.00 -1.26 -5.05 105.19 109.70 1x0n n GLY 93 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1x0n n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x0n s ASP 94 N -1.09 6.43 -0.12 1.61 1.11 -1.11 -5.00 116.67 118.49 1x0n s ASP 94 Ca 0.00 0.75 -0.06 0.00 0.18 0.00 0.00 52.55 53.42 1x0n s ASP 94 Cb 0.00 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 1x0n s ASP 94 CO 0.00 -1.37 0.11 -0.36 1.18 0.00 0.00 175.17 174.73 1x0n s PHE 95 N 5.13 3.48 -0.04 4.23 0.08 -1.26 -2.04 117.98 127.56 1x0n s PHE 95 Ca 0.58 0.43 -0.02 0.00 0.12 0.00 0.00 56.93 58.03 1x0n s PHE 95 Cb -0.12 -1.93 0.03 0.00 -0.57 0.00 0.00 43.02 40.43 1x0n s PHE 95 CO 0.32 0.63 0.06 -1.54 -0.10 0.00 0.00 175.22 174.59 1x0n s SER 96 N -0.86 1.17 0.29 1.36 1.04 -0.79 -2.42 113.70 113.49 1x0n s SER 96 Ca 0.14 0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.53 1x0n s SER 96 Cb -0.12 -0.15 -0.07 0.00 0.10 0.00 0.00 66.02 65.78 1x0n s SER 96 CO 0.03 -0.25 0.63 -0.22 0.98 0.00 0.00 173.24 174.42 1x0n s LEU 97 N 2.16 4.08 -0.21 2.42 2.96 -0.98 -0.45 118.68 128.66 1x0n s LEU 97 Ca 0.05 1.03 -0.05 0.00 -0.22 0.00 0.00 54.13 54.94 1x0n s LEU 97 Cb -0.12 -3.83 0.07 0.00 0.50 0.00 0.00 46.19 42.82 1x0n s LEU 97 CO -0.03 -0.17 0.10 -0.55 -1.32 0.00 0.00 176.35 174.38 1x0n s SER 98 N -2.54 2.77 -0.13 3.68 0.15 0.22 -1.24 113.70 116.61 1x0n s SER 98 Ca 0.49 -0.85 -0.05 0.00 0.70 0.00 0.00 55.95 56.25 1x0n s SER 98 Cb -0.11 -0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 1x0n s SER 98 CO 0.22 -0.38 0.05 -0.69 1.20 0.00 0.00 173.24 173.64 1x0n s VAL 99 N 2.12 4.69 -0.41 4.45 1.01 0.03 -1.90 120.40 130.40 1x0n s VAL 99 Ca 0.04 -0.09 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 1x0n s VAL 99 Cb -0.16 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.20 1x0n s VAL 99 CO -0.19 0.56 0.85 -0.75 0.00 0.00 0.00 175.10 175.57 1x0n s LYS 100 N -0.47 3.64 -0.56 2.72 2.20 -0.65 -0.38 119.74 126.24 1x0n s LYS 100 Ca 0.10 0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 55.92 1x0n s LYS 100 Cb -0.12 -3.86 0.14 0.00 -1.51 0.00 0.00 37.83 32.48 1x0n s LYS 100 CO 0.02 -1.02 0.36 -0.06 -0.36 0.00 0.00 175.35 174.30 1x0n s PHE 101 N 3.37 3.45 0.00 4.03 0.08 -0.21 -2.63 117.98 126.07 1x0n s PHE 101 Ca 0.34 -2.66 0.00 0.00 0.12 0.00 0.00 56.93 54.73 1x0n s PHE 101 Cb -0.12 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 1x0n s PHE 101 CO 0.21 -0.87 0.00 0.41 -0.10 0.00 0.00 175.22 174.86 1x0n n GLY 102 N 3.78 3.23 2.02 4.36 0.00 -1.26 -2.16 105.19 115.18 1x0n n GLY 102 Ca 0.05 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1x0n