#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 2.92 -0.03 -2.67 5.36 -1.26 -1.88 117.98 120.42 1x0n s PHE 61 Ca 0.00 -0.03 0.04 0.00 -0.96 0.00 0.00 56.93 55.98 1x0n s PHE 61 Cb 0.00 -1.60 -0.00 0.00 -0.34 0.00 0.00 43.02 41.08 1x0n s PHE 61 CO 0.00 0.40 -0.13 -0.06 -1.46 0.00 0.00 175.22 173.97 1x0n s PHE 62 N -1.07 1.30 -0.21 10.12 0.40 -0.23 -4.96 117.98 123.34 1x0n s PHE 62 Ca 0.19 -0.32 -0.18 0.00 -0.60 0.00 0.00 56.93 56.02 1x0n s PHE 62 Cb -0.11 -0.88 -0.03 0.00 0.51 0.00 0.00 43.02 42.50 1x0n s PHE 62 CO 0.10 -0.10 0.50 0.20 0.70 0.00 0.00 175.22 176.62 1x0n s GLY 63 N -0.02 2.04 -0.03 4.36 0.00 -1.26 -2.82 107.32 109.58 1x0n s GLY 63 Ca -0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 1x0n s GLY 63 CO 0.01 1.06 0.01 0.28 0.00 0.00 0.00 173.10 174.46 1x0n n LYS 64 N 4.86 -1.01 -3.72 2.90 4.76 -1.24 -4.95 118.16 119.75 1x0n n LYS 64 Ca -0.05 1.17 -0.12 0.00 -2.87 0.00 0.00 58.31 56.44 1x0n n LYS 64 Cb 0.50 -1.34 -0.11 0.00 -1.84 0.00 0.00 35.03 32.25 1x0n n LYS 64 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1x0n s ILE 65 N -0.65 -0.01 0.44 -0.18 -4.36 -1.26 -5.03 121.20 110.15 1x0n s ILE 65 Ca -0.01 0.05 -0.24 0.00 -0.26 0.00 0.00 60.65 60.20 1x0n s ILE 65 Cb 0.00 -0.54 -0.08 0.00 1.25 0.00 0.00 42.46 43.09 1x0n s ILE 65 CO 0.08 0.02 1.17 -2.16 0.24 0.00 0.00 174.94 174.29 1x0n s PRO 66 N 0.80 3.83 0.52 0.37 0.04 -1.26 -4.85 135.00 134.44 1x0n s PRO 66 Ca -0.05 1.80 0.38 0.00 0.04 0.00 0.00 61.00 63.18 1x0n s PRO 66 Cb -0.06 -2.48 1.54 0.00 0.04 0.00 0.00 34.50 33.55 1x0n s PRO 66 CO -0.06 -0.50 1.70 0.07 0.04 0.00 0.00 177.00 178.25 1x0n h ARG 67 N 2.20 0.05 0.23 4.56 0.11 -2.01 0.21 114.38 119.74 1x0n h ARG 67 Ca -0.49 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.57 1x0n h ARG 67 Cb 1.24 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1x0n h ARG 67 CO 0.61 0.04 -0.11 0.00 0.10 0.00 0.00 179.97 180.60 1x0n h ALA 68 N 1.34 -0.31 -0.35 0.08 0.00 -2.00 -2.38 119.26 115.64 1x0n h ALA 68 Ca 0.73 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.58 1x0n h ALA 68 Cb 2.71 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 20.56 1x0n h ALA 68 CO -0.11 -0.61 0.00 -0.22 0.00 0.00 0.00 179.25 178.32 1x0n h LYS 69 N -0.44 0.10 0.01 0.00 1.63 -0.94 -2.02 116.57 114.91 1x0n h LYS 69 Ca -0.03 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.79 1x0n h LYS 69 Cb 0.33 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.89 1x0n h LYS 69 CO 0.05 0.06 -0.41 0.00 -3.45 0.00 0.00 179.45 175.71 1x0n h ALA 70 N 1.30 -0.66 -0.98 5.00 0.00 -1.42 0.10 119.26 122.61 1x0n h ALA 70 Ca 0.17 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.24 1x0n h ALA 70 Cb 0.23 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1x0n h ALA 70 CO -0.28 -0.95 0.62 0.93 0.00 0.00 0.00 179.25 179.57 1x0n h GLU 71 N -0.57 0.60 -0.38 0.00 5.08 -1.10 0.45 114.58 118.66 1x0n h GLU 71 Ca 0.05 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1x0n h GLU 71 Cb 0.65 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1x0n h GLU 71 CO -0.31 0.40 -0.24 0.93 -1.00 0.00 0.00 179.01 178.79 1x0n h GLU 72 N 0.62 0.83 -0.49 2.33 4.39 -0.46 0.40 114.58 122.21 1x0n h GLU 72 Ca 0.55 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1x0n h GLU 72 Cb 1.05 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1x0n