#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 1.52 -0.05 5.87 5.36 -1.26 -0.41 117.98 129.01 1x0n s PHE 61 Ca 0.00 -0.49 -0.01 0.00 -0.96 0.00 0.00 56.93 55.47 1x0n s PHE 61 Cb 0.00 -0.81 0.03 0.00 -0.34 0.00 0.00 43.02 41.90 1x0n s PHE 61 CO 0.00 0.17 0.02 -0.06 -1.46 0.00 0.00 175.22 173.89 1x0n s PHE 62 N -1.74 0.37 0.00 10.12 0.40 0.19 -4.84 117.98 122.47 1x0n s PHE 62 Ca 0.07 0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.42 1x0n s PHE 62 Cb -0.07 -0.56 0.00 0.00 0.51 0.00 0.00 43.02 42.90 1x0n s PHE 62 CO 0.04 -0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.16 1x0n n GLY 63 N 4.77 -0.08 2.76 4.36 0.00 -1.26 -2.81 105.19 112.92 1x0n n GLY 63 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 0.80 -0.01 1.61 -0.14 -1.26 -2.58 119.74 118.16 1x0n s LYS 64 Ca 0.00 -0.91 0.02 0.00 -1.36 0.00 0.00 55.97 53.73 1x0n s LYS 64 Cb 0.00 -2.09 -0.01 0.00 -1.68 0.00 0.00 37.83 34.05 1x0n s LYS 64 CO 0.00 -0.86 -0.08 0.96 -0.76 0.00 0.00 175.35 174.61 1x0n s ILE 65 N 1.65 0.63 0.34 2.17 -4.36 -1.26 -5.07 121.20 115.29 1x0n s ILE 65 Ca 0.05 -0.36 -0.28 0.00 -0.26 0.00 0.00 60.65 59.81 1x0n s ILE 65 Cb -0.17 -0.53 -0.10 0.00 1.25 0.00 0.00 42.46 42.91 1x0n s ILE 65 CO -0.19 0.17 1.21 -2.16 0.24 0.00 0.00 174.94 174.21 1x0n s PRO 66 N -0.21 4.33 0.23 0.37 0.04 -1.26 -4.80 135.00 133.70 1x0n s PRO 66 Ca 0.03 2.00 0.08 0.00 0.04 0.00 0.00 61.00 63.14 1x0n s PRO 66 Cb -0.03 -2.98 0.70 0.00 0.04 0.00 0.00 34.50 32.23 1x0n s PRO 66 CO -0.00 -0.13 1.05 2.89 0.04 0.00 0.00 177.00 180.85 1x0n n ARG 67 N 0.68 -0.05 0.28 4.56 1.85 -1.26 0.76 116.66 123.48 1x0n n ARG 67 Ca 0.01 0.96 -0.18 0.00 -1.00 0.00 0.00 57.85 57.65 1x0n n ARG 67 Cb 0.44 -1.63 -0.09 0.00 -1.05 0.00 0.00 32.46 30.13 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 1.34 -1.07 -0.77 2.89 0.00 -2.01 -2.50 119.26 117.15 1x0n h ALA 68 Ca 0.49 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.40 1x0n h ALA 68 Cb 1.16 0.69 -0.12 0.00 0.00 0.00 0.00 17.79 19.52 1x0n h ALA 68 CO -0.57 -1.14 0.12 -0.22 0.00 0.00 0.00 179.25 177.44 1x0n h LYS 69 N -0.96 0.18 -0.37 0.00 1.63 0.00 -0.57 116.57 116.48 1x0n h LYS 69 Ca -0.05 -0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.82 1x0n h LYS 69 Cb 0.84 -0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 32.34 1x0n h LYS 69 CO -0.07 0.12 -0.25 0.00 -3.45 0.00 0.00 179.45 175.80 1x0n h ALA 70 N 1.68 -0.04 -0.04 5.00 0.00 -1.06 0.29 119.26 125.09 1x0n h ALA 70 Ca 0.44 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.48 1x0n h ALA 70 Cb 0.79 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1x0n h ALA 70 CO -0.60 -0.64 0.03 0.93 0.00 0.00 0.00 179.25 178.98 1x0n h GLU 71 N -0.20 0.00 -0.03 0.00 4.39 -0.79 -2.10 114.58 115.86 1x0n h GLU 71 Ca 0.18 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.74 1x0n h GLU 71 Cb 0.48 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1x0n h GLU 71 CO -0.49 0.00 -0.54 0.93 -1.16 0.00 0.00 179.01 177.75 1x0n h GLU 72 N 0.00 0.42 -0.87 2.33 4.39 0.04 0.88 114.58 121.77 1x0n h GLU 72 Ca 0.02 -0.41 0.02 0.00 0.34 0.00 0.00 59.36 59.33 1x0n h GLU 72 Cb 0.08 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 1x0n h GLU 72 CO -0.00 1.07 0.57 0.52 -1.16 0.00 0.00 179.01 180.01 1x0n h MET 73 N -0.08 1.09 0.23 2.33 2.86 -0.09 -0.10 114.93 