n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x0n n ASN 103 N 7.62 3.89 -3.68 1.61 3.02 -1.26 -4.84 115.26 121.62 1x0n n ASN 103 Ca 0.00 -3.32 -0.10 0.00 -0.03 0.00 0.00 54.58 51.13 1x0n n ASN 103 Cb 0.00 -0.78 -0.11 0.00 -0.61 0.00 0.00 39.78 38.28 1x0n n ASN 103 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1x0n s ASP 104 N -0.96 -0.32 -0.38 6.41 1.01 -0.92 -5.13 116.67 116.39 1x0n s ASP 104 Ca 0.50 0.85 -0.21 0.00 0.71 0.00 0.00 52.55 54.40 1x0n s ASP 104 Cb 0.41 0.90 0.01 0.00 1.01 0.00 0.00 42.92 45.25 1x0n s ASP 104 CO 0.10 -0.21 0.66 -0.69 0.21 0.00 0.00 175.17 175.24 1x0n s VAL 105 N 1.87 4.85 0.54 -1.27 1.01 -1.26 -1.05 120.40 125.09 1x0n s VAL 105 Ca -0.06 0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.46 1x0n s VAL 105 Cb -0.10 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.20 1x0n s VAL 105 CO -0.12 -0.40 0.75 -1.10 0.00 0.00 0.00 175.10 174.23 1x0n s GLN 106 N 2.79 2.46 0.25 2.72 -0.21 0.49 -4.94 119.66 123.22 1x0n s GLN 106 Ca 0.25 -1.09 -0.08 0.00 0.02 0.00 0.00 55.36 54.46 1x0n s GLN 106 Cb -0.14 -2.56 -0.01 0.00 1.00 0.00 0.00 33.01 31.29 1x0n s GLN 106 CO 0.16 -0.72 0.38 -3.38 -2.12 0.00 0.00 175.29 169.61 1x0n s HIS 107 N -2.69 0.71 -0.16 0.91 -3.43 -1.26 -0.79 115.29 108.59 1x0n s HIS 107 Ca 0.59 -1.01 -0.05 0.00 -0.80 0.00 0.00 55.06 53.79 1x0n s HIS 107 Cb -0.09 -0.07 0.08 0.00 -1.43 0.00 0.00 32.58 31.07 1x0n s HIS 107 CO 0.38 -0.92 0.29 -0.06 -2.00 0.00 0.00 174.74 172.43 1x0n s PHE 108 N -3.89 -0.50 -0.02 0.38 0.40 -0.38 -4.94 117.98 109.04 1x0n s PHE 108 Ca 0.29 0.96 -0.30 0.00 -0.60 0.00 0.00 56.93 57.28 1x0n s PHE 108 Cb 0.02 -0.02 -0.06 0.00 0.51 0.00 0.00 43.02 43.47 1x0n s PHE 108 CO 0.12 -0.43 1.53 0.15 0.70 0.00 0.00 175.22 177.29 1x0n s LYS 109 N 2.45 4.22 0.13 0.44 1.02 -1.26 -2.33 119.74 124.42 1x0n s LYS 109 Ca 0.02 2.09 -0.22 0.00 0.02 0.00 0.00 55.97 57.89 1x0n s LYS 109 Cb -0.13 -3.74 -0.07 0.00 -0.52 0.00 0.00 37.83 33.37 1x0n s LYS 109 CO -0.10 -0.72 0.68 0.08 -0.92 0.00 0.00 175.35 174.37 1x0n s VAL 110 N 3.13 4.56 -0.04 3.17 1.01 -1.01 -4.96 120.40 126.26 1x0n s VAL 110 Ca 0.68 1.42 0.06 0.00 0.00 0.00 0.00 61.98 64.14 1x0n s VAL 110 Cb -0.33 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 1x0n s VAL 110 CO 0.28 0.49 -0.22 -0.76 0.00 0.00 0.00 175.10 174.89 1x0n s LEU 111 N -1.27 2.28 0.08 3.92 2.01 -0.96 -4.66 118.68 120.09 1x0n s LEU 111 Ca 0.34 -0.39 0.02 0.00 0.01 0.00 0.00 54.13 54.10 1x0n s LEU 111 Cb -0.21 -1.42 -0.04 0.00 0.01 0.00 0.00 46.19 44.54 1x0n s LEU 111 CO 0.22 0.31 -0.07 -0.13 1.01 0.00 0.00 176.35 