h GLU 72 CO -0.31 1.02 0.28 0.52 -1.16 0.00 0.00 179.01 179.36 1x0n h MET 73 N 0.63 0.66 0.00 2.33 2.86 0.13 -2.03 114.93 119.51 1x0n h MET 73 Ca 0.08 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1x0n h MET 73 Cb 0.81 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 1x0n h MET 73 CO 0.07 0.48 -0.02 -0.07 1.06 0.00 0.00 176.91 178.43 1x0n h LEU 74 N 0.68 0.00 -0.75 1.22 3.38 -1.15 -3.35 115.31 115.34 1x0n h LEU 74 Ca 0.18 -0.45 0.14 0.00 0.09 0.00 0.00 57.88 57.83 1x0n h LEU 74 Cb -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 1x0n h LEU 74 CO -0.03 0.73 -0.29 -1.28 0.09 0.00 0.00 178.44 177.67 1x0n h SER 75 N -1.00 -1.03 -1.29 -0.43 0.87 -0.88 0.76 113.55 110.56 1x0n h SER 75 Ca -0.00 0.25 0.37 0.00 -1.23 0.00 0.00 61.79 61.18 1x0n h SER 75 Cb 0.46 0.57 -0.07 0.00 -0.44 0.00 0.00 62.40 62.92 1x0n h SER 75 CO -0.00 -0.28 0.90 0.07 -0.53 0.00 0.00 176.83 176.98 1x0n h LYS 76 N -0.07 0.09 -7.05 2.24 2.10 -1.52 -3.41 116.57 108.95 1x0n h LYS 76 Ca 0.32 -0.01 -0.43 0.00 -2.00 0.00 0.00 60.65 58.53 1x0n h LYS 76 Cb 0.57 -0.02 0.22 0.00 -0.90 0.00 0.00 32.23 32.10 1x0n h LYS 76 CO -0.79 0.06 -0.17 1.04 -2.00 0.00 0.00 179.45 177.59 1x0n n GLN 77 N -4.31 -2.60 -0.06 0.07 1.13 0.27 -4.99 117.38 106.89 1x0n n GLN 77 Ca 0.30 -0.73 -0.07 0.00 -1.94 0.00 0.00 57.00 54.56 1x0n n GLN 77 Cb 1.31 -2.09 -0.10 0.00 0.11 0.00 0.00 30.24 29.47 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 -4.71 1.70 -0.59 -1.09 5.12 -1.26 -5.02 116.66 110.81 1x0n n ARG 78 Ca 0.02 0.01 -0.14 0.00 -1.93 0.00 0.00 57.85 55.81 1x0n n ARG 78 Cb 0.55 -1.32 0.12 0.00 -1.16 0.00 0.00 32.46 30.64 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 -2.55 -3.55 -4.08 -1.55 8.25 -1.26 -5.07 115.22 105.42 1x0n n HIS 79 Ca -0.22 -0.49 -0.26 0.00 -0.26 0.00 0.00 57.72 56.49 1x0n n HIS 79 Cb 0.89 -0.53 -0.17 0.00 1.12 0.00 0.00 29.99 31.30 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 -3.01 2.04 0.00 0.41 1.01 -1.26 -4.76 116.67 111.10 1x0n s ASP 80 Ca 0.34 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 53.31 1x0n s ASP 80 Cb -0.03 -0.83 0.00 0.00 1.01 0.00 0.00 42.92 43.08 1x0n s ASP 80 CO 0.26 -0.08 0.00 0.61 0.21 0.00 0.00 175.17 176.17 1x0n n GLY 81 N 4.64 1.55 3.70 0.21 0.00 -1.12 -4.52 105.19 109.64 1x0n n GLY 81 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.01 2.48 -2.73 4.61 0.00 -1.26 -0.46 120.51 122.15 1x0n n ALA 82 Ca 0.00 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 1x0n n ALA 82 Cb 0.00 -2.56 -0.07 0.00 0.00 0.00 0.00 19.45 16.81 1x0n n ALA 82 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1x0n s PHE 83 N 2.04 3.11 -0.24 0.00 -0.12 -1.15 -1.58 117.98 120.04 1x0n s PHE 83 Ca 0.79 0.06 -0.06 0.00 -0.05 0.00 0.00 56.93 57.67 1x0n s PHE 83 Cb -0.49 -1.62 0.12 0.00 -0.63 0.00 0.00 43.02 40.40 1x0n s PHE 83 CO 0.35 0.50 0.47 -1.17 -0.05 0.00 0.00 175.22 175.32 1x0n s LEU 84 N -2.12 -0.83 -0.21 -1.99 0.20 -0.46 -4.41 118.68 108.87 1x0n s LEU 84 Ca 0.25 0.89 -0.18 0.00 0.69 0.00 0.00 54.13 55.78 1x0n s LEU 84 Cb -0.12 1.56 -0.03 0.00 -0.43 0.00 0.00 46.19 47.17 1x0n s LEU 84 CO 0.17 -0.25 0.49 -0.63 -0.29 0.00 0.00 176.35 175.84 1x0n s ILE 85 N 2.68 5.12 0.07 6.68 1.01 -0.79 -0.62 121.20 135.35 1x0n s ILE 85 Ca 0.04 0.88 0.07 0.00 0.00 0.00 0.00 60.65 61.65 1x0n