#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0n s PHE 61 N 0.00 3.38 -0.03 -2.67 5.36 -1.26 -2.04 117.98 120.72 1x0n s PHE 61 Ca 0.00 0.16 0.01 0.00 -0.96 0.00 0.00 56.93 56.13 1x0n s PHE 61 Cb 0.00 -1.68 0.02 0.00 -0.34 0.00 0.00 43.02 41.02 1x0n s PHE 61 CO 0.00 0.55 -0.01 -0.06 -1.46 0.00 0.00 175.22 174.24 1x0n s PHE 62 N -1.53 0.36 0.00 10.12 0.40 0.45 -4.93 117.98 122.85 1x0n s PHE 62 Ca 0.33 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.62 1x0n s PHE 62 Cb -0.12 -0.40 0.00 0.00 0.51 0.00 0.00 43.02 43.01 1x0n s PHE 62 CO 0.26 -0.11 0.00 0.41 0.70 0.00 0.00 175.22 176.48 1x0n n GLY 63 N 3.91 -2.85 3.55 4.36 0.00 -1.26 -2.39 105.19 110.50 1x0n n GLY 63 Ca -0.24 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 1x0n n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x0n n LYS 64 N -0.65 0.88 -4.69 1.61 4.01 -1.26 -3.96 118.16 114.10 1x0n n LYS 64 Ca 0.00 -0.18 -0.24 0.00 -0.51 0.00 0.00 58.31 57.38 1x0n n LYS 64 Cb 0.00 -3.39 -0.16 0.00 -0.51 0.00 0.00 35.03 30.98 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 12.53 1.20 0.30 -0.18 -4.36 -1.26 -5.06 121.20 124.36 1x0n s ILE 65 Ca 0.99 -0.61 -0.29 0.00 -0.26 0.00 0.00 60.65 60.48 1x0n s ILE 65 Cb -0.22 -1.03 -0.10 0.00 1.25 0.00 0.00 42.46 42.36 1x0n s ILE 65 CO 0.24 0.35 1.23 -2.16 0.24 0.00 0.00 174.94 174.84 1x0n s PRO 66 N -0.06 4.46 0.22 0.37 0.04 -1.26 -4.79 135.00 133.97 1x0n s PRO 66 Ca -0.00 2.06 0.05 0.00 0.04 0.00 0.00 61.00 63.14 1x0n s PRO 66 Cb -0.09 -3.12 0.62 0.00 0.04 0.00 0.00 34.50 31.95 1x0n s PRO 66 CO 0.01 -0.05 1.03 0.54 0.04 0.00 0.00 177.00 178.57 1x0n n ARG 67 N 1.07 -0.05 0.01 4.56 1.74 -1.26 0.16 116.66 122.90 1x0n n ARG 67 Ca 0.00 0.96 -0.10 0.00 -0.77 0.00 0.00 57.85 57.94 1x0n n ARG 67 Cb 0.43 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1x0n n ARG 67 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x0n h ALA 68 N 1.31 -0.16 -0.46 7.54 0.00 -2.00 -1.15 119.26 124.35 1x0n h ALA 68 Ca 0.45 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.48 1x0n h ALA 68 Cb 1.02 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1x0n h ALA 68 CO -0.58 -0.66 0.05 -0.22 0.00 0.00 0.00 179.25 177.84 1x0n h LYS 69 N -0.26 0.16 -0.30 0.00 1.63 0.13 -1.88 116.57 116.05 1x0n h LYS 69 Ca 0.09 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.93 1x0n h LYS 69 Cb 0.39 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.94 1x0n h LYS 69 CO -0.26 0.11 0.03 0.00 -3.45 0.00 0.00 179.45 175.88 1x0n h ALA 70 N 1.38 0.29 -0.52 5.00 0.00 -1.06 0.11 119.26 124.47 1x0n h ALA 70 Ca 0.23 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1x0n