121.17 1x0n h MET 73 Ca -0.06 -0.07 -0.33 0.00 -2.06 0.00 0.00 59.70 57.18 1x0n h MET 73 Cb 1.23 -0.25 0.03 0.00 0.06 0.00 0.00 31.60 32.67 1x0n h MET 73 CO 0.11 0.72 -1.51 -0.07 1.06 0.00 0.00 176.91 177.22 1x0n h LEU 74 N 1.12 0.76 -0.79 1.22 3.38 -1.45 -3.30 115.31 116.26 1x0n h LEU 74 Ca 0.33 -0.93 0.03 0.00 0.09 0.00 0.00 57.88 57.40 1x0n h LEU 74 Cb -0.05 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 1x0n h LEU 74 CO -0.09 1.71 0.50 0.28 0.09 0.00 0.00 178.44 180.94 1x0n h SER 75 N 0.09 0.84 0.08 -0.43 0.02 -0.53 -0.83 113.55 112.79 1x0n h SER 75 Ca -0.27 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1x0n h SER 75 Cb 2.11 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 64.46 1x0n h SER 75 CO 0.24 0.59 -0.03 0.07 -1.14 0.00 0.00 176.83 176.56 1x0n h LYS 76 N 0.99 0.00 -7.06 3.45 2.10 -1.13 -3.43 116.57 111.49 1x0n h LYS 76 Ca 0.31 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 58.52 1x0n h LYS 76 Cb -0.02 0.00 0.22 0.00 -0.90 0.00 0.00 32.23 31.53 1x0n h LYS 76 CO -0.10 0.03 -0.16 1.04 -2.00 0.00 0.00 179.45 178.26 1x0n n GLN 77 N -3.79 -2.49 -0.02 0.07 1.13 -0.32 -4.98 117.38 106.98 1x0n n GLN 77 Ca -0.03 -0.70 0.03 0.00 -1.94 0.00 0.00 57.00 54.37 1x0n n GLN 77 Cb 0.11 -2.10 -0.10 0.00 0.11 0.00 0.00 30.24 28.26 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 -4.67 0.83 -0.05 -1.09 5.12 -1.26 -5.01 116.66 110.52 1x0n n ARG 78 Ca 0.02 -0.09 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1x0n n ARG 78 Cb 0.55 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 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 -2.08 -1.72 -3.67 -1.55 8.25 -1.26 -5.10 115.22 108.09 1x0n n HIS 79 Ca -0.07 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.17 1x0n n HIS 79 Cb 0.49 0.00 -0.18 0.00 1.12 0.00 0.00 29.99 31.42 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 -1.00 1.49 0.00 0.41 1.01 -1.26 -4.83 116.67 112.49 1x0n s ASP 80 Ca 0.00 -0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.15 1x0n s ASP 80 Cb 0.00 -0.21 0.00 0.00 1.01 0.00 0.00 42.92 43.72 1x0n s ASP 80 CO 0.00 -0.27 0.00 0.61 0.21 0.00 0.00 175.17 175.72 1x0n n GLY 81 N 5.27 1.63 3.70 0.21 0.00 -1.19 -4.51 105.19 110.31 1x0n n GLY 81 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.85 2.44 -2.72 4.61 0.00 -1.26 -0.36 120.51 122.37 1x0n n ALA 82 Ca 0.00 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.51 1x0n n ALA 82 Cb 0.00 -2.51 -0.08 0.00 0.00 0.00 0.00 19.45 16.86 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 1.48 3.13 -0.25 0.00 -0.12 -1.15 -1.76 117.98 119.31 1x0n s PHE 83 Ca 0.77 0.09 -0.04 0.00 -0.05 0.00 0.00 56.93 57.70 1x0n s PHE 83 Cb -0.53 -1.66 0.13 0.00 -0.63 0.00 0.00 43.02 40.33 1x0n s PHE 83 CO 0.34 0.49 0.46 -1.17 -0.05 0.00 0.00 175.22 175.30 1x0n s LEU 84 N -1.84 -0.83 -0.37 -1.99 0.20 -0.44 -3.94 118.68 109.47 1x0n s LEU 84 Ca 0.23 0.72 -0.19 0.00 0.69 0.00 0.00 54.13 55.58 1x0n s LEU 84 Cb -0.12 1.50 0.00 0.00 -0.43 0.00 0.00 46.19 47.15 1x0n s LEU 84 CO 0.14 -0.26 0.57 -0.63 -0.29 0.00 0.00 176.35 175.88 1x0n s ILE 85 N 2.66 4.95 0.13 6.68 1.01 0.45 -0.50 121.20 136.58 1x0n s ILE 85 Ca 0.08 0.38 0.06 0.00 0.00 0.00 0.00 60.65 61.17 1x0n s ILE 85 Cb -0.14 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1x0n s ILE 85 CO -0.16 -0.31 0.02 0.00 