#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 1.53 0.01 5.87 5.36 -1.26 -1.01 117.98 128.48 1x0n s PHE 61 Ca 0.00 -0.49 0.00 0.00 -0.96 0.00 0.00 56.93 55.48 1x0n s PHE 61 Cb 0.00 -0.81 -0.01 0.00 -0.34 0.00 0.00 43.02 41.86 1x0n s PHE 61 CO 0.00 0.18 -0.02 -0.06 -1.46 0.00 0.00 175.22 173.86 1x0n s PHE 62 N -1.77 0.16 -0.33 10.12 0.40 0.26 -4.90 117.98 121.92 1x0n s PHE 62 Ca 0.08 -0.19 -0.17 0.00 -0.60 0.00 0.00 56.93 56.05 1x0n s PHE 62 Cb -0.07 -0.11 -0.01 0.00 0.51 0.00 0.00 43.02 43.34 1x0n s PHE 62 CO 0.04 -0.06 0.48 0.20 0.70 0.00 0.00 175.22 176.58 1x0n s GLY 63 N -0.52 1.84 -0.06 4.36 0.00 -1.26 -2.83 107.32 108.86 1x0n s GLY 63 Ca -0.05 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 1x0n s GLY 63 CO -0.00 1.20 0.04 0.28 0.00 0.00 0.00 173.10 174.62 1x0n n LYS 64 N 5.63 -1.77 -3.73 2.90 5.02 -1.22 -4.96 118.16 120.02 1x0n n LYS 64 Ca -0.06 1.62 -0.12 0.00 -2.02 0.00 0.00 58.31 57.73 1x0n n LYS 64 Cb 0.49 -1.92 -0.13 0.00 -0.02 0.00 0.00 35.03 33.45 1x0n n LYS 64 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1x0n s ILE 65 N -0.49 -0.03 0.43 -0.18 -5.25 -1.26 -5.04 121.20 109.38 1x0n s ILE 65 Ca -0.05 0.13 -0.24 0.00 -0.99 0.00 0.00 60.65 59.50 1x0n s ILE 65 Cb 0.00 -0.41 -0.08 0.00 2.95 0.00 0.00 42.46 44.92 1x0n s ILE 65 CO 0.19 0.05 1.18 -2.16 -1.79 0.00 0.00 174.94 172.42 1x0n s PRO 66 N 1.19 3.90 0.49 0.37 0.04 -1.26 -4.83 135.00 134.89 1x0n s PRO 66 Ca -0.09 1.83 0.36 0.00 0.04 0.00 0.00 61.00 63.15 1x0n s PRO 66 Cb -0.09 -2.55 1.51 0.00 0.04 0.00 0.00 34.50 33.41 1x0n s PRO 66 CO -0.08 -0.45 1.65 0.07 0.04 0.00 0.00 177.00 178.23 1x0n h ARG 67 N 2.35 0.07 0.10 4.56 -0.00 -2.01 0.39 114.38 119.84 1x0n h ARG 67 Ca -0.49 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.48 1x0n h ARG 67 Cb 1.24 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 31.20 1x0n h ARG 67 CO 0.61 0.04 -0.05 0.00 -0.00 0.00 0.00 179.97 180.58 1x0n h ALA 68 N 1.40 -0.13 -0.19 0.08 0.00 -2.00 -2.29 119.26 116.13 1x0n h ALA 68 Ca 0.79 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.65 1x0n h ALA 68 Cb 2.78 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 20.58 1x0n h ALA 68 CO -0.22 -0.49 -0.10 0.87 0.00 0.00 0.00 179.25 179.30 1x0n h LYS 69 N -0.30 -0.09 -0.36 0.00 6.56 -0.58 -2.29 116.57 119.53 1x0n h LYS 69 Ca -0.01 0.01 0.07 0.00 -1.06 0.00 0.00 60.65 59.66 1x0n h LYS 69 Cb 0.25 0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 31.85 1x0n h LYS 69 CO 0.02 -0.06 -0.13 0.00 -2.06 0.00 0.00 179.45 177.23 1x0n h ALA 70 N 1.06 0.18 -0.85 3.86 0.00 -1.42 0.71 119.26 122.80 1x0n h ALA 70 Ca 0.11 0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.31 1x0n h ALA 70 Cb 0.25 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1x0n h ALA 70 CO -0.25 -0.50 0.55 0.93 0.00 0.00 0.00 179.25 179.99 1x0n h GLU 71 N -0.05 0.51 -0.08 0.00 5.08 -0.95 -0.77 114.58 118.32 1x0n h GLU 71 Ca 0.18 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 1x0n h GLU 71 Cb 0.32 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1x0n h GLU 71 CO -0.40 0.34 -0.56 0.93 -1.00 0.00 0.00 179.01 178.32 1x0n h GLU 72 N 0.52 0.51 -0.29 2.33 4.39 -0.48 0.28 114.58 121.85 1x0n h GLU 72 Ca 0.43 -0.45 0.01 0.00 0.34 0.00 0.00 59.36 59.69 1x0n h GLU 72 Cb 0.88 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1x0n h GLU 72 