#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 1.94 -0.01 5.87 5.36 -1.26 -0.42 117.98 129.46 1x0n s PHE 61 Ca 0.00 -0.41 0.02 0.00 -0.96 0.00 0.00 56.93 55.58 1x0n s PHE 61 Cb 0.00 -1.04 -0.00 0.00 -0.34 0.00 0.00 43.02 41.64 1x0n s PHE 61 CO 0.00 0.27 -0.08 -0.06 -1.46 0.00 0.00 175.22 173.89 1x0n s PHE 62 N -1.31 0.73 -0.40 10.12 0.40 -0.12 -4.93 117.98 122.47 1x0n s PHE 62 Ca 0.10 -0.14 -0.23 0.00 -0.60 0.00 0.00 56.93 56.06 1x0n s PHE 62 Cb -0.09 -0.48 0.01 0.00 0.51 0.00 0.00 43.02 42.97 1x0n s PHE 62 CO 0.05 -0.03 0.75 0.20 0.70 0.00 0.00 175.22 176.90 1x0n s GLY 63 N -0.11 1.65 -0.05 4.36 0.00 -1.26 -2.72 107.32 109.19 1x0n s GLY 63 Ca 0.02 -0.84 -0.02 0.00 0.00 0.00 0.00 44.72 43.88 1x0n s GLY 63 CO -0.00 1.72 0.04 0.28 0.00 0.00 0.00 173.10 175.13 1x0n n LYS 64 N 6.46 -1.70 -3.78 2.90 4.01 -1.11 -4.97 118.16 119.98 1x0n n LYS 64 Ca 0.02 1.58 -0.13 0.00 -0.51 0.00 0.00 58.31 59.27 1x0n n LYS 64 Cb 0.48 -1.88 -0.13 0.00 -0.51 0.00 0.00 35.03 32.99 1x0n n LYS 64 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1x0n s ILE 65 N -0.51 -0.02 0.34 -0.18 -5.25 -1.26 -5.04 121.20 109.29 1x0n s ILE 65 Ca -0.04 0.06 -0.28 0.00 -0.99 0.00 0.00 60.65 59.40 1x0n s ILE 65 Cb 0.00 -0.29 -0.09 0.00 2.95 0.00 0.00 42.46 45.03 1x0n s ILE 65 CO 0.19 0.02 1.21 -2.16 -1.79 0.00 0.00 174.94 172.41 1x0n s PRO 66 N 0.52 4.31 0.45 0.37 0.04 -1.26 -4.84 135.00 134.59 1x0n s PRO 66 Ca -0.03 2.00 0.34 0.00 0.04 0.00 0.00 61.00 63.34 1x0n s PRO 66 Cb -0.05 -2.96 1.51 0.00 0.04 0.00 0.00 34.50 33.04 1x0n s PRO 66 CO -0.03 -0.15 1.56 2.89 0.04 0.00 0.00 177.00 181.32 1x0n n ARG 67 N 0.64 -0.03 -0.01 4.56 0.00 -1.26 0.10 116.66 120.66 1x0n n ARG 67 Ca 0.01 1.24 -0.11 0.00 -0.00 0.00 0.00 57.85 58.99 1x0n n ARG 67 Cb 0.44 -2.47 -0.05 0.00 -0.00 0.00 0.00 32.46 30.38 1x0n n ARG 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x0n h ALA 68 N 1.54 0.15 -0.54 2.89 0.00 -2.00 -1.64 119.26 119.66 1x0n h ALA 68 Ca 0.88 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.81 1x0n h ALA 68 Cb 2.91 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 20.62 1x0n h ALA 68 CO -0.43 -0.35 0.31 -0.22 0.00 0.00 0.00 179.25 178.56 1x0n h LYS 69 N 0.14 0.58 0.35 0.00 1.63 0.36 -2.22 116.57 117.41 1x0n h LYS 69 Ca 0.04 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1x0n h LYS 69 Cb 0.01 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 1x0n h LYS 69 CO -0.01 0.39 -0.27 0.00 -3.45 0.00 0.00 179.45 176.11 1x0n h ALA 70 N 1.26 -0.61 -0.95 5.00 0.00 -1.24 -1.25 119.26 121.47 1x0n h ALA 70 Ca 0.23 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.24 1x0n h ALA 70 Cb 0.07 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1x0n h ALA 70 CO -0.12 -0.87 0.62 0.93 0.00 0.00 0.00 179.25 179.81 1x0n h GLU 71 N -0.62 0.45 -0.12 0.00 5.08 -1.10 -0.57 114.58 117.71 1x0n h GLU 71 Ca -0.03 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1x0n h GLU 71 Cb 0.53 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1x0n h GLU 71 CO -0.00 0.30 -0.06 0.93 -1.00 0.00 0.00 179.01 179.17 1x0n h GLU 72 N 0.47 0.26 -0.75 2.33 4.39 -0.77 0.13 114.58 120.63 1x0n h GLU 72 Ca 0.51 -0.11 0.15 0.00 0.34 0.00 0.00 59.36 60.25 1x0n h GLU 72 Cb 1.20 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.80 1x0n h GLU 72 CO -0.23 0.60 0.50 0.52 -1.16 0.00 