177.69 1x0n s ARG 112 N -0.51 0.73 0.52 1.70 3.00 -1.26 -0.49 118.95 122.63 1x0n s ARG 112 Ca 0.07 -1.16 -0.00 0.00 0.00 0.00 0.00 55.73 54.63 1x0n s ARG 112 Cb -0.11 -0.20 0.10 0.00 0.00 0.00 0.00 34.95 34.74 1x0n s ARG 112 CO 0.01 -0.01 0.71 -0.40 0.00 0.00 0.00 175.30 175.61 1x0n n ASP 113 N 0.39 0.96 -1.62 0.23 5.75 -0.88 -4.97 116.55 116.41 1x0n n ASP 113 Ca -0.15 -1.81 -0.09 0.00 -0.01 0.00 0.00 54.79 52.72 1x0n n ASP 113 Cb 0.59 -0.46 0.03 0.00 -1.03 0.00 0.00 41.12 40.25 1x0n n ASP 113 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x0n n GLY 114 N -0.46 3.26 0.00 6.12 0.00 -1.26 -3.73 105.19 109.12 1x0n n GLY 114 Ca 0.12 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.50 1.96 0.00 4.61 0.00 -1.26 -5.06 120.51 121.27 1x0n n ALA 115 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1x0n n ALA 115 Cb 0.65 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 1.70 0.75 3.35 0.00 0.00 -1.24 -5.14 105.19 104.61 1x0n n GLY 116 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.44 0.28 1.61 1.02 -1.26 -4.72 119.74 120.11 1x0n s LYS 117 Ca 0.00 -0.60 -0.06 0.00 0.02 0.00 0.00 55.97 55.32 1x0n s LYS 117 Cb 0.00 -2.99 -0.06 0.00 -0.52 0.00 0.00 37.83 34.26 1x0n s LYS 117 CO 0.00 -0.10 0.56 0.71 -0.92 0.00 0.00 175.35 175.60 1x0n s TYR 118 N 1.25 3.47 0.13 3.18 2.02 -0.65 -2.08 117.35 124.66 1x0n s TYR 118 Ca 0.03 0.71 -0.26 0.00 -0.37 0.00 0.00 57.07 57.19 1x0n s TYR 118 Cb -0.14 -2.16 0.07 0.00 -0.40 0.00 0.00 41.96 39.33 1x0n s TYR 118 CO -0.01 0.18 1.02 -0.59 -1.57 0.00 0.00 175.55 174.58 1x0n s PHE 119 N -2.03 -0.10 0.00 2.71 -0.12 0.35 -0.42 117.98 118.37 1x0n s PHE 119 Ca 0.45 -0.18 0.00 0.00 -0.05 0.00 0.00 56.93 57.15 1x0n s PHE 119 Cb -0.11 0.63 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 1x0n s PHE 119 CO 0.28 -0.74 0.00 1.28 -0.05 0.00 0.00 175.22 175.99 1x0n n LEU 120 N -0.49 0.00 0.00 -1.99 4.32 -1.14 -2.25 117.00 115.45 1x0n n LEU 120 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 1x0n n LEU 120 Cb 0.61 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 1x0n n LEU 120 CO 0.14 0.00 0.00 0.79 -1.22 0.00 0.00 177.39 177.10 1x0n n TRP 121 N -0.19 0.00 0.00 -1.77 7.02 -1.26 -4.91 117.44 116.34 1x0n n TRP 121 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1x0n n TRP 121 Cb 0.00 -0.32 0.00 0.00 -2.42 0.00 0.00 31.31 28.57 1x0n n TRP 121 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1x0n n VAL 122 N -1.93 0.00 -2.57 -0.99 0.31 -1.26 -5.07 118.33 106.81 1x0n n VAL 122 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 1x0n n VAL 122 Cb 0.00 -0.48 -0.04 0.00 -0.91 0.00 0.00 33.84 32.41 1x0n n VAL 122 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1x0n s VAL 123 N -1.50 3.85 0.16 2.52 0.11 -1.26 -5.07 120.40 119.21 1x0n s VAL 123 Ca 0.00 1.16 -0.05 0.00 -2.93 0.00 0.00 61.98 60.16 1x0n s VAL 123 Cb 0.00 -3.47 -0.03 0.00 -1.53 0.00 0.00 36.38 31.35 1x0n s VAL 123 CO 0.00 -0.24 0.18 -1.59 -3.33 0.00 0.00 175.10 170.12 1x0n s LYS 124 N -3.20 1.09 0.35 1.54 -2.85 -1.26 -2.87 119.74 112.53 1x0n s LYS 124 Ca 0.66 -1.35 -0.11 0.00 -1.00 0.00 0.00 55.97 54.18 1x0n s LYS 124 Cb -0.16 0.31 0.03 0.00 -2.06 0.00 0.00 37.83 35.95 1x0n s LYS 124 CO 0.19 -0.36 0.65 -0.06 0.10 0.00 0.00 175.35 175.87 1x0n s PHE 125 N -4.03 0.44 -0.10 1.78 0.08 0.44 -4.98 117.98 111.62 1x0n s PHE 125 Ca 0.23 -0.92 -0.12 0.00 0.12 0.00 0.00 56.93 56.24 1x0n s PHE 125 Cb 0.05 0.45 -0.28 0.00 -0.57 0.00 0.00 43.02 42.68 1x0n s PHE 125 CO 0.03 -1.34 0.51 -0.91 -0.10 0.00 0.00 175.22 173.41 1x0n h ASN 126 N 2.06 0.45 -4.32 1.36 2.35 -1.85 -1.72 115.58 113.91 1x0n h ASN 126 Ca -0.29 -0.90 -0.36 0.00 -0.55 0.00 0.00 56.30 54.20 1x0n h ASN 126 Cb 1.25 -0.15 -0.19 0.00 0.05 0.00 0.00 38.32 39.28 1x0n h ASN 126 CO 0.38 1.75 -0.75 -0.55 -1.65 0.00 0.00 177.43 176.61 1x0n s SER 127 N -7.12 1.60 0.56 5.81 0.15 -1.26 -4.48 113.70 108.96 1x0n s SER 127 Ca -0.20 -0.77 0.25 0.00 0.70 0.00 0.00 55.95 55.93 1x0n s SER 127 Cb 0.05 -0.02 1.60 0.00 -1.71 0.00 0.00 66.02 65.94 1x0n s SER 127 CO 0.79 -0.20 2.18 -0.07 1.20 0.00 0.00 173.24 177.14 1x0n h LEU 128 N 3.71 0.00 -1.55 3.45 3.38 -1.97 -1.57 115.31 120.76 1x0n h LEU 128 Ca -0.38 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.74 1x0n h LEU 128 Cb 1.19 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 1x0n h LEU 128 CO 0.50 0.00 0.52 -1.13 0.09 0.00 0.00 178.44 178.42 1x0n h ASN 129 N 0.00 0.41 0.18 -0.43 -1.24 -1.99 0.67 115.58 113.18 1x0n h ASN 129 Ca 0.03 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.06 1x0n h ASN 129 Cb 0.15 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1x0n h ASN 129 CO -0.00 0.21 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.18 1x0n h GLU 130 N 0.43 -0.23 -1.10 6.67 4.22 -1.71 -2.77 114.58 120.10 1x0n h GLU 130 Ca 0.39 0.02 0.30 0.00 0.08 0.00 0.00 59.36 60.15 1x0n h GLU 130 Cb 0.89 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.11 1x0n h GLU 130 CO -0.13 -0.15 0.75 1.37 -2.18 0.00 0.00 179.01 178.67 1x0n h LEU 131 N -0.56 0.24 0.50 1.64 8.10 -1.58 -0.99 115.31 122.66 1x0n h LEU 131 Ca -0.02 0.05 -0.02 0.00 0.11 0.00 0.00 57.88 57.99 1x0n h LEU 131 Cb 0.18 