0.00 0.00 0.00 174.94 174.49 1x0n s ARG 86 N 2.55 2.54 -0.04 2.79 1.70 -0.38 -0.64 118.95 127.48 1x0n s ARG 86 Ca 0.21 -0.95 0.00 0.00 -0.47 0.00 0.00 55.73 54.53 1x0n s ARG 86 Cb -0.15 -2.48 -0.03 0.00 -0.57 0.00 0.00 34.95 31.71 1x0n s ARG 86 CO 0.15 0.50 -0.01 -2.00 -1.08 0.00 0.00 175.30 172.86 1x0n s GLU 87 N -2.68 2.85 0.78 3.89 2.12 -1.06 -2.19 118.70 122.40 1x0n s GLU 87 Ca 0.27 -0.54 -0.11 0.00 0.36 0.00 0.00 54.97 54.95 1x0n s GLU 87 Cb -0.10 -2.70 0.06 0.00 0.26 0.00 0.00 34.13 31.64 1x0n s GLU 87 CO 0.19 0.65 1.08 -1.12 -0.54 0.00 0.00 175.26 175.53 1x0n s SER 88 N -1.27 4.56 -0.21 -1.70 0.01 -1.23 -4.41 113.70 109.46 1x0n s SER 88 Ca 0.17 1.61 0.04 0.00 1.31 0.00 0.00 55.95 59.08 1x0n s SER 88 Cb -0.11 -2.36 -0.21 0.00 0.21 0.00 0.00 66.02 63.55 1x0n s SER 88 CO 0.07 -1.97 0.00 -1.84 0.41 0.00 0.00 173.24 169.91 1x0n n GLU 89 N -3.46 0.68 -0.12 12.44 0.28 -1.26 -4.36 120.64 124.83 1x0n n GLU 89 Ca 0.08 0.15 0.11 0.00 -0.16 0.00 0.00 57.16 57.34 1x0n n GLU 89 Cb 0.54 -1.57 0.16 0.00 1.43 0.00 0.00 31.44 32.00 1x0n n GLU 89 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1x0n n SER 90 N -3.19 3.14 -3.80 -1.84 7.64 -1.26 -4.77 113.62 109.55 1x0n n SER 90 Ca -0.39 -1.93 -0.30 0.00 1.01 0.00 0.00 58.87 57.26 1x0n n SER 90 Cb 1.04 -0.16 -0.14 0.00 -1.01 0.00 0.00 64.21 63.93 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 -1.49 2.18 0.46 -0.43 0.00 -1.26 -5.12 121.76 116.11 1x0n s ALA 91 Ca 0.32 -2.33 -0.23 0.00 0.00 0.00 0.00 51.96 49.73 1x0n s ALA 91 Cb 0.20 -1.84 -0.07 0.00 0.00 0.00 0.00 23.12 21.41 1x0n s ALA 91 CO 0.28 -1.85 1.16 -1.25 0.00 0.00 0.00 175.76 174.10 1x0n s PRO 92 N 0.84 3.74 -1.78 0.00 0.04 -1.26 -3.14 135.00 133.43 1x0n s PRO 92 Ca 0.14 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1x0n s PRO 92 Cb -0.21 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1x0n s PRO 92 CO -0.10 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.79 1x0n n GLY 93 N 0.43 0.73 3.34 0.56 0.00 -1.26 -4.97 105.19 104.02 1x0n n GLY 93 Ca 0.07 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.49 4.38 -0.04 1.61 2.15 -1.19 -4.98 116.67 116.11 1x0n s ASP 94 Ca 0.00 -0.35 0.04 0.00 0.43 0.00 0.00 52.55 52.67 1x0n s ASP 94 Cb 0.00 -1.74 -0.02 0.00 -0.30 0.00 0.00 42.92 40.85 1x0n s ASP 94 CO 0.00 0.01 -0.16 -0.36 -0.17 0.00 0.00 175.17 174.49 1x0n s PHE 95 N 1.29 2.63 -0.05 -5.34 0.08 -1.26 -3.47 117.98 111.86 1x0n s PHE 95 Ca 0.04 -0.21 -0.02 0.00 0.12 0.00 0.00 56.93 56.86 1x0n s PHE 95 Cb -0.14 -1.60 0.03 0.00 -0.57 0.00 0.00 43.02 40.73 1x0n s PHE 95 CO -0.02 0.15 0.04 -1.54 -0.10 0.00 0.00 175.22 173.75 1x0n s SER 96 N -0.72 1.26 0.04 1.36 1.04 -0.93 -2.54 113.70 113.21 1x0n s SER 96 Ca 0.11 0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.37 1x0n s SER 96 Cb -0.10 -0.23 -0.06 0.00 0.10 0.00 0.00 66.02 65.72 1x0n s SER 96 CO 0.00 -0.23 0.60 -0.22 0.98 0.00 0.00 173.24 174.37 1x0n s LEU 97 N 2.08 4.47 -0.28 2.42 1.98 -1.02 -1.25 118.68 127.08 1x0n s LEU 97 Ca 0.05 1.23 0.03 0.00 -2.89 0.00 0.00 54.13 52.55 1x0n s LEU 97 Cb -0.12 -2.94 0.07 0.00 0.66 0.00 0.00 46.19 43.86 1x0n s LEU 97 CO -0.04 0.17 -0.05 -0.44 -1.89 0.00 0.00 176.35 174.10 1x0n s SER 98 N -0.58 4.45 -0.10 3.68 0.01 0.35 -0.65 113.70 120.85 1x0n s SER 98 Ca 0.31 -1.60 -0.02 0.00 1.31 0.00 0.00 55.95 