h ALA 70 Cb 0.32 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1x0n h ALA 70 CO -0.34 -0.38 0.35 0.93 0.00 0.00 0.00 179.25 179.82 1x0n h GLU 71 N 0.13 0.26 0.00 0.00 5.08 -0.49 -1.79 114.58 117.77 1x0n h GLU 71 Ca 0.14 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.33 1x0n h GLU 71 Cb 0.17 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1x0n h GLU 71 CO -0.22 0.17 -0.61 0.93 -1.00 0.00 0.00 179.01 178.29 1x0n h GLU 72 N 0.27 0.41 -0.61 2.33 4.39 -0.44 0.23 114.58 121.16 1x0n h GLU 72 Ca 0.24 -0.44 0.12 0.00 0.34 0.00 0.00 59.36 59.62 1x0n h GLU 72 Cb 0.59 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.33 1x0n h GLU 72 CO -0.05 1.11 0.42 0.52 -1.16 0.00 0.00 179.01 179.84 1x0n h MET 73 N -0.10 0.29 0.08 2.33 2.86 -0.19 0.56 114.93 120.75 1x0n h MET 73 Ca -0.08 -0.02 -0.29 0.00 -2.06 0.00 0.00 59.70 57.25 1x0n h MET 73 Cb 1.32 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 1x0n h MET 73 CO 0.12 0.19 -1.58 -0.07 1.06 0.00 0.00 176.91 176.63 1x0n h LEU 74 N 0.30 0.27 -1.01 1.22 3.38 -1.43 -3.36 115.31 114.68 1x0n h LEU 74 Ca 0.29 -0.78 0.10 0.00 0.09 0.00 0.00 57.88 57.58 1x0n h LEU 74 Cb 0.73 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.32 1x0n h LEU 74 CO -0.07 1.67 0.64 -1.28 0.09 0.00 0.00 178.44 179.49 1x0n h SER 75 N -0.39 0.97 0.17 -0.43 0.87 -0.51 0.14 113.55 114.38 1x0n h SER 75 Ca -0.36 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.22 1x0n h SER 75 Cb 1.72 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1x0n h SER 75 CO -0.02 0.56 -0.03 0.07 -0.53 0.00 0.00 176.83 176.88 1x0n h LYS 76 N 1.07 0.00 -7.27 2.24 2.10 -1.06 -3.43 116.57 110.21 1x0n h LYS 76 Ca 0.47 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.64 1x0n h LYS 76 Cb 0.37 0.00 0.17 0.00 -0.90 0.00 0.00 32.23 31.87 1x0n h LYS 76 CO -0.23 0.03 0.20 -0.65 -2.00 0.00 0.00 179.45 176.80 1x0n s GLN 77 N -4.31 0.79 -0.18 0.07 -1.52 0.49 -4.99 119.66 110.00 1x0n s GLN 77 Ca -0.04 1.05 0.12 0.00 -1.95 0.00 0.00 55.36 54.55 1x0n s GLN 77 Cb 0.14 -1.74 -0.20 0.00 -0.22 0.00 0.00 33.01 30.99 1x0n s GLN 77 CO 0.52 -2.63 0.00 0.54 -0.25 0.00 0.00 175.29 173.47 1x0n n ARG 78 N -4.18 1.03 -0.15 2.91 5.12 -1.26 -5.00 116.66 115.12 1x0n n ARG 78 Ca 0.08 0.02 -0.04 0.00 -1.93 0.00 0.00 57.85 55.97 1x0n n ARG 78 Cb 0.54 -1.45 0.04 0.00 -1.16 0.00 0.00 32.46 30.43 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 -2.76 -3.11 -3.85 -1.55 8.25 -1.26 -5.06 115.22 105.88 1x0n n HIS 79 Ca -0.31 -0.15 -0.26 0.00 -0.26 0.00 0.00 57.72 56.75 1x0n n HIS 79 Cb 1.03 -0.17 -0.17 0.00 1.12 0.00 0.00 29.99 31.81 