0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.42 1x0n h LEU 131 CO 0.04 0.03 -0.24 0.58 -4.11 0.00 0.00 178.44 174.75 1x0n h VAL 132 N 0.20 0.00 -0.17 0.15 2.07 -0.93 -1.54 116.25 116.03 1x0n h VAL 132 Ca 0.59 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 68.02 1x0n h VAL 132 Cb 1.87 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 1x0n h VAL 132 CO -0.17 0.00 -0.32 -0.78 0.02 0.00 0.00 177.57 176.32 1x0n h ASP 133 N -0.80 -0.99 -0.51 0.57 3.58 -1.05 -0.20 116.42 117.02 1x0n h ASP 133 Ca -0.07 0.15 0.10 0.00 0.42 0.00 0.00 57.03 57.63 1x0n h ASP 133 Cb 0.51 0.43 -0.10 0.00 1.72 0.00 0.00 39.33 41.89 1x0n h ASP 133 CO 0.11 -0.35 -0.16 0.22 -2.88 0.00 0.00 179.24 176.18 1x0n h TYR 134 N -0.37 -0.38 0.00 0.28 3.20 -1.29 0.62 116.97 119.04 1x0n h TYR 134 Ca 0.11 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1x0n h TYR 134 Cb 0.54 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1x0n h TYR 134 CO -0.42 -0.26 0.00 0.45 -1.64 0.00 0.00 178.16 176.29 1x0n h HIS 135 N -0.05 0.00 0.00 -3.82 3.86 -0.53 0.56 115.15 115.18 1x0n h HIS 135 Ca 0.24 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.34 1x0n h HIS 135 Cb 0.42 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1x0n h HIS 135 CO -0.46 0.00 -0.59 -0.09 0.86 0.00 0.00 177.93 177.65 1x0n h ARG 136 N 0.00 0.00 -0.01 2.45 2.43 0.20 -3.26 114.38 116.19 1x0n h ARG 136 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1x0n h ARG 136 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1x0n h ARG 136 CO 0.00 0.49 -0.39 -1.13 -1.51 0.00 0.00 179.97 177.43 1x0n n SER 137 N -3.20 1.61 -4.15 -3.80 3.41 -0.55 -4.08 113.62 102.87 1x0n n SER 137 Ca 0.01 -1.31 -0.18 0.00 -0.26 0.00 0.00 58.87 57.13 1x0n n SER 137 Cb 0.75 0.51 -0.12 0.00 -0.26 0.00 0.00 64.21 65.09 1x0n n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1x0n s THR 138 N -2.03 1.05 1.00 6.66 2.01 0.08 -5.09 115.64 119.31 1x0n s THR 138 Ca 0.13 -1.19 -0.17 0.00 0.31 0.00 0.00 61.69 60.77 1x0n s THR 138 Cb 0.14 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.55 1x0n s THR 138 CO 0.45 -0.18 -0.57 -1.54 -0.69 0.00 0.00 174.62 172.10 1x0n n SER 139 N 1.48 -4.49 0.00 3.53 3.41 -1.26 -4.58 113.62 111.71 1x0n n SER 139 Ca -0.20 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1x0n n SER 139 Cb 0.54 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1x0n n SER 139 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1x0n n VAL 140 N -3.01 0.00 -3.26 -3.33 0.24 -1.22 -4.88 118.33 102.87 1x0n n VAL 140 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.93 1x0n n VAL 140 Cb 0.58 