0.00 179.01 179.24 1x0n h MET 73 N -0.09 0.38 0.00 2.33 2.86 0.05 0.13 114.93 120.59 1x0n h MET 73 Ca 0.03 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1x0n h MET 73 Cb 0.52 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1x0n h MET 73 CO 0.02 0.25 -0.41 -0.07 1.06 0.00 0.00 176.91 177.76 1x0n h LEU 74 N 0.39 0.00 -0.33 1.22 3.38 -1.27 -3.35 115.31 115.35 1x0n h LEU 74 Ca 0.37 -0.81 0.07 0.00 0.09 0.00 0.00 57.88 57.59 1x0n h LEU 74 Cb 0.87 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 1x0n h LEU 74 CO -0.11 1.15 -0.09 -1.28 0.09 0.00 0.00 178.44 178.20 1x0n h SER 75 N -1.00 -0.32 -1.09 -0.43 0.87 -0.33 0.42 113.55 111.67 1x0n h SER 75 Ca -0.11 0.10 0.32 0.00 -1.23 0.00 0.00 61.79 60.87 1x0n h SER 75 Cb 1.07 0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 63.20 1x0n h SER 75 CO -0.07 -0.12 0.84 0.07 -0.53 0.00 0.00 176.83 177.02 1x0n h LYS 76 N -0.01 0.00 0.00 2.24 2.10 -0.92 -3.41 116.57 116.58 1x0n h LYS 76 Ca 0.16 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.46 1x0n h LYS 76 Cb 0.25 0.00 0.19 0.00 -0.90 0.00 0.00 32.23 31.77 1x0n h LYS 76 CO -0.34 0.00 0.01 1.04 -2.00 0.00 0.00 179.45 178.16 1x0n n GLN 77 N -4.06 -3.59 0.00 0.07 1.13 0.14 -5.02 117.38 106.05 1x0n n GLN 77 Ca 0.23 -1.51 0.00 0.00 -1.94 0.00 0.00 57.00 53.78 1x0n n GLN 77 Cb 1.20 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.96 1x0n n GLN 77 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1x0n n ARG 78 N -4.91 1.59 0.00 -1.09 5.12 -1.26 -5.07 116.66 111.04 1x0n n ARG 78 Ca 0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 1x0n n ARG 78 Cb 0.54 -0.80 0.00 0.00 -1.16 0.00 0.00 32.46 31.05 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 -1.62 -2.46 -4.29 -1.55 8.25 -1.26 -5.05 115.22 107.24 1x0n n HIS 79 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 1x0n n HIS 79 Cb 0.30 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.24 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 -1.70 2.13 0.00 0.41 1.01 -1.26 -4.75 116.67 112.50 1x0n s ASP 80 Ca 0.00 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 52.92 1x0n s ASP 80 Cb 0.00 -0.92 0.00 0.00 1.01 0.00 0.00 42.92 43.01 1x0n s ASP 80 CO 0.00 -0.03 0.00 0.61 0.21 0.00 0.00 175.17 175.96 1x0n n GLY 81 N 4.35 1.61 3.57 0.21 0.00 -1.26 -4.59 105.19 109.08 1x0n n GLY 81 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.76 1.36 -2.81 4.61 0.00 -1.26 -0.37 120.51 121.28 1x0n n ALA 82 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 53.44 52.65 1x0n n ALA 82 Cb 0.00 -2.99 -0.06 0.00 0.00 0.00 0.00 19.45 16.40 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 9.72 3.25 -0.25 0.00 -0.12 -1.16 -2.44 117.98 126.98 1x0n s PHE 83 Ca 1.01 0.10 -0.12 0.00 -0.05 0.00 0.00 56.93 57.86 1x0n s PHE 83 Cb -0.33 -1.63 0.09 0.00 -0.63 0.00 0.00 43.02 40.52 1x0n s PHE 83 CO 0.33 0.53 0.60 -1.17 -0.05 0.00 0.00 175.22 175.46 1x0n s LEU 84 N -2.55 -0.78 -0.20 -1.99 0.20 -0.32 -4.12 118.68 108.93 1x0n s LEU 84 Ca 0.31 1.35 -0.09 0.00 0.69 0.00 0.00 54.13 56.38 1x0n s LEU 84 Cb -0.12 2.05 -0.05 0.00 -0.43 0.00 0.00 46.19 47.65 1x0n s LEU 84 CO 0.23 -0.23 0.11 -0.63 -0.29 0.00 0.00 176.35 175.55 1x0n s ILE 85 N 1.95 5.21 0.18 6.68 1.01 0.44 -0.39 121.20 136.27 1x0n s ILE 85 Ca -0.08 0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.77 1x0n