CO -0.17 1.08 0.19 0.52 -1.16 0.00 0.00 179.01 179.47 1x0n h MET 73 N 0.09 0.34 0.00 2.33 2.86 0.28 -1.02 114.93 119.81 1x0n h MET 73 Ca -0.05 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.48 1x0n h MET 73 Cb 1.22 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 1x0n h MET 73 CO 0.11 0.23 -0.54 -0.07 1.06 0.00 0.00 176.91 177.70 1x0n h LEU 74 N 0.35 0.00 -0.91 1.22 3.38 -1.18 -3.32 115.31 114.84 1x0n h LEU 74 Ca 0.11 -0.66 0.19 0.00 0.09 0.00 0.00 57.88 57.60 1x0n h LEU 74 Cb 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.65 1x0n h LEU 74 CO -0.02 1.14 0.48 -1.28 0.09 0.00 0.00 178.44 178.85 1x0n h SER 75 N -1.00 0.56 -0.16 -0.43 0.87 -0.82 0.37 113.55 112.94 1x0n h SER 75 Ca -0.14 0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1x0n h SER 75 Cb 1.01 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 1x0n h SER 75 CO -0.08 0.17 0.11 0.07 -0.53 0.00 0.00 176.83 176.56 1x0n h LYS 76 N 0.60 0.14 -6.90 2.24 2.10 -1.33 -3.43 116.57 109.99 1x0n h LYS 76 Ca 0.53 -0.01 -0.43 0.00 -2.00 0.00 0.00 60.65 58.75 1x0n h LYS 76 Cb 0.87 -0.03 0.22 0.00 -0.90 0.00 0.00 32.23 32.39 1x0n h LYS 76 CO -0.42 0.10 -0.43 1.04 -2.00 0.00 0.00 179.45 177.73 1x0n n GLN 77 N -4.51 -2.49 -0.08 0.07 1.13 0.13 -4.99 117.38 106.64 1x0n n GLN 77 Ca -0.00 -0.71 -0.10 0.00 -1.94 0.00 0.00 57.00 54.25 1x0n n GLN 77 Cb 0.14 -1.94 -0.09 0.00 0.11 0.00 0.00 30.24 28.45 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 -3.95 0.90 -1.03 -1.09 5.12 -1.26 -5.02 116.66 110.33 1x0n n ARG 78 Ca 0.02 0.06 -0.30 0.00 -1.93 0.00 0.00 57.85 55.70 1x0n n ARG 78 Cb 0.57 -1.34 0.25 0.00 -1.16 0.00 0.00 32.46 30.78 1x0n n ARG 78 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1x0n s HIS 79 N -2.33 0.11 -0.22 -1.55 3.76 -1.26 -5.05 115.29 108.74 1x0n s HIS 79 Ca -0.17 0.41 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 1x0n s HIS 79 Cb 0.05 -3.46 0.05 0.00 1.11 0.00 0.00 32.58 30.34 1x0n s HIS 79 CO 0.44 -4.12 -0.08 -0.51 -0.85 0.00 0.00 174.74 169.61 1x0n s ASP 80 N -3.94 3.75 0.00 1.40 1.01 -1.26 -4.71 116.67 112.93 1x0n s ASP 80 Ca 0.72 -1.09 0.00 0.00 0.71 0.00 0.00 52.55 52.89 1x0n s ASP 80 Cb -0.08 -1.27 0.00 0.00 1.01 0.00 0.00 42.92 42.58 1x0n s ASP 80 CO 0.56 -0.19 0.00 0.61 0.21 0.00 0.00 175.17 176.36 1x0n n GLY 81 N 4.64 1.91 3.72 0.21 0.00 -1.17 -4.55 105.19 109.95 1x0n n GLY 81 Ca -0.14 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 -0.25 2.41 -2.80 4.61 0.00 -1.26 -0.32 120.51 122.90 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 -2.46 -0.07 0.00 0.00 0.00 0.00 19.45 16.93 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 0.52 3.30 -0.24 0.00 -0.71 -1.14 -1.78 117.98 117.94 1x0n s PHE 83 Ca 0.70 0.20 -0.05 0.00 -1.04 0.00 0.00 56.93 56.74 1x0n s PHE 83 Cb -0.53 -1.72 0.12 0.00 -1.21 0.00 0.00 43.02 39.67 1x0n s PHE 83 CO 0.41 0.56 0.45 -1.17 -1.34 0.00 0.00 175.22 174.13 1x0n s LEU 84 N -1.93 -0.79 -0.25 -1.99 0.20 -0.41 -4.11 118.68 109.42 1x0n s LEU 84 Ca 0.25 0.80 -0.11 0.00 0.69 0.00 0.00 54.13 55.76 1x0n s LEU 84 Cb -0.12 1.48 -0.05 0.00 -0.43 0.00 0.00 46.19 47.07 1x0n s LEU 84 CO 0.17 -0.26 0.19 -0.63 -0.29 0.00 0.00 176.35 175.53 1x0n s ILE 85 N 2.65 5.34 0.08 6.68 1.01 -0.18 -0.42 121.20 136.35 1x0n s ILE 85 Ca 0.05 0.22 0.06 0.00 0.00 0.00 0.00 60.65 60.98 1x0n s ILE 85 Cb -0.13 