55.95 1x0n s SER 98 Cb -0.19 -1.50 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 1x0n s SER 98 CO 0.19 -0.26 -0.03 -0.69 0.41 0.00 0.00 173.24 172.86 1x0n s VAL 99 N 1.10 4.02 0.14 3.43 1.01 -0.07 -1.32 120.40 128.70 1x0n s VAL 99 Ca -0.02 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 1x0n s VAL 99 Cb -0.19 -2.70 -0.08 0.00 0.00 0.00 0.00 36.38 33.41 1x0n s VAL 99 CO -0.07 0.57 0.71 -0.75 0.00 0.00 0.00 175.10 175.56 1x0n s LYS 100 N -0.49 4.45 -0.36 2.72 2.20 -0.72 -0.38 119.74 127.16 1x0n s LYS 100 Ca 0.08 1.03 -0.00 0.00 -0.36 0.00 0.00 55.97 56.71 1x0n s LYS 100 Cb -0.12 -3.25 0.13 0.00 -1.51 0.00 0.00 37.83 33.07 1x0n s LYS 100 CO 0.02 0.59 0.19 -0.06 -0.36 0.00 0.00 175.35 175.73 1x0n s PHE 101 N -1.13 1.12 0.00 4.03 0.08 0.21 -3.14 117.98 119.15 1x0n s PHE 101 Ca 0.34 -1.73 0.00 0.00 0.12 0.00 0.00 56.93 55.65 1x0n s PHE 101 Cb -0.22 -1.27 0.00 0.00 -0.57 0.00 0.00 43.02 40.96 1x0n s PHE 101 CO 0.24 -0.82 0.00 0.41 -0.10 0.00 0.00 175.22 174.95 1x0n n GLY 102 N 4.20 2.83 1.22 4.36 0.00 -1.26 -1.45 105.19 115.09 1x0n n GLY 102 Ca 0.07 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1x0n n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x0n n ASN 103 N 9.97 3.63 -3.87 1.61 6.94 -1.26 -4.89 115.26 127.38 1x0n n ASN 103 Ca 0.00 -1.99 -0.18 0.00 -0.02 0.00 0.00 54.58 52.39 1x0n n ASN 103 Cb 0.00 -0.33 -0.16 0.00 -2.36 0.00 0.00 39.78 36.94 1x0n n ASN 103 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1x0n s ASP 104 N -1.33 0.61 -0.14 0.53 1.01 -0.53 -5.14 116.67 111.69 1x0n s ASP 104 Ca 0.42 -0.07 -0.08 0.00 0.71 0.00 0.00 52.55 53.52 1x0n s ASP 104 Cb 0.24 -0.27 -0.04 0.00 1.01 0.00 0.00 42.92 43.85 1x0n s ASP 104 CO 0.32 -0.05 0.16 -0.69 0.21 0.00 0.00 175.17 175.12 1x0n s VAL 105 N 0.75 5.45 0.46 -1.27 1.01 -1.26 -0.62 120.40 124.92 1x0n s VAL 105 Ca -0.09 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.20 1x0n s VAL 105 Cb -0.12 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1x0n s VAL 105 CO -0.01 0.56 0.09 -1.10 0.00 0.00 0.00 175.10 174.65 1x0n s GLN 106 N -0.62 2.13 0.25 2.72 -0.21 0.49 -4.92 119.66 119.51 1x0n s GLN 106 Ca 0.14 -2.12 0.01 0.00 0.02 0.00 0.00 55.36 53.41 1x0n s GLN 106 Cb -0.12 -1.74 -0.04 0.00 1.00 0.00 0.00 33.01 32.11 1x0n s GLN 106 CO 0.03 -0.22 0.14 -1.01 -2.12 0.00 0.00 175.29 172.11 1x0n s HIS 107 N -2.74 1.42 -0.10 0.91 3.76 -1.26 -0.89 115.29 116.38 1x0n s HIS 107 Ca 0.27 -1.35 -0.04 0.00 -0.15 0.00 0.00 55.06 53.79 1x0n s HIS 107 Cb 0.05 -0.74 0.05 0.00 1.11 0.00 0.00 32.58 33.05 1x0n s HIS 107 CO 0.15 -0.55 0.19 -0.06 -0.85 0.00 0.00 174.74 173.61 1x0n s PHE 108 N -3.85 -0.23 -0.23 1.40 0.40 0.17 -4.94 117.98 110.70 1x0n s PHE 108 Ca 0.38 0.66 -0.29 0.00 -0.60 0.00 0.00 56.93 57.08 1x0n s PHE 108 Cb 0.06 -0.22 -0.02 0.00 0.51 0.00 0.00 43.02 43.35 1x0n s PHE 108 CO 0.15 -0.31 1.57 0.15 0.70 0.00 0.00 175.22 177.48 1x0n s LYS 109 N 2.32 3.83 -0.02 0.44 -0.14 -1.26 -2.42 119.74 122.49 1x0n s LYS 109 Ca 0.03 1.62 -0.30 0.00 -1.36 0.00 0.00 55.97 55.96 1x0n s LYS 109 Cb -0.12 -4.01 -0.03 0.00 -1.68 0.00 0.00 37.83 31.98 1x0n s LYS 109 CO -0.07 -1.25 1.09 0.08 -0.76 0.00 0.00 175.35 174.44 1x0n s VAL 110 N 5.04 4.51 -0.03 3.17 1.01 -1.05 -4.94 120.40 128.12 1x0n s VAL 110 Ca 0.69 1.80 -0.16 0.00 0.00 0.00 0.00 61.98 64.32 1x0n