s ILE 85 Cb -0.13 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1x0n s ILE 85 CO -0.16 0.18 -0.16 0.00 0.00 0.00 0.00 174.94 174.80 1x0n s ARG 86 N 1.69 2.03 -0.11 2.79 1.70 0.17 -1.07 118.95 126.16 1x0n s ARG 86 Ca 0.22 -1.03 -0.15 0.00 -0.47 0.00 0.00 55.73 54.31 1x0n s ARG 86 Cb -0.15 -2.21 -0.05 0.00 -0.57 0.00 0.00 34.95 31.97 1x0n s ARG 86 CO 0.09 0.52 0.35 -2.00 -1.08 0.00 0.00 175.30 173.18 1x0n s GLU 87 N -1.78 4.14 0.44 3.89 2.12 -1.13 -1.75 118.70 124.64 1x0n s GLU 87 Ca 0.17 0.23 -0.26 0.00 0.36 0.00 0.00 54.97 55.47 1x0n s GLU 87 Cb -0.11 -3.37 -0.09 0.00 0.26 0.00 0.00 34.13 30.83 1x0n s GLU 87 CO 0.08 0.36 1.46 -1.12 -0.54 0.00 0.00 175.26 175.50 1x0n s SER 88 N 0.05 5.94 -0.07 -1.70 0.01 -0.92 -3.70 113.70 113.31 1x0n s SER 88 Ca 0.20 2.98 -0.06 0.00 1.31 0.00 0.00 55.95 60.38 1x0n s SER 88 Cb -0.14 -2.66 -0.03 0.00 0.21 0.00 0.00 66.02 63.40 1x0n s SER 88 CO 0.07 -1.14 0.25 -0.33 0.41 0.00 0.00 173.24 172.51 1x0n h GLU 89 N 2.45 -0.21 -0.07 12.44 5.08 -1.95 -3.31 114.58 129.02 1x0n h GLU 89 Ca -0.51 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1x0n h GLU 89 Cb 1.26 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1x0n h GLU 89 CO 0.62 -0.14 0.00 0.45 -1.00 0.00 0.00 179.01 178.94 1x0n n SER 90 N -4.83 0.38 -3.37 1.42 2.88 -1.26 -4.30 113.62 104.53 1x0n n SER 90 Ca -0.03 -1.97 -0.26 0.00 -1.33 0.00 0.00 58.87 55.29 1x0n n SER 90 Cb 0.08 -0.05 -0.10 0.00 -0.75 0.00 0.00 64.21 63.40 1x0n n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x0n s ALA 91 N -1.91 1.02 -0.20 -1.46 0.00 -1.24 -5.11 121.76 112.86 1x0n s ALA 91 Ca 0.06 -2.14 -0.29 0.00 0.00 0.00 0.00 51.96 49.59 1x0n s ALA 91 Cb 0.03 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 1x0n s ALA 91 CO 0.04 -2.02 1.60 -1.25 0.00 0.00 0.00 175.76 174.13 1x0n s PRO 92 N 0.40 3.86 0.00 0.00 0.04 -1.26 -2.68 135.00 135.36 1x0n s PRO 92 Ca 0.29 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1x0n s PRO 92 Cb -0.03 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1x0n s PRO 92 CO -0.14 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.10 1x0n n GLY 93 N 4.54 1.80 3.68 0.56 0.00 -1.26 -5.08 105.19 109.42 1x0n n GLY 93 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.95 6.61 0.03 1.61 2.15 -1.09 -4.90 116.67 119.13 1x0n s ASP 94 Ca 0.00 0.74 0.01 0.00 0.43 0.00 0.00 52.55 53.73 1x0n s ASP 94 Cb 0.00 -2.30 -0.04 0.00 -0.30 0.00 0.00 42.92 40.28 1x0n s ASP 94 CO 0.00 -0.15 0.07 -0.36 -0.17 0.00 0.00 175.17 174.56 1x0n s PHE 95 N 1.41 3.22 -0.06 -5.34 0.08 -1.26 -2.17 117.98 113.85 1x0n s PHE 95 Ca 0.25 0.13 -0.02 0.00 0.12 0.00 0.00 56.93 57.41 1x0n s PHE 95 Cb -0.15 -1.68 0.04 0.00 -0.57 0.00 0.00 43.02 40.65 1x0n s PHE 95 CO 0.10 0.53 0.09 0.45 -0.10 0.00 0.00 175.22 176.29 1x0n s SER 96 N -2.00 1.02 0.03 1.36 0.15 -0.72 -1.71 113.70 111.83 1x0n s SER 96 Ca 0.25 0.16 -0.20 0.00 0.70 0.00 0.00 55.95 56.86 1x0n s SER 96 Cb -0.12 0.00 -0.06 0.00 -1.71 0.00 0.00 66.02 64.13 1x0n s SER 96 CO 0.17 -0.25 0.59 -0.22 1.20 0.00 0.00 173.24 174.73 1x0n s LEU 97 N 2.21 4.47 -0.24 3.45 1.98 -0.89 -0.66 118.68 129.00 1x0n s LEU 97 Ca 0.04 1.21 0.01 0.00 -2.89 0.00 0.00 54.13 52.50 1x0n s LEU 97 Cb -0.12 -2.91 0.06 0.00 0.66 0.00 0.00 46.19 43.88 1x0n s LEU 97 CO -0.04 0.18 -0.06 -0.55 -1.89 0.00 0.00 176.35 