s ILE 85 Cb -0.08 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 1x0n s ILE 85 CO -0.18 0.43 -0.08 0.00 0.00 0.00 0.00 174.94 175.12 1x0n s ARG 86 N 0.48 2.13 0.09 2.79 1.70 -0.33 -0.94 118.95 124.86 1x0n s ARG 86 Ca 0.07 -1.23 0.10 0.00 -0.47 0.00 0.00 55.73 54.19 1x0n s ARG 86 Cb -0.12 -2.20 -0.03 0.00 -0.57 0.00 0.00 34.95 32.03 1x0n s ARG 86 CO -0.00 0.44 -0.25 -2.00 -1.08 0.00 0.00 175.30 172.41 1x0n s GLU 87 N -2.84 1.67 1.33 3.89 2.12 -1.10 -1.80 118.70 121.98 1x0n s GLU 87 Ca 0.25 -1.20 -0.20 0.00 0.36 0.00 0.00 54.97 54.18 1x0n s GLU 87 Cb -0.09 -1.99 0.34 0.00 0.26 0.00 0.00 34.13 32.65 1x0n s GLU 87 CO 0.16 0.49 0.97 -1.12 -0.54 0.00 0.00 175.26 175.22 1x0n s SER 88 N -1.69 -0.33 -0.23 -1.70 0.01 -1.18 -2.74 113.70 105.83 1x0n s SER 88 Ca 0.14 1.00 0.07 0.00 1.31 0.00 0.00 55.95 58.47 1x0n s SER 88 Cb -0.10 -1.47 -0.19 0.00 0.21 0.00 0.00 66.02 64.47 1x0n s SER 88 CO 0.05 -4.93 -0.13 -0.62 0.41 0.00 0.00 173.24 168.02 1x0n n GLU 89 N -5.36 0.69 -0.06 12.44 1.02 -1.26 -4.44 120.64 123.67 1x0n n GLU 89 Ca 0.10 0.09 0.03 0.00 -0.02 0.00 0.00 57.16 57.37 1x0n n GLU 89 Cb 0.58 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.55 1x0n n GLU 89 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1x0n n SER 90 N -3.07 1.76 -3.85 1.62 7.64 -1.26 -4.93 113.62 111.54 1x0n n SER 90 Ca -0.40 -2.26 -0.30 0.00 1.01 0.00 0.00 58.87 56.92 1x0n n SER 90 Cb 1.02 -0.16 -0.14 0.00 -1.01 0.00 0.00 64.21 63.92 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 -1.45 2.49 0.12 -0.43 0.00 -1.26 -5.10 121.76 116.12 1x0n s ALA 91 Ca 0.11 -2.55 -0.31 0.00 0.00 0.00 0.00 51.96 49.21 1x0n s ALA 91 Cb 0.09 -1.92 -0.08 0.00 0.00 0.00 0.00 23.12 21.22 1x0n s ALA 91 CO 0.01 -1.87 1.35 -1.25 0.00 0.00 0.00 175.76 174.00 1x0n s PRO 92 N 0.61 4.34 0.00 0.00 0.04 -1.26 -2.74 135.00 135.99 1x0n s PRO 92 Ca 0.14 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1x0n s PRO 92 Cb -0.22 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1x0n s PRO 92 CO -0.07 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 176.99 1x0n n GLY 93 N 3.29 0.69 3.55 0.56 0.00 -1.26 -5.03 105.19 106.98 1x0n n GLY 93 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.94 6.44 -0.05 1.61 -1.08 -1.11 -4.95 116.67 114.59 1x0n s ASP 94 Ca 0.00 -0.04 0.06 0.00 -0.52 0.00 0.00 52.55 52.05 1x0n s ASP 94 Cb 0.00 -2.44 -0.02 0.00 -1.46 0.00 0.00 42.92 39.01 1x0n s ASP 94 CO 0.00 -1.07 -0.22 -0.36 0.52 0.00 0.00 175.17 174.05 1x0n s PHE 95 N 3.72 2.50 -0.06 -5.34 0.08 -1.26 -3.09 117.98 114.53 1x0n s PHE 95 Ca 0.34 -0.48 -0.00 0.00 0.12 0.00 0.00 56.93 56.91 1x0n s PHE 95 Cb -0.11 -1.60 0.03 0.00 -0.57 0.00 0.00 43.02 40.77 1x0n s PHE 95 CO 0.24 -0.05 -0.02 0.45 -0.10 0.00 0.00 175.22 175.74 1x0n s SER 96 N -0.42 1.31 0.06 1.36 0.15 -0.74 -2.58 113.70 112.84 1x0n s SER 96 Ca 0.04 -0.11 -0.21 0.00 0.70 0.00 0.00 55.95 56.38 1x0n s SER 96 Cb -0.12 -0.45 -0.06 0.00 -1.71 0.00 0.00 66.02 63.68 1x0n s SER 96 CO 0.02 -0.13 0.62 -0.22 1.20 0.00 0.00 173.24 174.72 1x0n s LEU 97 N 1.52 4.50 -0.23 3.45 1.98 -0.98 -1.18 118.68 127.73 1x0n s LEU 97 Ca -0.02 1.30 -0.01 0.00 -2.89 0.00 0.00 54.13 52.52 1x0n s LEU 97 Cb -0.13 -2.99 0.07 0.00 0.66 0.00 0.00 46.19 43.79 1x0n s LEU 97 CO -0.03 0.19 0.00 -0.44 -1.89 0.00 0.00 176.35 174.18 1x0n s SER 98 N -0.75 3.57 0.07 