s VAL 110 Cb -0.24 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1x0n s VAL 110 CO 0.28 0.08 0.42 -0.76 0.00 0.00 0.00 175.10 175.13 1x0n s LEU 111 N 1.48 4.43 -0.04 3.92 2.01 -0.76 -4.67 118.68 125.05 1x0n s LEU 111 Ca 0.54 0.93 0.02 0.00 0.01 0.00 0.00 54.13 55.63 1x0n s LEU 111 Cb -0.23 -2.61 0.01 0.00 0.01 0.00 0.00 46.19 43.36 1x0n s LEU 111 CO 0.25 0.25 -0.08 -0.13 1.01 0.00 0.00 176.35 177.65 1x0n s ARG 112 N -0.67 1.05 0.28 1.70 0.52 -1.26 -1.07 118.95 119.50 1x0n s ARG 112 Ca 0.24 -0.26 -0.15 0.00 -0.52 0.00 0.00 55.73 55.04 1x0n s ARG 112 Cb -0.16 -0.97 0.01 0.00 0.52 0.00 0.00 34.95 34.35 1x0n s ARG 112 CO 0.13 0.04 0.58 0.34 0.02 0.00 0.00 175.30 176.41 1x0n s ASP 113 N 0.49 -0.05 0.00 0.23 2.15 -0.84 -4.95 116.67 113.70 1x0n s ASP 113 Ca -0.08 -0.90 0.00 0.00 0.43 0.00 0.00 52.55 52.00 1x0n s ASP 113 Cb -0.12 0.66 0.00 0.00 -0.30 0.00 0.00 42.92 43.17 1x0n s ASP 113 CO 0.01 -1.27 0.00 0.61 -0.17 0.00 0.00 175.17 174.35 1x0n n GLY 114 N -0.44 1.37 0.00 2.66 0.00 -1.26 -2.87 105.19 104.66 1x0n n GLY 114 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.00 -1.98 4.61 0.00 -1.26 -4.96 120.51 116.92 1x0n n ALA 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x0n n ALA 115 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.98 3.76 0.00 0.00 -1.24 -5.12 105.19 103.57 1x0n n GLY 116 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 4.22 0.27 1.61 -0.14 -1.14 -4.79 119.74 119.77 1x0n s LYS 117 Ca 0.00 0.46 0.06 0.00 -1.36 0.00 0.00 55.97 55.12 1x0n s LYS 117 Cb 0.00 -3.36 -0.03 0.00 -1.68 0.00 0.00 37.83 32.76 1x0n s LYS 117 CO 0.00 0.34 0.35 0.71 -0.76 0.00 0.00 175.35 175.99 1x0n s TYR 118 N 0.04 3.29 -0.10 3.18 2.02 -0.63 -2.00 117.35 123.15 1x0n s TYR 118 Ca 0.25 -0.09 -0.32 0.00 -0.37 0.00 0.00 57.07 56.54 1x0n s TYR 118 Cb -0.16 -1.64 0.12 0.00 -0.40 0.00 0.00 41.96 39.89 1x0n s TYR 118 CO 0.12 0.35 1.06 -0.59 -1.57 0.00 0.00 175.55 174.91 1x0n s PHE 119 N -2.07 -0.23 0.17 2.71 -0.71 -0.23 -0.36 117.98 117.26 1x0n s PHE 119 Ca 0.36 0.15 -0.23 0.00 -1.04 0.00 0.00 56.93 56.18 1x0n s PHE 119 Cb -0.09 0.52 0.07 0.00 -1.21 0.00 0.00 43.02 42.31 1x0n s PHE 119 CO 0.29 -0.36 0.61 -0.48 -1.34 0.00 0.00 175.22 173.93 1x0n s LEU 120 N -2.29 -0.54 0.00 -1.99 -0.00 -0.47 -1.82 118.68 111.57 1x0n s LEU 120 Ca 0.07 -0.06 0.00 0.00 -0.00 0.00 0.00 54.13 54.15 1x0n s LEU 120 Cb -0.01 2.61 0.00 0.00 -0.00 0.00 0.00 46.19 48.79 1x0n s LEU 120 CO -0.07 -1.00 0.00 0.79 -0.00 0.00 0.00 176.35 176.07 1x0n n TRP 121 N -0.39 0.00 -3.16 3.48 7.02 -1.26 -1.39 117.44 121.74 1x0n n TRP 121 Ca -0.16 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.09 1x0n n TRP 121 Cb 0.64 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.47 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 0.00 -0.64 -3.65 -0.99 0.31 -1.26 -5.10 118.33 107.00 1x0n n VAL 122 Ca 0.00 -3.88 -0.01 0.00 -0.01 0.00 0.00 64.34 60.43 1x0n n VAL 122 Cb 0.00 -1.70 -0.04 0.00 -0.91 0.00 0.00 33.84 31.19 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 -1.11 0.00 0.04 2.52 0.11 -0.48 -5.19 120.40 116.29 1x0n s VAL 123 Ca 0.35 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.38 1x0n s VAL 123 Cb 0.18 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1x0n s VAL 123 CO -0.12 0.00 0.01 -1.59 -3.33 0.00 0.00 175.10 170.07 