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1x0n s ILE 85 CO -0.15 0.32 -0.11 0.00 0.00 0.00 0.00 174.94 175.00 1x0n s ARG 86 N 1.22 2.20 0.16 2.79 1.70 -0.21 -0.58 118.95 126.23 1x0n s ARG 86 Ca 0.08 -0.96 0.05 0.00 -0.47 0.00 0.00 55.73 54.43 1x0n s ARG 86 Cb -0.14 -2.32 -0.04 0.00 -0.57 0.00 0.00 34.95 31.88 1x0n s ARG 86 CO 0.06 0.53 0.13 -2.00 -1.08 0.00 0.00 175.30 172.94 1x0n s GLU 87 N -1.94 2.88 0.72 3.89 2.12 -1.13 -2.18 118.70 123.06 1x0n s GLU 87 Ca 0.19 -0.88 -0.12 0.00 0.36 0.00 0.00 54.97 54.53 1x0n s GLU 87 Cb -0.11 -2.63 0.03 0.00 0.26 0.00 0.00 34.13 31.68 1x0n s GLU 87 CO 0.11 0.48 1.09 -1.12 -0.54 0.00 0.00 175.26 175.28 1x0n s SER 88 N -3.09 4.88 -0.01 -1.70 0.01 -1.22 -3.43 113.70 109.15 1x0n s SER 88 Ca 0.31 1.83 -0.13 0.00 1.31 0.00 0.00 55.95 59.27 1x0n s SER 88 Cb -0.10 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.53 1x0n s SER 88 CO 0.23 -1.78 0.71 -0.33 0.41 0.00 0.00 173.24 172.48 1x0n h GLU 89 N -0.68 -0.44 -0.87 12.44 5.08 -1.98 -3.36 114.58 124.77 1x0n h GLU 89 Ca -0.45 0.03 -0.61 0.00 -1.00 0.00 0.00 59.36 57.34 1x0n h GLU 89 Cb 1.23 0.10 -0.36 0.00 0.50 0.00 0.00 28.75 30.22 1x0n h GLU 89 CO 0.53 -0.30 0.03 0.43 -1.00 0.00 0.00 179.01 178.71 1x0n n SER 90 N -4.10 6.27 -3.41 1.42 7.64 -1.26 -4.81 113.62 115.36 1x0n n SER 90 Ca -0.06 -3.77 -0.27 0.00 1.01 0.00 0.00 58.87 55.78 1x0n n SER 90 Cb 0.18 -0.66 -0.11 0.00 -1.01 0.00 0.00 64.21 62.61 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 -3.71 1.11 -0.38 -0.43 0.00 -1.26 -5.10 121.76 111.99 1x0n s ALA 91 Ca 0.58 -2.14 -0.28 0.00 0.00 0.00 0.00 51.96 50.11 1x0n s ALA 91 Cb 0.46 -1.61 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 1x0n s ALA 91 CO 0.02 -2.04 1.72 -1.25 0.00 0.00 0.00 175.76 174.21 1x0n s PRO 92 N 0.54 3.30 0.00 0.00 0.04 -1.26 -2.67 135.00 134.95 1x0n s PRO 92 Ca 0.26 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1x0n s PRO 92 Cb -0.08 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1x0n s PRO 92 CO -0.10 -1.90 0.00 0.41 0.04 0.00 0.00 177.00 175.45 1x0n n GLY 93 N 5.38 1.36 3.66 0.56 0.00 -1.26 -5.09 105.19 109.79 1x0n n GLY 93 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.06 6.87 -0.05 1.61 -1.08 -1.09 -4.96 116.67 116.92 1x0n s ASP 94 Ca 0.00 1.74 0.07 0.00 -0.52 0.00 0.00 52.55 53.83 1x0n s ASP 94 Cb 0.00 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.91 1x0n s ASP 94 CO 0.00 -0.82 -0.25 -0.36 0.52 0.00 0.00 175.17 174.27 1x0n s PHE 95 N 3.67 2.42 -0.07 -5.34 0.08 -1.26 -3.41 117.98 114.07 1x0n s PHE 95 Ca 0.58 -0.60 -0.01 0.00 0.12 0.00 0.00 56.93 57.02 1x0n s PHE 95 Cb -0.23 -1.57 0.03 0.00 -0.57 0.00 0.00 43.02 40.68 1x0n s PHE 95 CO 0.18 -0.14 0.00 0.45 -0.10 0.00 0.00 175.22 175.61 1x0n s SER 96 N -0.33 1.55 0.27 1.36 0.15 -0.93 -2.52 113.70 113.24 1x0n s SER 96 Ca 0.02 -0.07 -0.13 0.00 0.70 0.00 0.00 55.95 56.46 1x0n s SER 96 Cb -0.12 -0.42 -0.08 0.00 -1.71 0.00 0.00 66.02 63.68 1x0n s SER 96 CO 0.02 -0.20 0.65 -0.22 1.20 0.00 0.00 173.24 174.69 1x0n s LEU 97 N 1.97 4.14 -0.23 3.45 2.96 -0.86 -1.04 118.68 129.07 1x0n s LEU 97 Ca 0.05 1.14 -0.04 0.00 -0.22 0.00 0.00 54.13 55.06 1x0n s LEU 97 Cb -0.12 -3.84 0.08 0.00 0.50 0.00 0.00 46.19 42.81 1x0n s LEU 97 CO -0.05 -0.12 0.10 -0.55 -1.32 0.00 0.00 176.35 174.41 1x0n s SER 98 N -2.23 2.98 -0.09 3.68 0.15 0.44 -0.75 113.70 117.88 1x0n s SER 98 Ca 0.50 -0.96 -0.02 0.00 0.70 0.00 0.00 55.95 56.16 1x0n s SER 98 Cb -0.11 -0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 63.81 1x0n s SER 98 CO 0.19 -0.39 0.01 -0.69 1.20 0.00 0.00 173.24 173.57 1x0n s VAL 99 N 2.07 4.39 0.13 4.45 1.01 -0.18 -1.28 120.40 130.99 1x0n s VAL 99 Ca 0.05 -0.