173.99 1x0n s SER 98 N -0.58 3.96 -0.11 3.68 0.15 0.21 -0.54 113.70 120.46 1x0n s SER 98 Ca 0.30 -1.23 -0.03 0.00 0.70 0.00 0.00 55.95 55.69 1x0n s SER 98 Cb -0.19 -1.24 -0.03 0.00 -1.71 0.00 0.00 66.02 62.85 1x0n s SER 98 CO 0.18 -0.23 0.01 -0.69 1.20 0.00 0.00 173.24 173.71 1x0n s VAL 99 N 1.34 4.38 -0.10 4.45 1.01 -0.19 -1.35 120.40 129.94 1x0n s VAL 99 Ca -0.06 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 1x0n s VAL 99 Cb -0.19 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1x0n s VAL 99 CO -0.06 0.57 0.71 -0.75 0.00 0.00 0.00 175.10 175.57 1x0n s LYS 100 N -0.56 4.38 -0.26 2.72 2.20 -0.62 -0.38 119.74 127.23 1x0n s LYS 100 Ca 0.10 0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 56.55 1x0n s LYS 100 Cb -0.12 -3.49 0.08 0.00 -1.51 0.00 0.00 37.83 32.79 1x0n s LYS 100 CO 0.02 -0.05 0.05 -0.06 -0.36 0.00 0.00 175.35 174.95 1x0n s PHE 101 N 1.19 1.65 0.00 4.03 0.08 -0.01 -2.77 117.98 122.15 1x0n s PHE 101 Ca 0.36 -1.47 0.00 0.00 0.12 0.00 0.00 56.93 55.95 1x0n s PHE 101 Cb -0.17 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 1x0n s PHE 101 CO 0.16 -0.77 0.00 0.41 -0.10 0.00 0.00 175.22 174.92 1x0n n GLY 102 N 4.87 2.83 1.60 4.36 0.00 -1.26 0.13 105.19 117.72 1x0n n GLY 102 Ca -0.06 0.31 0.08 0.00 0.00 0.00 0.00 46.02 46.35 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 7.52 5.19 -3.71 1.61 4.13 -1.26 -4.89 115.26 123.85 1x0n n ASN 103 Ca 0.00 -2.94 -0.14 0.00 1.68 0.00 0.00 54.58 53.18 1x0n n ASN 103 Cb 0.00 -0.64 -0.14 0.00 -1.54 0.00 0.00 39.78 37.45 1x0n n ASN 103 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1x0n s ASP 104 N -1.11 0.16 -0.38 6.41 1.11 0.12 -5.13 116.67 117.85 1x0n s ASP 104 Ca 0.51 0.36 -0.17 0.00 0.18 0.00 0.00 52.55 53.43 1x0n s ASP 104 Cb 0.39 0.28 0.00 0.00 1.07 0.00 0.00 42.92 44.67 1x0n s ASP 104 CO 0.14 -0.19 0.44 -0.69 1.18 0.00 0.00 175.17 176.05 1x0n s VAL 105 N 1.61 5.09 0.70 -1.27 1.01 -1.26 -0.83 120.40 125.45 1x0n s VAL 105 Ca -0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 1x0n s VAL 105 Cb -0.12 -3.96 0.09 0.00 0.00 0.00 0.00 36.38 32.40 1x0n s VAL 105 CO -0.06 -0.27 0.98 -1.10 0.00 0.00 0.00 175.10 174.64 1x0n s GLN 106 N 2.18 1.93 0.19 2.72 -0.21 0.49 -4.91 119.66 122.06 1x0n s GLN 106 Ca 0.14 -0.71 -0.16 0.00 0.02 0.00 0.00 55.36 54.64 1x0n s GLN 106 Cb -0.16 -2.27 0.02 0.00 1.00 0.00 0.00 33.01 31.59 1x0n s GLN 106 CO 0.13 -1.30 0.48 -1.01 -2.12 0.00 0.00 175.29 171.47 1x0n s HIS 107 N -3.15 -0.04 -0.04 0.91 3.76 -1.26 -1.02 115.29 114.45 1x0n s HIS 107 Ca 0.63 -0.31 -0.00 0.00 -0.15 0.00 0.00 55.06 55.23 1x0n s HIS 107 Cb -0.08 0.32 0.03 0.00 1.11 0.00 0.00 32.58 33.96 1x0n s HIS 107 CO 0.44 -0.88 0.02 -0.06 -0.85 0.00 0.00 174.74 173.40 1x0n s PHE 108 N -3.89 0.27 -0.27 1.40 0.40 0.29 -4.98 117.98 111.20 1x0n s PHE 108 Ca 0.10 0.05 -0.29 0.00 -0.60 0.00 0.00 56.93 56.20 1x0n s PHE 108 Cb -0.00 -0.46 0.00 0.00 0.51 0.00 0.00 43.02 43.07 1x0n s PHE 108 CO -0.02 -0.17 1.22 0.15 0.70 0.00 0.00 175.22 177.09 1x0n s LYS 109 N 1.43 4.05 0.01 0.44 -0.14 -1.26 -2.09 119.74 122.18 1x0n s LYS 109 Ca -0.04 1.30 -0.18 0.00 -1.36 0.00 0.00 55.97 55.69 1x0n s LYS 109 Cb -0.13 -3.80 -0.06 0.00 -1.68 0.00 0.00 37.83 32.16 1x0n s LYS 109 CO -0.03 -0.94 0.51 0.08 -0.76 0.00 0.00 175.35 174.22 1x0n s VAL 110 N 3.91 4.91 0.06 