1x0n s LYS 124 N -1.25 0.54 0.38 1.54 0.00 -1.26 -1.36 119.74 118.33 1x0n s LYS 124 Ca 0.10 -0.95 -0.11 0.00 0.00 0.00 0.00 55.97 55.01 1x0n s LYS 124 Cb -0.01 0.20 0.04 0.00 0.00 0.00 0.00 37.83 38.06 1x0n s LYS 124 CO -0.07 -0.11 0.70 -0.06 0.00 0.00 0.00 175.35 175.81 1x0n s PHE 125 N -3.03 0.43 -0.24 1.78 0.08 0.51 -4.97 117.98 112.54 1x0n s PHE 125 Ca -0.01 -0.98 -0.06 0.00 0.12 0.00 0.00 56.93 56.00 1x0n s PHE 125 Cb 0.01 0.57 -0.17 0.00 -0.57 0.00 0.00 43.02 42.86 1x0n s PHE 125 CO -0.07 -1.46 -0.14 0.09 -0.10 0.00 0.00 175.22 173.54 1x0n n ASN 126 N -1.48 1.99 -4.71 1.36 5.03 -1.26 -1.60 115.26 114.59 1x0n n ASN 126 Ca -0.06 0.09 -0.25 0.00 0.87 0.00 0.00 54.58 55.23 1x0n n ASN 126 Cb 0.60 -0.63 -0.07 0.00 -1.02 0.00 0.00 39.78 38.66 1x0n n ASN 126 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1x0n s SER 127 N -6.89 4.97 0.27 6.41 0.15 -1.26 -4.43 113.70 112.91 1x0n s SER 127 Ca -0.34 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 55.95 1x0n s SER 127 Cb 0.10 -1.12 0.37 0.00 -1.71 0.00 0.00 66.02 63.66 1x0n s SER 127 CO 0.59 0.05 1.69 -0.07 1.20 0.00 0.00 173.24 176.70 1x0n h LEU 128 N 2.30 0.49 -1.05 3.45 3.38 -1.94 -2.95 115.31 118.98 1x0n h LEU 128 Ca -0.47 -0.18 0.17 0.00 0.09 0.00 0.00 57.88 57.49 1x0n h LEU 128 Cb 1.22 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.73 1x0n h LEU 128 CO 0.60 0.77 0.62 -1.13 0.09 0.00 0.00 178.44 179.38 1x0n h ASN 129 N 0.42 0.80 -0.14 -0.43 -1.24 -2.00 0.32 115.58 113.31 1x0n h ASN 129 Ca 0.06 0.08 0.04 0.00 0.71 0.00 0.00 56.30 57.18 1x0n h ASN 129 Cb 0.73 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 1x0n h ASN 129 CO 0.06 0.33 0.13 -0.33 -1.29 0.00 0.00 177.43 176.32 1x0n h GLU 130 N 0.80 0.00 0.14 6.67 3.07 -1.94 -1.67 114.58 121.66 1x0n h GLU 130 Ca 0.55 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.21 1x0n h GLU 130 Cb 0.80 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.73 1x0n h GLU 130 CO -0.33 0.00 -0.87 -0.07 -1.40 0.00 0.00 179.01 176.34 1x0n h LEU 131 N 0.00 0.47 -0.17 1.33 4.07 -0.52 -2.54 115.31 117.96 1x0n h LEU 131 Ca 0.07 -0.95 0.03 0.00 0.08 0.00 0.00 57.88 57.11 1x0n h LEU 131 Cb 0.32 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.88 1x0n h LEU 131 CO -0.00 1.42 0.00 0.58 -1.08 0.00 0.00 178.44 179.36 1x0n h VAL 132 N -0.36 0.89 0.30 1.22 2.07 -0.89 -1.23 116.25 118.25 1x0n h VAL 132 Ca -0.16 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1x0n h VAL 132 Cb 1.66 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1x0n h VAL 132 CO 0.15 0.01 -0.14 -0.78 0.02 0.00 0.00 177.57 176.83 1x0n h ASP 133 N 0.06 -0.34 -0.62 0.57 1.82 -1.47 -1.45 116.42 114.99 1x0n h ASP 133 Ca 0.08 -0.16 0.11 0.00 -0.39 0.00 0.00 57.03 56.67 1x0n h ASP 133 Cb 0.09 0.09 -0.12 0.00 0.68 0.00 0.00 39.33 40.07 1x0n h ASP 133 CO -0.13 -0.01 -0.30 0.22 -1.61 0.00 0.00 179.24 177.41 1x0n h TYR 134 N -0.69 -0.80 0.00 0.28 5.03 -1.36 0.70 116.97 120.12 1x0n h TYR 134 Ca -0.04 0.07 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 1x0n h TYR 134 Cb 0.48 0.44 -0.00 0.00 1.55 0.00 0.00 36.73 39.20 1x0n h TYR 134 CO 0.01 -0.36 -0.16 0.45 -1.32 0.00 0.00 178.16 176.78 1x0n h HIS 135 N -0.12 0.00 0.00 -3.82 3.86 -1.23 -1.13 115.15 112.70 1x0n h HIS 135 Ca 0.26 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.44 