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 -1.94 2.11 0.00 0.41 1.01 -1.26 -4.79 116.67 112.21 1x0n s ASP 80 Ca 0.10 -0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.06 1x0n s ASP 80 Cb -0.01 -0.70 0.00 0.00 1.01 0.00 0.00 42.92 43.22 1x0n s ASP 80 CO 0.08 -0.16 0.00 0.61 0.21 0.00 0.00 175.17 175.91 1x0n n GLY 81 N 5.01 1.80 3.71 0.21 0.00 -1.22 -4.50 105.19 110.20 1x0n n GLY 81 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.80 2.53 -2.70 4.61 0.00 -1.26 -0.42 120.51 122.47 1x0n n ALA 82 Ca 0.00 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.49 1x0n n ALA 82 Cb 0.00 -2.51 -0.11 0.00 0.00 0.00 0.00 19.45 16.83 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 1.36 3.05 -0.16 0.00 -0.71 -1.15 -2.16 117.98 118.21 1x0n s PHE 83 Ca 0.77 0.03 -0.05 0.00 -1.04 0.00 0.00 56.93 56.64 1x0n s PHE 83 Cb -0.53 -1.79 0.08 0.00 -1.21 0.00 0.00 43.02 39.56 1x0n s PHE 83 CO 0.34 0.31 0.31 -1.17 -1.34 0.00 0.00 175.22 173.67 1x0n s LEU 84 N -0.60 -0.40 -0.22 -1.99 0.20 -0.79 -4.39 118.68 110.48 1x0n s LEU 84 Ca 0.09 0.65 -0.14 0.00 0.69 0.00 0.00 54.13 55.43 1x0n s LEU 84 Cb -0.12 0.88 -0.04 0.00 -0.43 0.00 0.00 46.19 46.48 1x0n s LEU 84 CO 0.02 -0.24 0.30 -0.63 -0.29 0.00 0.00 176.35 175.50 1x0n s ILE 85 N 2.48 5.26 0.13 6.68 1.01 -0.87 -0.98 121.20 134.91 1x0n s ILE 85 Ca 0.01 0.48 0.08 0.00 0.00 0.00 0.00 60.65 61.22 1x0n s ILE 85 Cb -0.12 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1x0n s ILE 85 CO -0.10 0.28 -0.13 0.00 0.00 0.00 0.00 174.94 174.99 1x0n s ARG 86 N 1.28 1.96 0.05 2.79 1.70 -0.02 -0.41 118.95 126.28 1x0n s ARG 86 Ca 0.14 -1.15 -0.04 0.00 -0.47 0.00 0.00 55.73 54.20 1x0n s ARG 86 Cb -0.14 -2.19 -0.05 0.00 -0.57 0.00 0.00 34.95 32.00 1x0n s ARG 86 CO 0.07 0.48 0.27 -2.00 -1.08 0.00 0.00 175.30 173.04 1x0n s GLU 87 N -2.33 3.55 0.83 3.89 2.12 -1.00 -2.23 118.70 123.53 1x0n s GLU 87 Ca 0.21 -0.17 -0.11 0.00 0.36 0.00 0.00 54.97 55.25 1x0n s GLU 87 Cb -0.10 -3.02 0.09 0.00 0.26 0.00 0.00 34.13 31.36 1x0n s GLU 87 CO 0.12 0.60 1.09 -1.12 -0.54 0.00 0.00 175.26 175.42 1x0n s SER 88 N -2.04 4.00 -0.13 -1.70 0.01 -1.24 -4.06 113.70 108.55 1x0n s SER 88 Ca 0.32 1.68 -0.07 0.00 1.31 0.00 0.00 55.95 59.18 1x0n s SER 88 Cb -0.13 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 1x0n s SER 88 CO 0.21 -2.33 -0.10 -0.33 0.41 0.00 0.00 173.24 171.10 1x0n h GLU 89 N -1.34 0.00 -0.93 12.44 5.08 -1.97 -3.39 114.58 124.47 1x0n h GLU 89 Ca -0.46 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.46 1x0n h GLU 89 Cb 1.26 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.24 1x0n h GLU 89 CO 