3.68 0.01 0.48 -0.81 113.70 119.95 1x0n s SER 98 Ca 0.31 -1.14 0.05 0.00 1.31 0.00 0.00 55.95 56.49 1x0n s SER 98 Cb -0.20 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 65.05 1x0n s SER 98 CO 0.20 -0.29 -0.08 -0.69 0.41 0.00 0.00 173.24 172.79 1x0n s VAL 99 N 1.57 3.54 -0.24 3.43 1.01 -0.29 -1.17 120.40 128.26 1x0n s VAL 99 Ca -0.02 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.77 1x0n s VAL 99 Cb -0.18 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1x0n s VAL 99 CO -0.09 0.22 0.29 -0.75 0.00 0.00 0.00 175.10 174.76 1x0n s LYS 100 N -1.93 4.08 -0.31 2.72 2.20 -1.02 -0.36 119.74 125.13 1x0n s LYS 100 Ca 0.20 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1x0n s LYS 100 Cb -0.11 -3.58 0.10 0.00 -1.51 0.00 0.00 37.83 32.73 1x0n s LYS 100 CO 0.12 -0.07 0.08 -0.06 -0.36 0.00 0.00 175.35 175.06 1x0n s PHE 101 N 1.43 2.17 0.00 4.03 0.08 -0.83 -3.99 117.98 120.87 1x0n s PHE 101 Ca 0.13 -1.97 0.00 0.00 0.12 0.00 0.00 56.93 55.21 1x0n s PHE 101 Cb -0.15 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.37 1x0n s PHE 101 CO 0.07 -0.88 0.00 0.41 -0.10 0.00 0.00 175.22 174.73 1x0n n GLY 102 N 4.72 2.51 1.92 4.36 0.00 -1.26 -2.48 105.19 114.96 1x0n n GLY 102 Ca -0.02 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 7.01 4.36 -3.70 1.61 3.02 -1.26 -4.88 115.26 121.42 1x0n n ASN 103 Ca 0.00 -3.35 -0.12 0.00 -0.03 0.00 0.00 54.58 51.08 1x0n n ASN 103 Cb 0.00 -0.75 -0.13 0.00 -0.61 0.00 0.00 39.78 38.30 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 -1.28 -0.13 -0.39 6.41 1.01 -1.04 -5.13 116.67 116.14 1x0n s ASP 104 Ca 0.54 0.62 -0.24 0.00 0.71 0.00 0.00 52.55 54.19 1x0n s ASP 104 Cb 0.44 0.59 0.01 0.00 1.01 0.00 0.00 42.92 44.98 1x0n s ASP 104 CO 0.12 -0.19 0.83 -0.69 0.21 0.00 0.00 175.17 175.44 1x0n s VAL 105 N 1.68 4.67 0.59 -1.27 1.01 -1.26 -1.96 120.40 123.85 1x0n s VAL 105 Ca -0.06 0.87 0.02 0.00 0.00 0.00 0.00 61.98 62.82 1x0n s VAL 105 Cb -0.11 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.07 1x0n s VAL 105 CO -0.09 -0.53 0.82 -1.10 0.00 0.00 0.00 175.10 174.19 1x0n s GLN 106 N 3.27 2.30 0.23 2.72 -1.52 0.52 -4.95 119.66 122.23 1x0n s GLN 106 Ca 0.33 -1.02 -0.14 0.00 -1.95 0.00 0.00 55.36 52.57 1x0n s GLN 106 Cb -0.12 -2.49 0.00 0.00 -0.22 0.00 0.00 33.01 30.18 1x0n s GLN 106 CO 0.19 -0.89 0.50 -3.38 -0.25 0.00 0.00 175.29 171.46 1x0n s HIS 107 N -2.81 0.19 -0.15 0.91 -3.43 -1.26 -1.13 115.29 107.61 1x0n s HIS 107 Ca 0.60 -0.57 -0.04 0.00 -0.80 0.00 0.00 55.06 54.26 1x0n s HIS 107 Cb -0.08 0.27 0.07 0.00 -1.43 0.00 0.00 32.58 31.41 1x0n s HIS 107 CO 0.40 -0.98 0.21 -0.06 -2.00 0.00 0.00 174.74 172.30 1x0n s PHE 108 N -3.97 -0.27 -0.27 0.38 0.40 0.01 -4.96 117.98 109.30 1x0n s PHE 108 Ca 0.18 0.52 -0.28 0.00 -0.60 0.00 0.00 56.93 56.74 1x0n s PHE 108 Cb -0.01 -0.26 -0.03 0.00 0.51 0.00 0.00 43.02 43.23 1x0n s PHE 108 CO 0.05 -0.44 1.94 0.15 0.70 0.00 0.00 175.22 177.62 1x0n s LYS 109 N 2.34 3.33 0.07 0.44 -0.14 -1.26 -2.33 119.74 122.19 1x0n s LYS 109 Ca 0.04 1.70 -0.30 0.00 -1.36 0.00 0.00 55.97 56.05 1x0n s LYS 109 Cb -0.14 -4.25 -0.05 0.00 -1.68 0.00 0.00 37.83 31.71 1x0n s LYS 109 CO -0.09 -1.87 1.12 0.08 -0.76 0.00 0.00 175.35 173.83 1x0n s VAL 110 N 7.17 4.21 0.12 3.17 1.01 -1.07 -4.96 120.40 130.06 1x0n s VAL 110 Ca 0.87 1.66 0.06 0.00 0.00 0.00 0.00 61.98 64.56 