1x0n h HIS 135 Cb 0.54 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1x0n h HIS 135 CO -0.62 0.16 -0.14 -0.09 0.86 0.00 0.00 177.93 178.09 1x0n h ARG 136 N 0.00 0.00 0.00 2.45 2.43 0.15 -3.09 114.38 116.32 1x0n h ARG 136 Ca -0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.87 1x0n h ARG 136 Cb 0.45 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.94 1x0n h ARG 136 CO 0.02 0.14 -2.29 0.45 -1.51 0.00 0.00 179.97 176.78 1x0n n SER 137 N -3.30 0.03 -4.72 -3.80 2.88 -0.58 -4.48 113.62 99.65 1x0n n SER 137 Ca 0.00 0.01 -0.27 0.00 -1.33 0.00 0.00 58.87 57.29 1x0n n SER 137 Cb 0.38 1.17 -0.07 0.00 -0.75 0.00 0.00 64.21 64.93 1x0n n SER 137 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x0n s THR 138 N -2.70 4.06 1.05 2.46 -1.32 -0.50 -5.10 115.64 113.59 1x0n s THR 138 Ca -0.09 -1.24 -0.21 0.00 -1.21 0.00 0.00 61.69 58.94 1x0n s THR 138 Cb 0.08 -3.04 -0.04 0.00 -1.51 0.00 0.00 72.50 67.98 1x0n s THR 138 CO 0.85 -0.08 -0.62 -0.24 -2.21 0.00 0.00 174.62 172.32 1x0n n SER 139 N -0.12 -2.98 0.00 8.08 2.88 -1.26 -4.64 113.62 115.57 1x0n n SER 139 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1x0n n SER 139 Cb 0.55 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1x0n n SER 139 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1x0n n VAL 140 N -3.79 0.00 -3.21 2.46 0.24 -0.99 -4.89 118.33 108.15 1x0n n VAL 140 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.07 1x0n n VAL 140 Cb 0.66 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 1x0n n VAL 140 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1x0n s SER 141 N -2.95 6.01 -0.26 -1.34 1.04 -1.26 -5.01 113.70 109.93 1x0n s SER 141 Ca 0.00 0.26 0.13 0.00 0.48 0.00 0.00 55.95 56.82 1x0n s SER 141 Cb 0.00 -1.65 0.74 0.00 0.10 0.00 0.00 66.02 65.21 1x0n s SER 141 CO 0.00 -0.52 1.71 0.54 0.98 0.00 0.00 173.24 175.95 1x0n n ARG 142 N -1.91 4.12 0.00 4.02 5.12 -1.26 -4.45 116.66 122.30 1x0n n ARG 142 Ca -0.01 -3.10 0.00 0.00 -1.93 0.00 0.00 57.85 52.81 1x0n n ARG 142 Cb 0.57 -2.17 0.00 0.00 -1.16 0.00 0.00 32.46 29.70 1x0n n ARG 142 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1x0n n ASN 143 N 0.13 0.48 -4.32 0.55 2.85 -1.26 -5.12 115.26 108.56 1x0n n ASN 143 Ca 0.31 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.49 1x0n n ASN 143 Cb 1.21 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 42.16 1x0n n ASN 143 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1x0n n GLN 144 N -2.66 0.64 -3.23 1.20 6.02 -1.26 -5.08 117.38 113.01 1x0n n GLN 144 Ca 0.00 -3.69 -0.44 0.00 -0.01 0.00 0.00 57.00 52.86 1x0n n GLN 144 Cb 0.30 1.53 0.00 0.00 1.02 0.00 0.00 30.24 33.09 1x0n n GLN 144 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x0n n GLN 145 N -1.11 3.85 -3.94 -1.09 10.64 -1.26 -4.29 117.38 120.17 1x0n n GLN 145 Ca -0.13 -4.50 -0.23 0.00 -1.83 0.00 0.00 57.00 50.32 1x0n n GLN 145 Cb 0.65 -2.53 -0.02 0.00 -0.86 0.00 0.00 30.24 27.47 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 -1.82 5.27 0.24 -0.39 1.01 -1.26 -4.98 121.20 119.27 1x0n s ILE 146 Ca 0.31 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 60.12 1x0n s ILE 146 Cb -0.05 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 1x0n s ILE 146 CO -0.02 -0.27 -0.01 -0.36 0.00 0.00 0.00 174.94 174.29 1x0n s PHE 147 N -1.92 1.62 -0.44 3.97 