0.53 0.06 0.55 0.43 -1.00 0.00 0.00 179.01 179.58 1x0n n SER 90 N -4.66 4.06 -3.38 1.42 7.64 -1.26 -4.68 113.62 112.77 1x0n n SER 90 Ca -0.06 -3.51 -0.26 0.00 1.01 0.00 0.00 58.87 56.05 1x0n n SER 90 Cb 0.21 -0.82 -0.10 0.00 -1.01 0.00 0.00 64.21 62.50 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 -3.22 1.04 0.19 -0.43 0.00 -1.26 -5.12 121.76 112.95 1x0n s ALA 91 Ca 0.57 -2.14 -0.30 0.00 0.00 0.00 0.00 51.96 50.08 1x0n s ALA 91 Cb 0.47 -1.66 -0.09 0.00 0.00 0.00 0.00 23.12 21.84 1x0n s ALA 91 CO 0.12 -2.03 1.31 -1.25 0.00 0.00 0.00 175.76 173.91 1x0n s PRO 92 N 0.42 4.38 0.00 0.00 0.04 -1.26 -2.82 135.00 135.76 1x0n s PRO 92 Ca 0.28 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1x0n s PRO 92 Cb -0.04 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1x0n s PRO 92 CO -0.13 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1x0n n GLY 93 N 2.49 0.75 3.75 0.56 0.00 -1.26 -5.05 105.19 106.43 1x0n n GLY 93 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1x0n n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x0n s ASP 94 N -2.71 5.97 -0.02 1.61 1.01 -1.13 -4.95 116.67 116.45 1x0n s ASP 94 Ca 0.00 0.25 0.06 0.00 0.71 0.00 0.00 52.55 53.58 1x0n s ASP 94 Cb 0.00 -1.96 -0.02 0.00 1.01 0.00 0.00 42.92 41.95 1x0n s ASP 94 CO 0.00 0.28 -0.21 -0.36 0.21 0.00 0.00 175.17 175.09 1x0n s PHE 95 N -0.27 1.88 -0.04 4.23 0.08 -1.26 -3.60 117.98 118.99 1x0n s PHE 95 Ca 0.10 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.78 1x0n s PHE 95 Cb -0.12 -1.21 0.03 0.00 -0.57 0.00 0.00 43.02 41.15 1x0n s PHE 95 CO 0.01 -0.04 0.02 -1.54 -0.10 0.00 0.00 175.22 173.57 1x0n s SER 96 N -0.48 0.88 0.42 1.36 1.04 -0.94 -2.56 113.70 113.42 1x0n s SER 96 Ca 0.08 -0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.44 1x0n s SER 96 Cb -0.08 -0.24 -0.05 0.00 0.10 0.00 0.00 66.02 65.75 1x0n s SER 96 CO -0.01 -0.17 0.73 -0.22 0.98 0.00 0.00 173.24 174.56 1x0n s LEU 97 N 1.57 3.77 -0.25 2.42 2.96 -0.75 -0.84 118.68 127.55 1x0n s LEU 97 Ca -0.02 0.91 -0.02 0.00 -0.22 0.00 0.00 54.13 54.78 1x0n s LEU 97 Cb -0.13 -3.82 0.12 0.00 0.50 0.00 0.00 46.19 42.87 1x0n s LEU 97 CO -0.03 -0.45 0.30 -0.55 -1.32 0.00 0.00 176.35 174.30 1x0n s SER 98 N -3.73 1.13 0.08 3.68 0.15 -0.15 -1.69 113.70 113.17 1x0n s SER 98 Ca 0.47 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.84 1x0n s SER 98 Cb -0.10 0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 1x0n s SER 98 CO 0.39 -0.34 0.07 -0.69 1.20 0.00 0.00 173.24 173.87 1x0n s VAL 99 N 2.41 4.51 -0.12 4.45 1.01 0.37 -1.89 120.40 131.14 1x0n s VAL 99 Ca 0.09 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 