1x0n s VAL 110 Cb -0.27 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1x0n s VAL 110 CO 0.34 0.17 -0.01 -0.76 0.00 0.00 0.00 175.10 174.84 1x0n s LEU 111 N 0.71 3.38 0.09 3.92 2.01 -0.87 -4.59 118.68 123.33 1x0n s LEU 111 Ca 0.55 -0.26 -0.13 0.00 0.01 0.00 0.00 54.13 54.29 1x0n s LEU 111 Cb -0.27 -2.09 0.02 0.00 0.01 0.00 0.00 46.19 43.86 1x0n s LEU 111 CO 0.30 0.15 0.31 0.00 1.01 0.00 0.00 176.35 178.12 1x0n s ARG 112 N -2.50 0.93 0.72 1.70 3.03 -1.26 -0.37 118.95 121.20 1x0n s ARG 112 Ca 0.26 -0.71 -0.06 0.00 2.03 0.00 0.00 55.73 57.25 1x0n s ARG 112 Cb -0.11 0.40 0.08 0.00 -1.03 0.00 0.00 34.95 34.29 1x0n s ARG 112 CO 0.18 -0.33 1.03 -0.51 -1.13 0.00 0.00 175.30 174.54 1x0n s ASP 113 N -2.58 4.59 -0.06 -2.89 1.01 -0.30 -4.95 116.67 111.49 1x0n s ASP 113 Ca 0.01 0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.55 1x0n s ASP 113 Cb 0.02 -0.84 0.06 0.00 1.01 0.00 0.00 42.92 43.17 1x0n s ASP 113 CO -0.09 -1.73 1.53 0.61 0.21 0.00 0.00 175.17 175.70 1x0n n GLY 114 N -2.96 2.53 0.00 0.21 0.00 -1.26 -3.48 105.19 100.23 1x0n n GLY 114 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.78 1.95 0.00 4.61 0.00 -1.26 -5.05 120.51 121.53 1x0n n ALA 115 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1x0n n ALA 115 Cb 0.57 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 2.26 0.24 3.35 0.00 0.00 -1.23 -5.15 105.19 104.66 1x0n n GLY 116 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1x0n n GLY 116 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x0n s LYS 117 N 0.00 2.85 0.22 1.61 2.47 -1.26 -4.75 119.74 120.87 1x0n s LYS 117 Ca 0.00 -0.78 0.06 0.00 -1.56 0.00 0.00 55.97 53.69 1x0n s LYS 117 Cb 0.00 -2.38 -0.04 0.00 -1.46 0.00 0.00 37.83 33.96 1x0n s LYS 117 CO 0.00 0.37 0.21 0.71 0.16 0.00 0.00 175.35 176.81 1x0n s TYR 118 N -0.11 3.21 0.03 4.03 2.02 -0.26 -1.15 117.35 125.12 1x0n s TYR 118 Ca -0.03 -0.05 -0.29 0.00 -0.37 0.00 0.00 57.07 56.33 1x0n s TYR 118 Cb -0.14 -1.48 0.10 0.00 -0.40 0.00 0.00 41.96 40.04 1x0n s TYR 118 CO 0.04 0.51 1.11 -0.59 -1.57 0.00 0.00 175.55 175.04 1x0n s PHE 119 N -1.97 -0.12 0.00 2.71 -0.12 0.50 -0.36 117.98 118.62 1x0n s PHE 119 Ca 0.33 -0.06 0.00 0.00 -0.05 0.00 0.00 56.93 57.14 1x0n s PHE 119 Cb -0.09 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 42.88 1x0n s PHE 119 CO 0.25 -0.52 0.00 -0.11 -0.05 0.00 0.00 175.22 174.80 1x0n n LEU 120 N -0.42 0.00 -0.02 -1.99 7.94 -1.14 -2.04 117.00 119.33 1x0n n LEU 120 Ca -0.07 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.81 1x0n n LEU 120 Cb 0.61 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.56 1x0n n LEU 120 CO 0.12 -0.11 -0.15 0.79 -1.11 0.00 0.00 177.39 176.93 1x0n n TRP 121 N -1.34 0.06 0.00 1.96 7.02 -1.26 -4.86 117.44 119.02 1x0n n TRP 121 Ca 0.00 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 1x0n n TRP 121 Cb 0.00 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 28.70 1x0n n TRP 121 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1x0n n VAL 122 N -2.96 0.00 -2.78 -0.99 0.24 -1.26 -5.08 118.33 105.51 1x0n n VAL 122 Ca -0.03 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.93 1x0n n VAL 122 Cb 0.11 -0.41 -0.06 0.00 -1.47 0.00 0.00 33.84 32.01 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 -1.44 4.27 0.26 3.34 0.11 -1.26 -5.07 120.40 120.61 1x0n s VAL 123 Ca 0.00 