3.17 1.01 -0.69 -4.88 120.40 127.89 1x0n s VAL 110 Ca 0.52 1.08 0.09 0.00 0.00 0.00 0.00 61.98 63.66 1x0n s VAL 110 Cb -0.16 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1x0n s VAL 110 CO 0.18 0.51 -0.23 -0.76 0.00 0.00 0.00 175.10 174.80 1x0n s LEU 111 N -0.73 2.40 0.03 3.92 1.02 -1.02 -4.21 118.68 120.10 1x0n s LEU 111 Ca 0.27 -0.55 0.02 0.00 0.02 0.00 0.00 54.13 53.89 1x0n s LEU 111 Cb -0.18 -1.39 -0.02 0.00 0.02 0.00 0.00 46.19 44.62 1x0n s LEU 111 CO 0.16 0.24 -0.06 -0.13 0.02 0.00 0.00 176.35 176.58 1x0n s ARG 112 N -1.51 0.45 0.26 1.70 0.52 -1.26 -1.67 118.95 117.44 1x0n s ARG 112 Ca 0.14 -0.68 -0.14 0.00 -0.52 0.00 0.00 55.73 54.53 1x0n s ARG 112 Cb -0.10 -0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.19 1x0n s ARG 112 CO 0.05 0.02 0.53 -0.51 0.02 0.00 0.00 175.30 175.40 1x0n s ASP 113 N -1.46 -0.09 0.00 0.23 1.11 -1.05 -4.99 116.67 110.41 1x0n s ASP 113 Ca -0.11 -0.90 0.00 0.00 0.18 0.00 0.00 52.55 51.72 1x0n s ASP 113 Cb -0.10 0.62 0.00 0.00 1.07 0.00 0.00 42.92 44.51 1x0n s ASP 113 CO -0.00 -1.19 0.00 0.61 1.18 0.00 0.00 175.17 175.77 1x0n n GLY 114 N -0.40 1.76 1.84 0.21 0.00 -1.26 -3.31 105.19 104.02 1x0n n GLY 114 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.01 0.00 -2.73 4.61 0.00 -1.26 -5.01 120.51 116.14 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 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.41 1.68 3.46 0.00 0.00 -1.25 -5.07 105.19 102.58 1x0n n GLY 116 Ca 0.00 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.36 3.42 0.26 1.61 1.02 -1.21 -4.58 119.74 117.90 1x0n s LYS 117 Ca 0.23 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.58 1x0n s LYS 117 Cb 0.34 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 1x0n s LYS 117 CO -0.07 -0.38 0.42 0.71 -0.92 0.00 0.00 175.35 175.11 1x0n s TYR 118 N 1.63 3.48 -0.05 3.18 1.51 -0.90 -2.53 117.35 123.66 1x0n s TYR 118 Ca 0.05 0.21 -0.29 0.00 -1.01 0.00 0.00 57.07 56.02 1x0n s TYR 118 Cb -0.17 -1.76 0.10 0.00 -0.11 0.00 0.00 41.96 40.03 1x0n s TYR 118 CO 0.07 0.33 0.88 -0.59 -1.11 0.00 0.00 175.55 175.13 1x0n s PHE 119 N -2.04 -0.41 0.00 2.71 -0.12 -0.67 -0.39 117.98 117.07 1x0n s PHE 119 Ca 0.37 0.48 0.00 0.00 -0.05 0.00 0.00 56.93 57.73 1x0n s PHE 119 Cb -0.10 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.78 1x0n s PHE 119 CO 0.31 -0.50 0.00 1.28 -0.05 0.00 0.00 175.22 176.26 1x0n n LEU 120 N 0.23 0.00 -4.35 -1.99 4.77 -0.98 -2.42 117.00 112.27 1x0n n LEU 120 Ca -0.11 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.42 1x0n n LEU 120 Cb 0.60 0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.73 1x0n n LEU 120 CO 0.14 -0.19 0.34 0.26 -1.33 0.00 0.00 177.39 176.61 1x0n s TRP 121 N -0.39 3.18 -0.82 -1.77 0.52 -1.26 -4.64 118.94 113.76 1x0n s TRP 121 Ca 0.00 -1.21 -0.09 0.00 0.02 0.00 0.00 56.10 54.82 1x0n s TRP 121 Cb 0.00 -3.93 0.09 0.00 -1.15 0.00 0.00 33.47 28.48 1x0n s TRP 121 CO 0.00 -1.18 0.22 1.33 0.02 0.00 0.00 176.95 177.35 1x0n n VAL 122 N 5.27 -0.08 -3.65 4.03 0.24 -1.26 -4.80 118.33 118.08 1x0n n VAL 122 Ca -0.07 -0.04 -0.14 0.00 -2.04 0.00 0.00 64.34 62.05 1x0n n VAL 122 Cb 0.42 -0.26 -0.07 0.00 -1.47 0.00 0.00 33.84 32.47 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 -2.28 0.04 0.30 3.34 0.11 -1.26 -5.18 120.40 115.47 1x0n s VAL 123 Ca 0.31 