0.08 -1.26 -2.36 117.98 117.67 1x0n s PHE 147 Ca 0.34 -0.89 -0.29 0.00 0.12 0.00 0.00 56.93 56.22 1x0n s PHE 147 Cb -0.10 -0.94 0.01 0.00 -0.57 0.00 0.00 43.02 41.42 1x0n s PHE 147 CO 0.29 0.01 1.42 -0.51 -0.10 0.00 0.00 175.22 176.33 1x0n s LEU 148 N -3.33 3.55 0.20 -0.37 1.43 -1.26 -4.38 118.68 114.53 1x0n s LEU 148 Ca 0.28 0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 53.92 1x0n s LEU 148 Cb 0.05 -3.45 -0.08 0.00 0.03 0.00 0.00 46.19 42.74 1x0n s LEU 148 CO 0.09 -1.49 0.70 -0.13 0.23 0.00 0.00 176.35 175.75 1x0n s ARG 149 N 5.06 4.24 0.08 1.70 1.81 0.51 -4.82 118.95 127.53 1x0n s ARG 149 Ca 0.60 0.84 -0.33 0.00 -1.72 0.00 0.00 55.73 55.13 1x0n s ARG 149 Cb -0.13 -2.93 -0.12 0.00 -0.45 0.00 0.00 34.95 31.32 1x0n s ARG 149 CO 0.31 0.43 1.79 -3.47 -0.68 0.00 0.00 175.30 173.68 1x0n n ASP 150 N 0.85 3.65 -4.88 0.23 2.03 -1.26 -2.93 116.55 114.24 1x0n n ASP 150 Ca -0.03 1.01 -0.31 0.00 0.52 0.00 0.00 54.79 55.97 1x0n n ASP 150 Cb 0.51 -1.47 -0.05 0.00 -0.72 0.00 0.00 41.12 39.39 1x0n n ASP 150 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1x0n s ILE 151 N 2.67 5.16 -0.39 5.18 -1.16 -1.26 -4.91 121.20 126.48 1x0n s ILE 151 Ca 0.84 -0.44 -0.27 0.00 -0.51 0.00 0.00 60.65 60.27 1x0n s ILE 151 Cb -0.58 -3.49 -0.06 0.00 0.61 0.00 0.00 42.46 38.93 1x0n s ILE 151 CO 0.41 0.18 2.35 1.21 -2.81 0.00 0.00 174.94 176.28 1x0n n GLU 152 N 0.48 1.37 -3.97 3.50 2.13 -1.26 -4.15 120.64 118.74 1x0n n GLU 152 Ca -0.07 0.19 -0.27 0.00 0.66 0.00 0.00 57.16 57.67 1x0n n GLU 152 Cb 0.51 -3.35 -0.04 0.00 0.27 0.00 0.00 31.44 28.84 1x0n n GLU 152 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1x0n s GLN 153 N 7.57 3.34 -0.07 5.31 -0.44 -1.26 -4.74 119.66 129.37 1x0n s GLN 153 Ca 1.00 -0.62 -0.40 0.00 -2.50 0.00 0.00 55.36 52.84 1x0n s GLN 153 Cb -0.25 -2.92 -0.19 0.00 -1.64 0.00 0.00 33.01 28.01 1x0n s GLN 153 CO 0.30 0.53 1.28 1.55 0.50 0.00 0.00 175.29 179.45 1x0n n VAL 154 N -0.36 0.03 -1.24 1.34 3.14 -1.26 -4.91 118.33 115.07 1x0n n VAL 154 Ca -0.07 -0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.00 1x0n n VAL 154 Cb 0.54 -0.41 0.11 0.00 -1.06 0.00 0.00 33.84 33.01 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 0.84 1.96 -0.37 1.45 0.04 -1.26 -5.05 135.00 132.61 1x0n s PRO 155 Ca 0.92 1.07 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 1x0n s PRO 155 Cb -1.19 -1.87 0.20 0.00 0.04 0.00 0.00 34.50 31.67 1x0n s PRO 155 CO 0.58 -1.83 0.95 -1.14 0.04 0.00 0.00 177.00 175.61 1x0n s GLN 156 N -4.91 0.42 -0.38 4.56 0.74 -1.26 -5.12 119.66 113.71 1x0n s GLN 156 Ca 0.62 -0.29 -0.42 0.00 0.05 0.00 0.00 55.36 55.32 1x0n s GLN 156 Cb -0.17 0.01 -0.17 0.00 1.10 0.00 0.00 33.01 33.78 1x0n s GLN 156 CO 0.56 -0.56 1.82 0.94 -0.55 0.00 0.00 175.29 177.50 1x0n n GLN 157 N 3.33 0.69 -1.20 1.67 -0.06 -1.26 -4.91 117.38 115.64 1x0n n GLN 157 Ca 0.10 0.24 -0.30 0.00 -2.00 0.00 0.00 57.00 55.05 1x0n n GLN 157 Cb 0.62 -1.91 0.14 0.00 -4.06 0.00 0.00 30.24 25.03 1x0n n GLN 157 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1x0n s PRO 158 N 4.11 1.15 0.00 3.69 0.04 -1.26 -5.36 135.00 137.38 1x0n s PRO 158 Ca 1.05 0.78 0.16 0.00 0.04 0.00 0.00 61.00 63.02 1x0n s PRO 158 Cb -1.21 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 31.66 1x0n s PRO 158 CO 0.68 -2.30 1.01 0.25 0.04 0.00 0.00 177.00 176.68