1x0n s VAL 99 Cb -0.15 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1x0n s VAL 99 CO -0.22 0.13 0.33 -0.75 0.00 0.00 0.00 175.10 174.59 1x0n s LYS 100 N -2.37 4.12 -0.31 2.72 2.20 -0.92 -0.78 119.74 124.40 1x0n s LYS 100 Ca 0.29 0.19 -0.01 0.00 -0.36 0.00 0.00 55.97 56.09 1x0n s LYS 100 Cb -0.12 -3.36 0.10 0.00 -1.51 0.00 0.00 37.83 32.94 1x0n s LYS 100 CO 0.22 0.37 0.10 -0.06 -0.36 0.00 0.00 175.35 175.62 1x0n s PHE 101 N 0.03 1.69 0.00 4.03 0.08 0.15 -3.45 117.98 120.51 1x0n s PHE 101 Ca 0.19 -1.74 0.00 0.00 0.12 0.00 0.00 56.93 55.51 1x0n s PHE 101 Cb -0.14 -1.70 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 1x0n s PHE 101 CO 0.07 -0.88 0.00 0.41 -0.10 0.00 0.00 175.22 174.72 1x0n n GLY 102 N 4.83 3.88 1.76 4.36 0.00 -1.26 -0.50 105.19 118.25 1x0n n GLY 102 Ca -0.02 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.27 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 8.25 5.28 -3.92 1.61 3.02 -1.26 -4.90 115.26 123.34 1x0n n ASN 103 Ca 0.00 -2.81 -0.12 0.00 -0.03 0.00 0.00 54.58 51.63 1x0n n ASN 103 Cb 0.00 -0.66 -0.13 0.00 -0.61 0.00 0.00 39.78 38.38 1x0n n ASN 103 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1x0n s ASP 104 N -0.73 0.18 -0.29 6.41 1.11 0.34 -5.14 116.67 118.56 1x0n s ASP 104 Ca 0.50 -0.19 -0.06 0.00 0.18 0.00 0.00 52.55 52.99 1x0n s ASP 104 Cb 0.38 0.02 0.02 0.00 1.07 0.00 0.00 42.92 44.40 1x0n s ASP 104 CO 0.16 -0.09 0.06 -0.69 1.18 0.00 0.00 175.17 175.78 1x0n s VAL 105 N -0.52 3.74 0.44 -1.27 1.01 -1.26 0.34 120.40 122.88 1x0n s VAL 105 Ca -0.05 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.21 1x0n s VAL 105 Cb -0.04 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.41 1x0n s VAL 105 CO -0.00 0.07 0.56 -1.10 0.00 0.00 0.00 175.10 174.63 1x0n s GLN 106 N 1.45 2.73 0.20 2.72 -1.52 0.04 -4.96 119.66 120.32 1x0n s GLN 106 Ca 0.02 -1.34 -0.06 0.00 -1.95 0.00 0.00 55.36 52.03 1x0n s GLN 106 Cb -0.17 -2.68 -0.02 0.00 -0.22 0.00 0.00 33.01 29.91 1x0n s GLN 106 CO 0.01 -0.32 0.24 -3.38 -0.25 0.00 0.00 175.29 171.60 1x0n s HIS 107 N -2.41 0.78 -0.06 0.91 -3.43 -1.26 -0.48 115.29 109.34 1x0n s HIS 107 Ca 0.54 -1.08 -0.02 0.00 -0.80 0.00 0.00 55.06 53.71 1x0n s HIS 107 Cb -0.08 -0.26 0.03 0.00 -1.43 0.00 0.00 32.58 30.84 1x0n s HIS 107 CO 0.33 -0.74 0.04 -0.06 -2.00 0.00 0.00 174.74 172.31 1x0n s PHE 108 N -4.08 0.29 0.06 0.38 0.40 -0.68 -4.93 117.98 109.42 1x0n s PHE 108 Ca 0.29 0.06 -0.31 0.00 -0.60 0.00 0.00 56.93 56.37 1x0n s PHE 108 Cb 0.04 -0.61 -0.07 0.00 0.51 0.00 0.00 43.02 42.89 1x0n s PHE 108 CO 0.08 -0.27 1.44 0.15 0.70 0.00 0.00 175.22 177.33 