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.89 1x0n n VAL 140 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x0n s SER 141 N -2.38 6.99 -0.16 -1.34 0.15 -1.26 -4.96 113.70 110.75 1x0n s SER 141 Ca 0.00 1.24 0.03 0.00 0.70 0.00 0.00 55.95 57.92 1x0n s SER 141 Cb 0.00 -2.35 0.30 0.00 -1.71 0.00 0.00 66.02 62.26 1x0n s SER 141 CO 0.00 0.17 1.26 0.54 1.20 0.00 0.00 173.24 176.41 1x0n n ARG 142 N 1.21 1.92 0.00 5.44 1.74 -1.26 -4.00 116.66 121.70 1x0n n ARG 142 Ca -0.07 -1.28 0.00 0.00 -0.77 0.00 0.00 57.85 55.73 1x0n n ARG 142 Cb 0.51 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 1x0n n ARG 142 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1x0n n ASN 143 N -0.03 0.14 -3.77 0.55 4.13 -1.26 -5.13 115.26 109.89 1x0n n ASN 143 Ca 0.20 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.23 1x0n n ASN 143 Cb 0.87 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 39.06 1x0n n ASN 143 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x0n n GLN 144 N -2.70 0.84 -2.80 3.52 1.13 -1.26 -5.07 117.38 111.04 1x0n n GLN 144 Ca 0.00 -2.86 -0.36 0.00 -1.94 0.00 0.00 57.00 51.84 1x0n n GLN 144 Cb 0.25 1.15 -0.00 0.00 0.11 0.00 0.00 30.24 31.74 1x0n n GLN 144 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1x0n n GLN 145 N -0.87 4.55 -3.73 -1.09 6.02 -1.26 -4.35 117.38 116.63 1x0n n GLN 145 Ca -0.11 -4.73 -0.33 0.00 -0.01 0.00 0.00 57.00 51.83 1x0n n GLN 145 Cb 0.50 -2.39 -0.05 0.00 1.02 0.00 0.00 30.24 29.32 1x0n n GLN 145 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1x0n s ILE 146 N -4.19 5.24 0.38 5.09 1.01 -1.26 -4.96 121.20 122.50 1x0n s ILE 146 Ca 0.42 0.04 0.08 0.00 0.00 0.00 0.00 60.65 61.19 1x0n s ILE 146 Cb 0.21 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 1x0n s ILE 146 CO -0.11 0.18 0.15 -0.36 0.00 0.00 0.00 174.94 174.80 1x0n s PHE 147 N -1.50 2.64 -0.51 3.97 0.08 -1.26 -3.41 117.98 117.99 1x0n s PHE 147 Ca 0.35 -0.49 -0.29 0.00 0.12 0.00 0.00 56.93 56.63 1x0n s PHE 147 Cb -0.13 -1.78 0.03 0.00 -0.57 0.00 0.00 43.02 40.57 1x0n s PHE 147 CO 0.22 0.27 1.14 -0.51 -0.10 0.00 0.00 175.22 176.25 1x0n s LEU 148 N -3.86 3.60 0.06 -0.37 1.43 -1.24 -4.63 118.68 113.66 1x0n s LEU 148 Ca 0.39 0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.53 1x0n s LEU 148 Cb 0.01 -3.42 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 1x0n s LEU 148 CO 0.22 -1.31 1.01 -0.13 0.23 0.00 0.00 176.35 176.37 1x0n s ARG 149 N 4.57 4.59 -0.22 1.70 1.81 0.35 -4.72 118.95 127.04 1x0n s ARG 149 Ca 0.46 1.50 -0.31 0.00 -1.72 0.00 0.00 55.73 55.66 1x0n s ARG 149 Cb -0.07 -3.41 -0.08 0.00 -0.45 0.00 0.00 34.95 30.94 1x0n s ARG 149 CO 0.30 0.02 2.15 -3.47 -0.68 0.00 0.00 175.30 173.61 1x0n n ASP 150 N 3.44 3.05 -4.76 0.23 -0.08 -1.26 -2.96 116.55 114.21 1x0n n ASP 150 Ca 0.05 0.42 -0.40 0.00 -1.51 0.00 0.00 54.79 53.34 1x0n n ASP 150 Cb 0.49 -1.45 -0.04 0.00 2.34 0.00 0.00 41.12 42.47 1x0n n ASP 150 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1x0n s ILE 151 N 7.18 3.25 -1.27 5.18 2.07 -1.26 -4.94 121.20 131.42 1x0n s ILE 151 Ca 1.01 1.24 -0.18 0.00 -1.41 0.00 0.00 60.65 61.31 1x0n s ILE 151 Cb -0.53 -3.79 0.08 0.00 0.13 0.00 0.00 42.46 38.35 1x0n s ILE 151 CO 0.42 0.29 1.68 -0.70 -1.91 0.00 0.00 174.94 174.71 1x0n s GLU 152 N -1.42 3.97 0.42 3.50 2.12 -1.26 -4.81 118.70 121.22 1x0n s GLU 152 Ca 0.47 -2.00 -0.26 0.00 0.36 0.00 0.00 54.97 53.53 1x0n s GLU 152 Cb -0.34 -5.47 -0.09 0.00 0.26 0.00 0.00 34.13 28.49 1x0n s GLU 152 CO 0.44 -2.19 1.42 -1.14 -0.54 0.00 0.00 175.26 173.25 1x0n s GLN 153 N 3.96 3.88 -0.19 4.30 -0.44 -1.26 -4.81 119.66 125.09 1x0n s GLN 153 Ca 0.52 2.41 -0.34 0.00 -2.50 0.00 0.00 55.36 55.46 1x0n s GLN 153 Cb 0.03 -2.78 -0.15 0.00 -1.64 0.00 0.00 33.01 28.47 1x0n s GLN 153 CO 0.06 -0.66 1.03 1.55 0.50 0.00 0.00 175.29 177.76 1x0n n VAL 154 N 0.08 0.00 -1.17 1.34 3.14 -1.26 -4.89 118.33 115.57 1x0n n VAL 154 Ca 0.03 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.13 1x0n n VAL 154 Cb 0.41 -0.19 0.17 0.00 -1.06 0.00 0.00 33.84 33.17 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 1.16 0.54 -0.65 1.45 0.04 -1.26 -5.00 135.00 131.28 1x0n s PRO 155 Ca 0.75 0.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.23 1x0n s PRO 155 Cb -1.07 -1.75 0.17 0.00 0.04 0.00 0.00 34.50 31.89 1x0n s PRO 155 CO 0.54 -2.67 0.57 -1.14 0.04 0.00 0.00 177.00 174.34 1x0n s GLN 156 N -4.96 3.08 -0.89 4.56 2.00 -1.26 -4.99 119.66 117.20 1x0n s GLN 156 Ca 0.65 -2.10 -0.05 0.00 -2.00 0.00 0.00 55.36 51.87 1x0n s GLN 156 Cb -0.18 -4.22 0.22 0.00 0.80 0.00 0.00 33.01 29.63 1x0n s GLN 156 CO 0.57 -1.27 0.80 -0.65 -0.50 0.00 0.00 175.29 174.24 1x0n s GLN 157 N 0.83 3.39 1.09 1.67 -0.21 -1.26 -5.07 119.66 120.10 1x0n s GLN 157 Ca 0.11 -3.08 -0.15 0.00 0.02 0.00 0.00 55.36 52.25 1x0n s GLN 157 Cb -0.21 -4.09 0.23 0.00 1.00 0.00 0.00 33.01 29.95 1x0n s GLN 157 CO -0.03 -1.25 1.10 -1.25 -2.12 0.00 0.00 175.29 171.74 1x0n s PRO 158 N -1.00 -0.29 0.00 2.91 0.04 -1.26 -5.34 135.00 130.05 1x0n s PRO 158 Ca 0.26 0.27 0.22 0.00 0.04 0.00 0.00 61.00 61.79 1x0n s PRO 158 Cb -0.10 -1.67 0.18 0.00 0.04 0.00 0.00 34.50 32.94 1x0n s PRO 158 CO -0.10 -3.16 1.20 2.41 0.04 0.00 0.00 177.00 177.39