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 1x0n s VAL 99 Cb -0.16 -2.86 -0.07 0.00 0.00 0.00 0.00 36.38 33.29 1x0n s VAL 99 CO -0.21 0.60 0.66 -0.75 0.00 0.00 0.00 175.10 175.40 1x0n s LYS 100 N -0.84 4.32 -0.29 2.72 2.20 -0.73 -0.96 119.74 126.16 1x0n s LYS 100 Ca 0.13 0.89 -0.03 0.00 -0.36 0.00 0.00 55.97 56.60 1x0n s LYS 100 Cb -0.11 -3.18 0.10 0.00 -1.51 0.00 0.00 37.83 33.12 1x0n s LYS 100 CO 0.02 0.57 0.11 -0.06 -0.36 0.00 0.00 175.35 175.64 1x0n s PHE 101 N -1.20 0.94 0.00 4.03 0.08 0.07 -3.05 117.98 118.86 1x0n s PHE 101 Ca 0.34 -1.22 0.00 0.00 0.12 0.00 0.00 56.93 56.17 1x0n s PHE 101 Cb -0.20 -1.24 0.00 0.00 -0.57 0.00 0.00 43.02 41.01 1x0n s PHE 101 CO 0.22 -0.82 0.00 0.41 -0.10 0.00 0.00 175.22 174.92 1x0n n GLY 102 N 5.07 0.37 0.56 4.36 0.00 -1.26 0.01 105.19 114.31 1x0n n GLY 102 Ca -0.05 0.69 0.06 0.00 0.00 0.00 0.00 46.02 46.72 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 6.20 1.75 -3.67 1.61 5.15 -1.26 -4.98 115.26 120.06 1x0n n ASN 103 Ca 0.00 -3.69 -0.13 0.00 -0.60 0.00 0.00 54.58 50.16 1x0n n ASN 103 Cb 0.00 -0.50 -0.13 0.00 -0.53 0.00 0.00 39.78 38.62 1x0n n ASN 103 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1x0n s ASP 104 N -3.11 0.21 -0.38 1.20 1.01 0.10 -5.13 116.67 110.58 1x0n s ASP 104 Ca 0.37 0.60 -0.20 0.00 0.71 0.00 0.00 52.55 54.03 1x0n s ASP 104 Cb 0.35 0.68 0.01 0.00 1.01 0.00 0.00 42.92 44.97 1x0n s ASP 104 CO -0.06 -0.23 0.63 -0.69 0.21 0.00 0.00 175.17 175.03 1x0n s VAL 105 N 2.22 4.88 0.48 -1.27 1.01 -1.26 -0.75 120.40 125.71 1x0n s VAL 105 Ca -0.01 0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.50 1x0n s VAL 105 Cb -0.12 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.19 1x0n s VAL 105 CO -0.09 -0.38 0.56 -1.10 0.00 0.00 0.00 175.10 174.10 1x0n s GLN 106 N 2.71 2.52 0.18 2.72 -1.52 -0.14 -4.97 119.66 121.17 1x0n s GLN 106 Ca 0.24 -1.54 -0.10 0.00 -1.95 0.00 0.00 55.36 52.01 1x0n s GLN 106 Cb -0.14 -2.54 -0.01 0.00 -0.22 0.00 0.00 33.01 30.10 1x0n s GLN 106 CO 0.16 -0.47 0.33 -3.38 -0.25 0.00 0.00 175.29 171.68 1x0n s HIS 107 N -2.53 0.39 -0.06 0.91 -3.43 -1.26 -1.01 115.29 108.29 1x0n s HIS 107 Ca 0.52 -0.74 -0.02 0.00 -0.80 0.00 0.00 55.06 54.02 1x0n s HIS 107 Cb -0.06 -0.00 0.03 0.00 -1.43 0.00 0.00 32.58 31.12 1x0n s HIS 107 CO 0.32 -0.78 0.04 -0.06 -2.00 0.00 0.00 174.74 172.26 1x0n s PHE 108 N -3.98 0.32 -0.50 0.38 0.40 0.07 -4.95 117.98 109.72 1x0n s PHE 108 Ca 0.19 0.04 -0.27 0.00 -0.60 0.00 0.00 56.93 56.28 1x0n s PHE 108 Cb 0.02 -0.63 -0.02 0.00 0.51 0.00 0.00 43.02 42.91 1x0n s PHE 108 CO 0.02 -0.27 1.78 0.15 0.70 0.00 0.00 175.22 177.60 1x0n s LYS 109 N 2.09 2.98 -0.03 0.44 1.02 -1.26 -2.04 119.74 122.93 1x0n s LYS 109 Ca 0.05 0.90 -0.30 0.00 0.02 0.00 0.00 55.97 56.64 1x0n s LYS 109 Cb -0.12 -4.28 -0.07 0.00 -0.52 0.00 0.00 37.83 32.84 1x0n s LYS 109 CO -0.04 -2.30 1.75 0.08 -0.92 0.00 0.00 175.35 173.92 1x0n s VAL 110 N 7.89 3.41 -0.31 3.17 1.01 -1.05 -4.95 120.40 129.57 1x0n s VAL 110 Ca 0.70 0.49 -0.25 