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 1x0n s VAL 123 Cb -0.18 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.75 1x0n s VAL 123 CO 0.46 -0.18 0.09 -1.59 -3.33 0.00 0.00 175.10 170.54 1x0n s LYS 124 N -1.83 1.55 0.31 1.54 -2.85 -1.26 -2.31 119.74 114.89 1x0n s LYS 124 Ca -0.09 -1.86 -0.15 0.00 -1.00 0.00 0.00 55.97 52.87 1x0n s LYS 124 Cb -0.02 -0.51 0.02 0.00 -2.06 0.00 0.00 37.83 35.27 1x0n s LYS 124 CO 0.03 -0.28 0.65 -0.06 0.10 0.00 0.00 175.35 175.79 1x0n s PHE 125 N -3.53 0.18 -0.18 1.78 0.40 0.48 -4.94 117.98 112.17 1x0n s PHE 125 Ca 0.36 -0.64 0.09 0.00 -0.60 0.00 0.00 56.93 56.14 1x0n s PHE 125 Cb 0.08 0.52 -0.23 0.00 0.51 0.00 0.00 43.02 43.90 1x0n s PHE 125 CO 0.15 -1.26 0.14 0.09 0.70 0.00 0.00 175.22 175.04 1x0n n ASN 126 N -0.80 1.00 -4.36 1.36 3.02 -1.26 -2.11 115.26 112.10 1x0n n ASN 126 Ca -0.04 0.07 -0.18 0.00 -0.03 0.00 0.00 54.58 54.40 1x0n n ASN 126 Cb 0.60 0.16 -0.10 0.00 -0.61 0.00 0.00 39.78 39.83 1x0n n ASN 126 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1x0n s SER 127 N -6.10 1.62 -0.04 6.41 1.04 -1.26 -4.68 113.70 110.69 1x0n s SER 127 Ca -0.17 -1.36 -0.22 0.00 0.48 0.00 0.00 55.95 54.68 1x0n s SER 127 Cb 0.07 0.07 -0.30 0.00 0.10 0.00 0.00 66.02 65.96 1x0n s SER 127 CO 0.76 -0.66 0.92 -0.07 0.98 0.00 0.00 173.24 175.17 1x0n h LEU 128 N 2.32 0.46 -1.35 2.42 3.38 -1.95 -3.30 115.31 117.30 1x0n h LEU 128 Ca -0.39 -0.93 0.24 0.00 0.09 0.00 0.00 57.88 56.89 1x0n h LEU 128 Cb 1.24 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.75 1x0n h LEU 128 CO 0.64 1.35 0.65 -1.13 0.09 0.00 0.00 178.44 180.04 1x0n h ASN 129 N -0.36 0.49 0.56 -0.43 -0.73 -1.99 0.77 115.58 113.88 1x0n h ASN 129 Ca -0.13 0.08 -0.05 0.00 1.87 0.00 0.00 56.30 58.07 1x0n h ASN 129 Cb 1.57 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 40.15 1x0n h ASN 129 CO 0.14 0.13 -0.22 -0.33 -0.37 0.00 0.00 177.43 176.78 1x0n h GLU 130 N 0.45 0.00 0.05 6.67 4.39 -2.00 -2.13 114.58 122.01 1x0n h GLU 130 Ca 0.56 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.26 1x0n h GLU 130 Cb 1.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1x0n h GLU 130 CO -0.28 0.22 -0.02 -0.07 -1.16 0.00 0.00 179.01 177.69 1x0n h LEU 131 N 0.00 -0.06 -1.41 1.33 4.07 0.43 -2.53 115.31 117.14 1x0n h LEU 131 Ca -0.00 -0.32 0.13 0.00 0.08 0.00 0.00 57.88 57.77 1x0n h LEU 131 Cb 0.56 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.25 1x0n h LEU 131 CO 0.03 0.58 0.53 -0.37 -1.08 0.00 0.00 178.44 178.13 1x0n h VAL 132 N -0.99 0.86 0.20 1.22 -1.51 -1.36 0.28 116.25 114.95 1x0n h VAL 132 Ca -0.01 -0.21 -0.01 0.00 -1.23 0.00 0.00 66.70 65.25 1x0n h VAL 132 Cb 0.37 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.74 1x0n h VAL 132 CO 0.01 0.11 -0.10 0.44 -1.23 0.00 0.00 177.57 176.80 1x0n h ASP 133 N 0.60 -0.23 -1.09 4.19 5.19 -1.49 -1.20 116.42 122.40 1x0n h ASP 133 Ca 0.39 0.01 0.31 0.00 -0.62 0.00 0.00 57.03 57.12 1x0n h ASP 133 Cb 0.67 0.06 -0.06 0.00 0.18 0.00 0.00 39.33 40.19 1x0n h ASP 133 CO -0.15 -0.07 0.76 0.22 -3.12 0.00 0.00 179.24 176.88 1x0n h TYR 134 N -0.47 0.17 0.00 4.55 3.20 -1.31 0.91 116.97 124.01 1x0n h TYR 134 Ca -0.03 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.70 1x0n h TYR 134 Cb 0.21 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1x0n h TYR 134 CO 0.07 0.02 -0.70 