1.56 0.02 0.00 -2.93 0.00 0.00 61.98 60.63 1x0n s VAL 123 Cb 0.00 -3.72 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 1x0n s VAL 123 CO 0.00 -0.16 0.16 -1.59 -3.33 0.00 0.00 175.10 170.18 1x0n s LYS 124 N -2.82 1.44 0.28 1.54 -2.85 -1.26 -2.88 119.74 113.19 1x0n s LYS 124 Ca 0.59 -1.80 -0.19 0.00 -1.00 0.00 0.00 55.97 53.57 1x0n s LYS 124 Cb -0.13 0.10 0.02 0.00 -2.06 0.00 0.00 37.83 35.76 1x0n s LYS 124 CO 0.17 -0.44 0.67 -0.06 0.10 0.00 0.00 175.35 175.79 1x0n s PHE 125 N -3.82 -0.03 -0.11 1.78 0.40 0.52 -4.96 117.98 111.76 1x0n s PHE 125 Ca 0.38 -0.43 -0.15 0.00 -0.60 0.00 0.00 56.93 56.14 1x0n s PHE 125 Cb 0.06 0.59 -0.13 0.00 0.51 0.00 0.00 43.02 44.05 1x0n s PHE 125 CO 0.17 -1.21 0.43 -0.91 0.70 0.00 0.00 175.22 174.40 1x0n h ASN 126 N 2.06 -0.02 -2.46 1.36 2.35 -1.86 -0.69 115.58 116.32 1x0n h ASN 126 Ca -0.22 -0.47 -0.57 0.00 -0.55 0.00 0.00 56.30 54.49 1x0n h ASN 126 Cb 1.25 0.01 -0.10 0.00 0.05 0.00 0.00 38.32 39.53 1x0n h ASN 126 CO 0.27 0.70 -0.64 -0.94 -1.65 0.00 0.00 177.43 175.17 1x0n s SER 127 N -5.83 4.72 0.58 5.81 1.04 -1.26 -4.41 113.70 114.35 1x0n s SER 127 Ca -0.10 -0.51 0.32 0.00 0.48 0.00 0.00 55.95 56.14 1x0n s SER 127 Cb -0.01 -0.96 1.76 0.00 0.10 0.00 0.00 66.02 66.91 1x0n s SER 127 CO 0.35 0.03 2.19 -0.07 0.98 0.00 0.00 173.24 176.72 1x0n h LEU 128 N 2.16 0.00 -1.51 2.42 3.38 -1.97 -2.09 115.31 117.70 1x0n h LEU 128 Ca -0.46 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.55 1x0n h LEU 128 Cb 1.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1x0n h LEU 128 CO 0.59 0.05 0.37 -0.55 0.09 0.00 0.00 178.44 178.99 1x0n h ASN 129 N 0.00 0.55 0.54 -0.43 -1.07 -2.00 0.11 115.58 113.27 1x0n h ASN 129 Ca -0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 1x0n h ASN 129 Cb 0.17 -0.13 -0.00 0.00 -2.07 0.00 0.00 38.32 36.29 1x0n h ASN 129 CO 0.01 0.38 -0.08 -0.33 0.07 0.00 0.00 177.43 177.48 1x0n h GLU 130 N 0.64 0.00 0.03 4.14 4.39 -1.79 -2.74 114.58 119.24 1x0n h GLU 130 Ca 0.23 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1x0n h GLU 130 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1x0n h GLU 130 CO -0.06 0.08 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.79 1x0n h LEU 131 N 0.00 -0.03 -0.87 1.33 4.07 -1.11 -0.97 115.31 117.73 1x0n h LEU 131 Ca -0.00 -0.33 0.19 0.00 0.08 0.00 0.00 57.88 57.82 1x0n h LEU 131 Cb 0.37 0.01 -0.11 0.00 1.08 0.00 0.00 40.66 42.01 1x0n h LEU 131 CO 0.01 0.62 0.38 -0.37 -1.08 0.00 0.00 178.44 178.01 1x0n h VAL 132 N -1.00 0.56 0.13 1.22 -1.51 -1.44 -0.52 116.25 113.69 1x0n h VAL 132 Ca -0.00 -0.16 -0.01 0.00 -1.23 0.00 0.00 66.70 65.30 1x0n h VAL 132 Cb 0.36 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.58 1x0n h VAL 132 CO 0.01 0.08 -0.06 -0.78 -1.23 0.00 0.00 177.57 175.59 1x0n h ASP 133 N 0.45 -0.15 -0.86 4.19 3.58 -1.61 -0.89 116.42 121.13 1x0n h ASP 133 Ca 0.52 0.01 0.26 0.00 0.42 0.00 0.00 57.03 58.24 1x0n h ASP 133 Cb 0.90 0.04 -0.16 0.00 1.72 0.00 0.00 39.33 41.83 1x0n h ASP 133 CO -0.48 0.19 0.12 0.00 -2.88 0.00 0.00 179.24 176.19 1x0n n TYR 134 N -4.11 0.65 0.06 0.28 4.19 -0.37 0.24 117.16 118.10 1x0n n TYR 134 Ca -0.02 1.03 -0.09 0.00 3.31 0.00 0.00 57.90 62.13 1x0n n TYR 134 Cb 0.07 -1.21 -0.12 0.00 0.49 0.00 0.00 39.34 38.56 1x0n n TYR 134 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1x0n h HIS 135 N 0.00 0.09 -0.44 2.98 3.86 -1.20 -0.20 115.15 120.24 1x0n h HIS 135 Ca 0.57 -0.07 0.13 0.00 -1.16 0.00 0.00 60.37 59.84 1x0n h HIS 135 Cb 1.27 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.72 1x0n h HIS 135 CO -0.34 1.06 0.35 -0.09 0.86 0.00 0.00 177.93 179.76 1x0n h ARG 136 N 0.01 0.00 0.00 2.45 2.43 0.45 -2.23 114.38 117.49 1x0n h ARG 136 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1x0n h ARG 136 Cb 1.