0.00 0.00 0.00 0.00 61.98 62.92 1x0n s VAL 110 Cb -0.16 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.91 1x0n s VAL 110 CO 0.26 -0.05 0.89 -0.76 0.00 0.00 0.00 175.10 175.45 1x0n s LEU 111 N 4.19 4.04 0.05 3.92 2.01 -0.93 -4.62 118.68 127.34 1x0n s LEU 111 Ca 0.78 0.81 0.09 0.00 0.01 0.00 0.00 54.13 55.82 1x0n s LEU 111 Cb -0.36 -3.24 -0.03 0.00 0.01 0.00 0.00 46.19 42.57 1x0n s LEU 111 CO 0.33 -0.70 -0.26 0.00 1.01 0.00 0.00 176.35 176.73 1x0n s ARG 112 N 3.19 1.75 0.59 1.70 3.03 -1.26 -1.74 118.95 126.20 1x0n s ARG 112 Ca 0.37 -1.12 0.09 0.00 2.03 0.00 0.00 55.73 57.09 1x0n s ARG 112 Cb -0.14 -1.95 0.09 0.00 -1.03 0.00 0.00 34.95 31.93 1x0n s ARG 112 CO 0.13 0.50 0.73 -3.47 -1.13 0.00 0.00 175.30 172.06 1x0n n ASP 113 N 1.71 2.31 -1.46 -2.89 2.03 -1.12 -4.99 116.55 112.14 1x0n n ASP 113 Ca -0.17 -2.66 -0.06 0.00 0.52 0.00 0.00 54.79 52.42 1x0n n ASP 113 Cb 0.52 -0.34 0.02 0.00 -0.72 0.00 0.00 41.12 40.60 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 -2.13 2.83 0.90 0.27 0.00 -1.26 -3.72 105.19 102.08 1x0n n GLY 114 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.66 2.52 0.00 4.61 0.00 -1.26 -5.06 120.51 121.97 1x0n n ALA 115 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1x0n n ALA 115 Cb 0.62 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 1.97 0.43 3.52 0.00 0.00 -1.24 -5.16 105.19 104.70 1x0n n GLY 116 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 1.86 0.12 1.61 -0.14 -1.26 -4.59 119.74 117.34 1x0n s LYS 117 Ca 0.00 -1.35 0.07 0.00 -1.36 0.00 0.00 55.97 53.32 1x0n s LYS 117 Cb 0.00 -2.05 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 1x0n s LYS 117 CO 0.00 0.42 -0.16 0.71 -0.76 0.00 0.00 175.35 175.56 1x0n s TYR 118 N -1.67 1.54 0.11 3.18 2.02 -0.53 -2.79 117.35 119.22 1x0n s TYR 118 Ca 0.23 -0.50 -0.26 0.00 -0.37 0.00 0.00 57.07 56.17 1x0n s TYR 118 Cb -0.09 -0.81 0.08 0.00 -0.40 0.00 0.00 41.96 40.74 1x0n s TYR 118 CO 0.13 0.19 1.05 -0.59 -1.57 0.00 0.00 175.55 174.76 1x0n s PHE 119 N -1.83 -0.10 0.11 2.71 -0.71 -0.71 -0.64 117.98 116.81 1x0n s PHE 119 Ca 0.08 -0.16 0.00 0.00 -1.04 0.00 0.00 56.93 55.81 1x0n s PHE 119 Cb -0.07 0.62 0.00 0.00 -1.21 0.00 0.00 43.02 42.36 1x0n s PHE 119 CO 0.04 -0.69 0.00 1.28 -1.34 0.00 0.00 175.22 174.51 1x0n n LEU 120 N -0.49 0.82 0.00 -1.99 4.77 -1.11 -2.19 117.00 116.81 1x0n n LEU 120 Ca -0.07 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1x0n n LEU 120 Cb 0.61 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1x0n n LEU 120 CO 0.14 -0.67 0.00 -2.67 -1.33 0.00 0.00 177.39 172.85 1x0n n TRP 121 N -3.43 0.00 -2.56 -1.77 2.14 -1.26 -4.95 117.44 105.61 1x0n n TRP 121 Ca 0.00 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.60 1x0n n TRP 121 Cb 0.06 0.00 0.03 0.00 -0.81 0.00 0.00 31.31 30.59 1x0n n TRP 121 CO 0.00 0.00 0.00 1.33 2.07 0.00 0.00 177.69 181.09 1x0n n VAL 122 N -0.65 0.46 -3.63 -1.67 0.24 -1.26 -5.07 118.33 106.74 1x0n n VAL 122 Ca 0.00 -1.65 -0.11 0.00 -2.04 0.00 0.00 64.34 60.54 1x0n n VAL 122 Cb 0.00 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.32 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 -1.22 0.00 0.03 3.34 0.11 -1.26 -5.18 120.40 116.22 1x0n s VAL 123 Ca 0.32 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.38 1x0n s VAL 123 Cb 0.37 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1x0n