0.45 -1.64 0.00 0.00 178.16 176.35 1x0n h HIS 135 N 0.10 0.00 0.00 -3.82 3.86 -0.96 -1.97 115.15 112.36 1x0n h HIS 135 Ca 0.54 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.69 1x0n h HIS 135 Cb 1.95 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.42 1x0n h HIS 135 CO -0.00 0.70 -0.27 0.07 0.86 0.00 0.00 177.93 179.29 1x0n h ARG 136 N 0.00 0.00 0.00 2.45 -0.00 0.21 -3.15 114.38 113.89 1x0n h ARG 136 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.75 1x0n h ARG 136 Cb 1.43 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 31.36 1x0n h ARG 136 CO 0.09 0.27 -1.83 -1.13 -0.00 0.00 0.00 179.97 177.37 1x0n n SER 137 N -3.35 0.47 -4.65 0.08 3.41 -0.80 -4.32 113.62 104.47 1x0n n SER 137 Ca 0.01 0.21 -0.27 0.00 -0.26 0.00 0.00 58.87 58.55 1x0n n SER 137 Cb 0.50 0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 65.03 1x0n n SER 137 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1x0n s THR 138 N -2.84 3.66 0.96 6.66 -1.32 -0.75 -5.09 115.64 116.92 1x0n s THR 138 Ca -0.06 -1.38 -0.15 0.00 -1.21 0.00 0.00 61.69 58.89 1x0n s THR 138 Cb 0.09 -2.81 -0.07 0.00 -1.51 0.00 0.00 72.50 68.19 1x0n s THR 138 CO 0.83 -0.06 -0.24 -1.54 -2.21 0.00 0.00 174.62 171.40 1x0n n SER 139 N 0.07 -4.18 0.00 8.08 3.41 -1.26 -4.65 113.62 115.09 1x0n n SER 139 Ca -0.10 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1x0n n SER 139 Cb 0.54 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 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 -2.92 0.00 -2.89 -3.33 0.24 -1.16 -4.93 118.33 103.34 1x0n n VAL 140 Ca 0.02 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.02 1x0n n VAL 140 Cb 0.55 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.88 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 -2.06 6.57 0.00 -1.34 1.04 -1.26 -4.98 113.70 111.67 1x0n s SER 141 Ca 0.00 1.17 0.23 0.00 0.48 0.00 0.00 55.95 57.83 1x0n s SER 141 Cb 0.00 -2.34 0.63 0.00 0.10 0.00 0.00 66.02 64.41 1x0n s SER 141 CO 0.00 -0.37 1.53 0.54 0.98 0.00 0.00 173.24 175.92 1x0n n ARG 142 N -1.14 2.70 -0.02 4.02 5.12 -1.26 -4.33 116.66 121.75 1x0n n ARG 142 Ca 0.03 -2.63 -0.02 0.00 -1.93 0.00 0.00 57.85 53.29 1x0n n ARG 142 Cb 0.54 -1.57 -0.02 0.00 -1.16 0.00 0.00 32.46 30.25 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 1.66 3.79 -2.33 0.55 2.85 -1.26 -5.10 115.26 115.42 1x0n n ASN 143 Ca 0.24 -0.02 -0.10 0.00 -0.11 0.00 0.00 54.58 54.59 1x0n n ASN 143 Cb 0.63 0.01 -0.03 0.00 1.24 0.00 0.00 39.78 41.62 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 -2.55 0.55 -2.65 1.20 6.02 -1.26 -5.07 117.38 113.61 1x0n n GLN 144 Ca -0.06 -1.51 -0.36 0.00 -0.01 0.00 0.00 57.00 55.06 1x0n n GLN 144 Cb 0.57 0.98 0.00 0.00 1.02 0.00 0.00 30.24 32.81 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 -0.36 4.39 -3.27 -1.09 10.64 -1.26 -4.29 117.38 122.14 1x0n n GLN 145 Ca -0.00 -4.61 -0.25 0.00 -1.83 0.00 0.00 57.00 50.31 1x0n n GLN 145 Cb 0.27 -2.37 -0.01 0.00 -0.86 0.00 0.00 30.24 27.27 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 -4.53 5.07 0.40 -0.39 1.01 -1.26 -4.96 121.20 116.54 1x0n s ILE 146 Ca 0.44 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.84 1x0n s ILE 146 Cb 0.26 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.80 1x0n s ILE 146 CO -0.17 -0.58 0.02 -0.36 0.00 0.00 0.00 174.94 173.86 