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.37 1x0n h ARG 136 CO 0.14 0.00 -1.30 0.45 -1.51 0.00 0.00 179.97 177.75 1x0n n SER 137 N -4.22 3.25 -4.54 -3.80 2.88 -0.73 -4.13 113.62 102.33 1x0n n SER 137 Ca 0.08 -0.02 -0.33 0.00 -1.33 0.00 0.00 58.87 57.27 1x0n n SER 137 Cb 0.55 1.32 -0.12 0.00 -0.75 0.00 0.00 64.21 65.22 1x0n n SER 137 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1x0n s THR 138 N -2.48 3.39 1.03 2.46 2.01 -0.09 -5.06 115.64 116.90 1x0n s THR 138 Ca -0.03 -0.74 -0.23 0.00 0.31 0.00 0.00 61.69 61.00 1x0n s THR 138 Cb 0.05 -2.41 -0.09 0.00 0.01 0.00 0.00 72.50 70.06 1x0n s THR 138 CO 0.30 0.49 -0.90 -1.54 -0.69 0.00 0.00 174.62 172.28 1x0n n SER 139 N 1.92 -3.20 0.00 3.53 3.41 -1.26 -4.24 113.62 113.78 1x0n n SER 139 Ca -0.17 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1x0n n SER 139 Cb 0.52 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1x0n n SER 139 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1x0n n VAL 140 N -3.63 0.00 -2.97 -3.33 3.14 -1.26 -4.78 118.33 105.51 1x0n n VAL 140 Ca -0.01 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 1x0n n VAL 140 Cb 0.68 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.41 1x0n n VAL 140 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1x0n s SER 141 N -0.92 6.94 0.00 6.55 0.15 -1.26 -4.93 113.70 120.23 1x0n s SER 141 Ca 0.00 1.14 0.31 0.00 0.70 0.00 0.00 55.95 58.11 1x0n s SER 141 Cb 0.00 -2.43 1.75 0.00 -1.71 0.00 0.00 66.02 63.63 1x0n s SER 141 CO 0.00 -0.27 2.15 0.54 1.20 0.00 0.00 173.24 176.85 1x0n n ARG 142 N 4.64 0.96 -0.09 5.44 3.00 -1.26 -3.82 116.66 125.53 1x0n n ARG 142 Ca 0.02 -0.09 -0.14 0.00 -0.01 0.00 0.00 57.85 57.62 1x0n n ARG 142 Cb 0.50 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.39 1x0n n ARG 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1x0n n ASN 143 N -0.94 1.85 -2.08 0.55 4.13 -1.26 -5.05 115.26 112.46 1x0n n ASN 143 Ca 0.22 0.51 -0.07 0.00 1.68 0.00 0.00 54.58 56.91 1x0n n ASN 143 Cb 0.16 -0.90 -0.02 0.00 -1.54 0.00 0.00 39.78 37.47 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 -4.50 0.63 -3.14 3.52 3.00 -1.25 -5.08 117.38 110.56 1x0n n GLN 144 Ca -0.22 -1.07 -0.42 0.00 -0.01 0.00 0.00 57.00 55.28 1x0n n GLN 144 Cb 0.51 0.66 -0.00 0.00 0.00 0.00 0.00 30.24 31.41 1x0n n GLN 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1x0n n GLN 145 N -0.26 4.06 -4.39 -1.09 10.64 -1.26 -4.46 117.38 120.62 1x0n n GLN 145 Ca -0.01 -4.54 -0.28 0.00 -1.83 0.00 0.00 57.00 50.34 1x0n n GLN 145 Cb 0.19 -2.50 -0.12 0.00 -0.86 0.00 0.00 30.24 26.95 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 -2.36 2.38 0.43 -0.39 1.01 -1.26 -5.10 121.20 115.91 1x0n s ILE 146 Ca 0.31 -1.85 0.07 0.00 0.00 0.00 0.00 60.65 59.18 1x0n s ILE 146 Cb 0.01 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1x0n s ILE 146 CO 0.04 -0.00 0.22 -0.36 0.00 0.00 0.00 174.94 174.84 