s VAL 123 CO -0.13 0.00 -0.04 -0.54 -3.33 0.00 0.00 175.10 171.06 1x0n s LYS 124 N 0.50 0.36 0.37 1.54 1.02 -1.26 -2.73 119.74 119.54 1x0n s LYS 124 Ca -0.00 -0.62 -0.05 0.00 0.02 0.00 0.00 55.97 55.31 1x0n s LYS 124 Cb -0.05 -0.02 0.02 0.00 -0.52 0.00 0.00 37.83 37.26 1x0n s LYS 124 CO -0.04 -0.02 0.58 1.19 -0.92 0.00 0.00 175.35 176.15 1x0n n PHE 125 N 1.65 -1.73 -0.07 3.18 3.72 0.18 -4.98 117.46 119.41 1x0n n PHE 125 Ca -0.23 -2.26 -0.18 0.00 -0.05 0.00 0.00 57.45 54.73 1x0n n PHE 125 Cb 0.55 0.67 -0.13 0.00 -0.94 0.00 0.00 39.48 39.63 1x0n n PHE 125 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1x0n n ASN 126 N -1.59 1.72 -4.43 4.37 3.02 -1.26 -1.45 115.26 115.65 1x0n n ASN 126 Ca -0.02 0.04 -0.22 0.00 -0.03 0.00 0.00 54.58 54.35 1x0n n ASN 126 Cb 0.60 -0.38 -0.10 0.00 -0.61 0.00 0.00 39.78 39.29 1x0n n ASN 126 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1x0n s SER 127 N -6.55 3.23 0.28 6.41 0.15 -1.26 -4.42 113.70 111.54 1x0n s SER 127 Ca -0.26 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.37 1x0n s SER 127 Cb 0.08 -0.24 0.39 0.00 -1.71 0.00 0.00 66.02 64.54 1x0n s SER 127 CO 0.70 -0.03 1.77 -0.07 1.20 0.00 0.00 173.24 176.80 1x0n h LEU 128 N 2.38 0.65 -0.85 3.45 3.38 -1.95 -2.91 115.31 119.45 1x0n h LEU 128 Ca -0.39 -0.17 0.19 0.00 0.09 0.00 0.00 57.88 57.60 1x0n h LEU 128 Cb 1.25 -0.17 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 1x0n h LEU 128 CO 0.61 0.76 0.34 0.78 0.09 0.00 0.00 178.44 181.02 1x0n h ASN 129 N 0.62 0.28 -0.47 -0.43 2.35 -1.99 0.55 115.58 116.49 1x0n h ASN 129 Ca 0.12 0.14 0.14 0.00 -0.55 0.00 0.00 56.30 56.14 1x0n h ASN 129 Cb 0.49 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1x0n h ASN 129 CO 0.03 0.03 0.39 -0.33 -1.65 0.00 0.00 177.43 175.89 1x0n h GLU 130 N 0.40 0.00 0.12 0.81 3.07 -1.94 -0.33 114.58 116.71 1x0n h GLU 130 Ca 0.50 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.15 1x0n h GLU 130 Cb 0.90 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.82 1x0n h GLU 130 CO -0.50 0.00 -1.02 -0.07 -1.40 0.00 0.00 179.01 176.02 1x0n h LEU 131 N 0.00 0.40 -1.10 1.33 4.07 -0.07 -2.38 115.31 117.57 1x0n h LEU 131 Ca 0.22 -0.90 0.03 0.00 0.08 0.00 0.00 57.88 57.31 1x0n h LEU 131 Cb 1.00 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 42.55 1x0n h LEU 131 CO -0.00 1.47 0.61 0.58 -1.08 0.00 0.00 178.44 180.02 1x0n h VAL 132 N -0.39 1.18 0.12 1.22 2.07 -0.53 -1.52 116.25 118.40 1x0n h VAL 132 Ca -0.20 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1x0n h VAL 132 Cb 1.65 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1x0n h VAL 132 CO 0.10 0.22 -0.06 -0.78 0.02 0.00 0.00 177.57 177.07 1x0n h ASP 133 N 1.20 -0.14 -0.99 0.57 3.58 -1.23 -1.61 116.42 117.79 1x0n h ASP 133 Ca 0.36 0.00 0.38 0.00 0.42 0.00 0.00 57.03 58.19 1x0n h ASP 133 Cb -0.04 0.04 -0.17 0.00 1.72 0.00 0.00 39.33 40.88 1x0n h ASP 133 CO -0.10 0.18 0.48 0.22 -2.88 0.00 0.00 179.24 177.14 1x0n h TYR 134 N -0.72 0.74 0.02 0.28 3.20 -1.45 1.50 116.97 120.54 1x0n h TYR 134 Ca -0.02 0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.69 1x0n h TYR 134 Cb 0.12 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1x0n h TYR 134 CO 0.01 -0.40 -0.97 0.45 -1.64 0.00 0.00 178.16 175.61 1x0n h HIS 135 N 0.08 0.15 -0.28 -3.82 3.86 -1.38 -0.71 115.15 113.05 1x0n h HIS 