1x0n s PHE 147 N -2.35 2.39 -0.50 3.97 0.08 -1.26 -2.97 117.98 117.34 1x0n s PHE 147 Ca 0.41 -0.74 -0.27 0.00 0.12 0.00 0.00 56.93 56.45 1x0n s PHE 147 Cb -0.10 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.71 1x0n s PHE 147 CO 0.37 0.35 1.07 -0.51 -0.10 0.00 0.00 175.22 176.41 1x0n s LEU 148 N -3.67 3.74 0.19 -0.37 1.43 -1.26 -4.57 118.68 114.17 1x0n s LEU 148 Ca 0.35 0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.37 1x0n s LEU 148 Cb 0.10 -3.31 -0.08 0.00 0.03 0.00 0.00 46.19 42.93 1x0n s LEU 148 CO 0.17 -1.25 0.99 -0.13 0.23 0.00 0.00 176.35 176.36 1x0n s ARG 149 N 4.33 4.74 -0.11 1.70 1.81 0.40 -4.70 118.95 127.12 1x0n s ARG 149 Ca 0.42 1.55 -0.29 0.00 -1.72 0.00 0.00 55.73 55.69 1x0n s ARG 149 Cb -0.08 -3.30 -0.06 0.00 -0.45 0.00 0.00 34.95 31.05 1x0n s ARG 149 CO 0.28 0.32 2.00 0.34 -0.68 0.00 0.00 175.30 177.56 1x0n s ASP 150 N -0.61 6.05 0.10 0.23 2.15 -1.26 -2.91 116.67 120.41 1x0n s ASP 150 Ca 0.45 2.17 -0.31 0.00 0.43 0.00 0.00 52.55 55.29 1x0n s ASP 150 Cb -0.26 -2.52 -0.07 0.00 -0.30 0.00 0.00 42.92 39.77 1x0n s ASP 150 CO 0.33 -1.45 1.25 -0.51 -0.17 0.00 0.00 175.17 174.62 1x0n s ILE 151 N 6.11 3.75 -0.90 4.11 2.07 -1.26 -4.95 121.20 130.13 1x0n s ILE 151 Ca 0.90 1.30 -0.25 0.00 -1.41 0.00 0.00 60.65 61.19 1x0n s ILE 151 Cb -0.35 -3.83 0.04 0.00 0.13 0.00 0.00 42.46 38.45 1x0n s ILE 151 CO 0.37 0.12 1.37 -1.61 -1.91 0.00 0.00 174.94 173.28 1x0n s GLU 152 N 0.82 3.42 1.12 3.50 2.02 -1.26 -4.73 118.70 123.58 1x0n s GLU 152 Ca 0.59 -0.76 -0.18 0.00 0.02 0.00 0.00 54.97 54.64 1x0n s GLU 152 Cb -0.32 -4.85 0.13 0.00 0.10 0.00 0.00 34.13 29.19 1x0n s GLU 152 CO 0.31 -2.17 0.08 0.94 0.02 0.00 0.00 175.26 174.43 1x0n n GLN 153 N 9.04 -1.90 -1.40 1.61 7.27 -1.26 -4.66 117.38 126.08 1x0n n GLN 153 Ca 0.20 -0.55 -0.54 0.00 0.07 0.00 0.00 57.00 56.18 1x0n n GLN 153 Cb 0.50 -1.65 -0.08 0.00 2.41 0.00 0.00 30.24 31.42 1x0n n GLN 153 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1x0n n VAL 154 N -4.50 0.00 -1.68 1.69 3.14 -1.26 -4.87 118.33 110.85 1x0n n VAL 154 Ca 0.02 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.07 1x0n n VAL 154 Cb 0.57 -0.33 0.05 0.00 -1.06 0.00 0.00 33.84 33.08 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 1.97 2.72 -0.42 1.45 0.04 -1.26 -5.04 135.00 134.45 1x0n s PRO 155 Ca 0.84 1.35 0.05 0.00 0.04 0.00 0.00 61.00 63.28 1x0n s PRO 155 Cb -1.20 -1.94 0.18 0.00 0.04 0.00 0.00 34.50 31.58 1x0n s PRO 155 CO 0.63 -1.31 0.40 0.94 0.04 0.00 0.00 177.00 177.70 1x0n n GLN 156 N -2.59 0.25 -1.68 4.56 7.27 -1.26 -5.11 117.38 118.82 1x0n n GLN 156 Ca 0.10 -3.02 -0.45 0.00 0.07 0.00 0.00 57.00 53.70 1x0n n GLN 156 Cb 0.52 -1.62 -0.04 0.00 2.41 0.00 0.00 30.24 31.51 1x0n n GLN 156 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1x0n n GLN 157 N 2.79 2.47 -1.22 3.69 7.27 -1.26 -4.96 117.38 126.16 1x0n n GLN 157 Ca 0.28 0.90 -0.30 0.00 0.07 0.00 0.00 57.00 57.95 1x0n n GLN 157 Cb 0.49 -2.75 0.13 0.00 2.41 0.00 0.00 30.24 30.52 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 2.80 1.50 0.00 3.69 0.04 -1.26 -5.36 135.00 136.41 1x0n s PRO 158 Ca 0.85 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1x0n s PRO 158 Cb -0.59 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1x0n s PRO 158 CO 0.42 -2.10 0.00 -2.37 0.04 0.00 0.00 177.00 172.99