1x0n s PHE 147 N -1.35 2.53 -0.50 3.97 0.08 -1.26 -4.04 117.98 117.40 1x0n s PHE 147 Ca 0.18 -0.61 -0.29 0.00 0.12 0.00 0.00 56.93 56.33 1x0n s PHE 147 Cb -0.09 -1.98 0.03 0.00 -0.57 0.00 0.00 43.02 40.41 1x0n s PHE 147 CO 0.08 0.10 1.23 -0.51 -0.10 0.00 0.00 175.22 176.01 1x0n s LEU 148 N -3.96 3.56 -0.37 -0.37 1.43 -1.19 -4.68 118.68 113.09 1x0n s LEU 148 Ca 0.40 0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 53.72 1x0n s LEU 148 Cb 0.02 -3.41 0.01 0.00 0.03 0.00 0.00 46.19 42.84 1x0n s LEU 148 CO 0.23 -1.39 0.65 -0.60 0.23 0.00 0.00 176.35 175.47 1x0n s ARG 149 N 4.77 3.61 -0.31 1.70 6.06 0.50 -4.33 118.95 130.94 1x0n s ARG 149 Ca 0.49 -0.00 -0.40 0.00 -2.50 0.00 0.00 55.73 53.32 1x0n s ARG 149 Cb -0.09 -3.84 -0.15 0.00 0.06 0.00 0.00 34.95 30.94 1x0n s ARG 149 CO 0.30 -0.80 1.84 -0.25 -2.50 0.00 0.00 175.30 173.88 1x0n n ASP 150 N 6.13 2.22 -4.76 -2.12 8.00 -1.26 -2.97 116.55 121.79 1x0n n ASP 150 Ca -0.01 0.95 -0.34 0.00 0.71 0.00 0.00 54.79 56.10 1x0n n ASP 150 Cb 0.48 -1.14 0.04 0.00 -0.02 0.00 0.00 41.12 40.48 1x0n n ASP 150 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1x0n s ILE 151 N 4.28 3.05 -0.42 0.53 2.07 -1.26 -4.91 121.20 124.54 1x0n s ILE 151 Ca 1.02 0.56 -0.08 0.00 -1.41 0.00 0.00 60.65 60.73 1x0n s ILE 151 Cb -1.08 -3.13 0.09 0.00 0.13 0.00 0.00 42.46 38.47 1x0n s ILE 151 CO 0.64 -0.23 0.26 -1.61 -1.91 0.00 0.00 174.94 172.09 1x0n s GLU 152 N -3.73 2.53 1.10 3.50 2.02 -1.26 -4.59 118.70 118.28 1x0n s GLU 152 Ca 0.71 -1.53 -0.18 0.00 0.02 0.00 0.00 54.97 53.99 1x0n s GLU 152 Cb -0.24 -3.77 0.10 0.00 0.10 0.00 0.00 34.13 30.33 1x0n s GLU 152 CO 0.36 -0.99 0.07 0.94 0.02 0.00 0.00 175.26 175.66 1x0n n GLN 153 N 4.88 -1.49 -1.30 1.61 -0.06 -1.26 -4.74 117.38 115.02 1x0n n GLN 153 Ca -0.09 -0.41 -0.49 0.00 -2.00 0.00 0.00 57.00 54.00 1x0n n GLN 153 Cb 0.42 -1.73 -0.06 0.00 -4.06 0.00 0.00 30.24 24.82 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 -4.36 0.58 -2.26 1.69 3.14 -1.26 -4.86 118.33 111.00 1x0n n VAL 154 Ca 0.01 -0.14 -0.36 0.00 -2.96 0.00 0.00 64.34 60.89 1x0n n VAL 154 Cb 0.61 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.39 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 -0.29 3.59 -0.48 1.45 0.04 -1.26 -5.03 135.00 133.03 1x0n s PRO 155 Ca 0.73 1.71 0.06 0.00 0.04 0.00 0.00 61.00 63.54 1x0n s PRO 155 Cb -1.02 -2.24 0.18 0.00 0.04 0.00 0.00 34.50 31.45 1x0n s PRO 155 CO 0.50 -0.67 0.61 -1.14 0.04 0.00 0.00 177.00 176.34 1x0n s GLN 156 N -2.93 1.00 0.03 4.56 0.74 -1.26 -5.14 119.66 116.66 1x0n s GLN 156 Ca 0.67 -1.29 -0.22 0.00 0.05 0.00 0.00 55.36 54.58 1x0n s GLN 156 Cb -0.27 -0.43 0.05 0.00 1.10 0.00 0.00 33.01 33.47 1x0n s GLN 156 CO 0.32 -1.33 0.50 -0.65 -0.55 0.00 0.00 175.29 173.57 1x0n s GLN 157 N 0.74 0.99 1.11 1.67 -0.21 -1.26 -5.18 119.66 117.52 1x0n s GLN 157 Ca 0.29 -0.20 -0.16 0.00 0.02 0.00 0.00 55.36 55.31 1x0n s GLN 157 Cb 0.00 0.45 0.24 0.00 1.00 0.00 0.00 33.01 34.71 1x0n s GLN 157 CO -0.09 -0.34 1.10 -1.25 -2.12 0.00 0.00 175.29 172.59 1x0n s PRO 158 N -2.24 -0.50 0.00 2.91 0.04 -1.26 -5.34 135.00 128.61 1x0n s PRO 158 Ca -0.06 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.17 1x0n s PRO 158 Cb -0.01 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.87 1x0n s PRO 158 CO -0.00 -3.28 0.00 0.25 0.04 0.00 0.00 177.00 174.00