135 Ca 0.79 -0.10 0.08 0.00 -1.16 0.00 0.00 60.37 59.98 1x0n h HIS 135 Cb 1.97 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 30.42 1x0n h HIS 135 CO -0.07 1.00 0.21 -0.09 0.86 0.00 0.00 177.93 179.83 1x0n h ARG 136 N 0.04 0.00 0.00 2.45 2.43 0.31 -2.73 114.38 116.88 1x0n h ARG 136 Ca -0.04 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.81 1x0n h ARG 136 Cb 1.67 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.16 1x0n h ARG 136 CO 0.14 0.00 -2.20 -1.13 -1.51 0.00 0.00 179.97 175.27 1x0n n SER 137 N -4.43 1.34 -4.73 -3.80 3.41 -0.87 -4.12 113.62 100.42 1x0n n SER 137 Ca 0.04 -0.04 -0.35 0.00 -0.26 0.00 0.00 58.87 58.25 1x0n n SER 137 Cb 0.37 0.47 -0.08 0.00 -0.26 0.00 0.00 64.21 64.70 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 -2.42 4.79 0.89 6.66 2.01 -0.28 -4.98 115.64 122.31 1x0n s THR 138 Ca -0.16 -0.06 -0.16 0.00 0.31 0.00 0.00 61.69 61.62 1x0n s THR 138 Cb 0.06 -3.07 -0.14 0.00 0.01 0.00 0.00 72.50 69.36 1x0n s THR 138 CO 0.63 0.58 -0.69 -0.24 -0.69 0.00 0.00 174.62 174.21 1x0n n SER 139 N 2.42 -5.44 0.00 3.53 2.88 -1.26 -4.28 113.62 111.46 1x0n n SER 139 Ca -0.19 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1x0n n SER 139 Cb 0.54 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1x0n n SER 139 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1x0n n VAL 140 N -2.25 0.00 -4.34 2.46 3.14 -0.90 -4.84 118.33 111.61 1x0n n VAL 140 Ca -0.01 -0.22 -0.32 0.00 -2.96 0.00 0.00 64.34 60.84 1x0n n VAL 140 Cb 0.52 1.19 -0.10 0.00 -1.06 0.00 0.00 33.84 34.39 1x0n n VAL 140 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1x0n s SER 141 N -0.29 4.75 -0.35 6.55 1.04 -1.26 -5.01 113.70 119.13 1x0n s SER 141 Ca 0.00 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.32 1x0n s SER 141 Cb 0.00 -1.11 0.59 0.00 0.10 0.00 0.00 66.02 65.60 1x0n s SER 141 CO 0.00 0.25 1.74 0.54 0.98 0.00 0.00 173.24 176.75 1x0n n ARG 142 N 1.25 2.48 0.00 4.02 1.74 -1.26 -4.31 116.66 120.58 1x0n n ARG 142 Ca -0.14 -2.59 0.00 0.00 -0.77 0.00 0.00 57.85 54.35 1x0n n ARG 142 Cb 0.52 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 1x0n n ARG 142 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1x0n n ASN 143 N -0.64 0.05 -3.95 0.55 2.85 -1.26 -5.13 115.26 107.72 1x0n n ASN 143 Ca 0.46 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.68 1x0n n ASN 143 Cb 1.42 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 42.38 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 -2.65 0.73 -3.44 1.20 6.02 -1.26 -5.10 117.38 112.88 1x0n n GLN 144 Ca 0.00 -3.19 -0.44 0.00 -0.01 0.00 0.00 57.00 53.36 1x0n n GLN 144 Cb 0.18 1.35 -0.05 0.00 1.02 0.00 0.00 30.24 32.74 1x0n n GLN 144 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1x0n s GLN 145 N -3.50 3.08 0.03 -1.09 -2.07 -1.26 -4.45 119.66 110.40 1x0n s GLN 145 Ca 0.11 -2.19 0.03 0.00 -1.82 0.00 0.00 55.36 51.48 1x0n s GLN 145 Cb 0.01 -4.18 -0.02 0.00 -1.09 0.00 0.00 33.01 27.72 1x0n s GLN 145 CO 0.08 -1.26 -0.08 0.42 -1.32 0.00 0.00 175.29 173.12 1x0n s ILE 146 N 0.63 0.63 0.35 3.63 1.01 -1.26 -5.06 121.20 121.14 1x0n s ILE 146 Ca 0.12 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 60.02 1x0n s ILE 146 Cb -0.19 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 1x0n s ILE 146 CO -0.04 -0.17 0.13 -0.36 0.00 0.00 0.00 174.94 174.50 1x0n s PHE 147 N -0.93 2.67 -0.51 3.97 0.08 -1.26 -2.11 117.98 119.89 1x0n s PHE 147 Ca -0.04 -0.41 -0.29 0.00 0.12 0.00 0.00 56.93 56.31 1x0n s PHE 147 Cb -0.07 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 1x0n s PHE 147 CO 0.00 0.34 1.23 -0.51 -0.10 0.00 0.00 175.22 176.19 1x0n s LEU 148 N -3.83 3.54 0.23 -0.37 1.43 -1.22 -4.54 118.68 113.92 1x0n s LEU 148 Ca 0.38 0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 53.58 1x0n s LEU 148 Cb -0.02 -3.38 -0.09 0.00 0.03 0.00 0.00 46.19 42.74 1x0n s LEU 148 CO 0.22 -1.41 1.02 -0.13 0.23 0.00 0.00 176.35 176.28 1x0n s ARG 149 N 4.81 4.73 -0.21 1.70 1.81 0.56 -4.62 118.95 127.75 1x0n s ARG 149 Ca 0.49 1.62 -0.28 0.00 -1.72 0.00 0.00 55.73 55.84 1x0n s ARG 149 Cb -0.09 -3.26 -0.05 0.00 -0.45 0.00 0.00 34.95 31.11 1x0n s ARG 149 CO 0.29 0.33 2.12 0.16 -0.68 0.00 0.00 175.30 177.52 1x0n s ASP 150 N -0.81 5.63 0.46 0.23 1.47 -1.26 -2.89 116.67 119.49 1x0n s ASP 150 Ca 0.44 1.88 -0.21 0.00 1.18 0.00 0.00 52.55 55.83 1x0n s ASP 150 Cb -0.28 -2.51 -0.08 0.00 -0.34 0.00 0.00 42.92 39.70 1x0n s ASP 150 CO 0.35 -1.83 1.05 -0.51 0.68 0.00 0.00 175.17 174.92 1x0n s ILE 151 N 7.68 3.71 -0.59 2.11 2.07 -1.26 -4.96 121.20 129.96 1x0n s ILE 151 Ca 0.96 1.14 -0.20 0.00 -1.41 0.00 0.00 60.65 61.14 1x0n s ILE 151 Cb -0.32 -3.51 0.08 0.00 0.13 0.00 0.00 42.46 38.84 1x0n s ILE 151 CO 0.35 -0.15 0.78 -1.61 -1.91 0.00 0.00 174.94 172.40 1x0n s GLU 152 N -3.00 3.10 0.70 3.50 2.02 -1.26 -4.45 118.70 119.31 1x0n s GLU 152 Ca 0.65 -1.01 -0.11 0.00 0.02 0.00 0.00 54.97 54.52 1x0n s GLU 152 Cb -0.19 -4.20 0.01 0.00 0.10 0.00 0.00 34.13 29.85 1x0n s GLU 152 CO 0.23 -1.54 1.06 -1.14 0.02 0.00 0.00 175.26 173.89 1x0n s GLN 153 N 3.16 2.87 0.13 1.61 -0.44 -1.26 -4.92 119.66 120.81 1x0n s GLN 153 Ca 0.17 1.01 -0.32 0.00 -2.50 0.00 0.00 55.36 53.72 1x0n s GLN 153 Cb -0.20 -1.98 -0.18 0.00 -1.64 0.00 0.00 33.01 29.01 1x0n s GLN 153 CO 0.10 -1.15 0.72 1.55 0.50 0.00 0.00 175.29 177.01 1x0n n VAL 154 N -3.08 1.31 -1.49 1.34 3.14 -1.26 -4.90 118.33 113.40 1x0n n VAL 154 Ca 0.08 -0.33 -0.32 0.00 -2.96 0.00 0.00 64.34 60.81 1x0n n VAL 154 Cb 0.53 -0.03 0.07 0.00 -1.06 0.00 0.00 33.84 33.35 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 -0.66 2.50 -0.32 1.45 0.04 -1.26 -5.03 135.00 131.71 1x0n s PRO 155 Ca 0.73 1.28 -0.05 0.00 0.04 0.00 0.00 61.00 63.00 1x0n s PRO 155 Cb -1.04 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 31.62 1x0n s PRO 155 CO 0.56 -1.47 0.06 -1.14 0.04 0.00 0.00 177.00 175.05 1x0n s GLN 156 N -4.52 2.57 -0.41 4.56 -0.44 -1.26 -5.04 119.66 115.11 1x0n s GLN 156 Ca 0.64 -1.20 -0.38 0.00 -2.50 0.00 0.00 55.36 51.92 1x0n s GLN 156 Cb -0.19 -3.34 -0.16 0.00 -1.64 0.00 0.00 33.01 27.68 1x0n s GLN 156 CO 0.49 -0.63 1.38 0.94 0.50 0.00 0.00 175.29 177.97 1x0n n GLN 157 N 4.74 0.00 -2.26 1.67 7.27 -1.26 -4.85 117.38 122.69 1x0n n GLN 157 Ca -0.13 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.59 1x0n n GLN 157 Cb 0.44 -1.23 -0.00 0.00 2.41 0.00 0.00 30.24 31.86 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 2.86 3.45 0.00 3.69 0.04 -1.26 -5.36 135.00 138.43 1x0n s PRO 158 Ca 0.88 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1x0n s PRO 158 Cb -1.23 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1x0n s PRO 158 CO 0.65 -0.78 0.00 -2.37 0.04 0.00 0.00 177.00 174.54