1x0n s LYS 109 N 2.10 4.28 -0.09 0.44 1.02 -1.26 -1.82 119.74 124.41 1x0n s LYS 109 Ca 0.05 2.08 -0.04 0.00 0.02 0.00 0.00 55.97 58.08 1x0n s LYS 109 Cb -0.12 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 1x0n s LYS 109 CO -0.04 -0.55 0.06 0.08 -0.92 0.00 0.00 175.35 173.98 1x0n s VAL 110 N 1.92 4.79 0.34 3.17 1.01 -1.06 -4.88 120.40 125.70 1x0n s VAL 110 Ca 0.66 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.64 1x0n s VAL 110 Cb -0.35 -3.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.91 1x0n s VAL 110 CO 0.29 0.60 -0.07 -0.76 0.00 0.00 0.00 175.10 175.16 1x0n s LEU 111 N -0.98 2.70 -0.05 3.92 1.02 -0.95 -4.43 118.68 119.90 1x0n s LEU 111 Ca 0.14 -1.23 -0.03 0.00 0.02 0.00 0.00 54.13 53.03 1x0n s LEU 111 Cb -0.12 -0.90 0.02 0.00 0.02 0.00 0.00 46.19 45.21 1x0n s LEU 111 CO 0.04 -0.28 0.11 0.00 0.02 0.00 0.00 176.35 176.24 1x0n s ARG 112 N -3.65 0.09 0.21 1.70 3.03 -1.26 -1.23 118.95 117.84 1x0n s ARG 112 Ca 0.33 0.24 0.03 0.00 2.03 0.00 0.00 55.73 58.35 1x0n s ARG 112 Cb 0.04 -0.07 -0.05 0.00 -1.03 0.00 0.00 34.95 33.84 1x0n s ARG 112 CO 0.16 -0.09 0.01 0.16 -1.13 0.00 0.00 175.30 174.41 1x0n s ASP 113 N 0.62 1.53 0.00 -2.89 -4.77 0.53 -4.84 116.67 106.84 1x0n s ASP 113 Ca -0.05 -1.22 0.00 0.00 -3.30 0.00 0.00 52.55 47.99 1x0n s ASP 113 Cb -0.06 0.07 0.00 0.00 -1.09 0.00 0.00 42.92 41.83 1x0n s ASP 113 CO -0.03 -0.56 0.00 0.61 0.70 0.00 0.00 175.17 175.90 1x0n n GLY 114 N -0.35 1.24 0.00 2.12 0.00 -1.26 -2.66 105.19 104.27 1x0n n GLY 114 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 4.61 0.00 -1.26 -4.97 120.51 118.89 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 0.04 3.63 0.00 0.00 -1.17 -5.11 105.19 102.59 1x0n n GLY 116 Ca 0.00 -0.02 -0.56 0.00 0.00 0.00 0.00 46.02 45.43 1x0n n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x0n n LYS 117 N -0.49 1.07 -2.99 1.61 5.02 -1.09 -4.65 118.16 116.64 1x0n n LYS 117 Ca 0.00 0.37 -0.26 0.00 -2.02 0.00 0.00 58.31 56.40 1x0n n LYS 117 Cb 0.00 -2.13 -0.01 0.00 -0.02 0.00 0.00 35.03 32.87 1x0n n LYS 117 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1x0n s TYR 118 N 4.44 3.53 0.03 2.13 2.02 0.43 -0.35 117.35 129.58 1x0n s TYR 118 Ca 1.02 0.64 -0.29 0.00 -0.37 0.00 0.00 57.07 58.07 1x0n s TYR 118 Cb -1.06 -2.14 0.10 0.00 -0.40 0.00 0.00 41.96 38.46 1x0n s TYR 118 CO 0.63 -0.08 1.10 -0.59 -1.57 0.00 0.00 175.55 175.04 1x0n s PHE 119 N -2.50 -0.13 0.00 2.71 -0.71 -0.36 -0.73 117.98 116.26 1x0n s PHE 119 Ca 0.44 -0.06 0.00 0.00 -1.04 0.00 0.00 56.93 56.28 1x0n s PHE 119 Cb -0.10 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.29 1x0n s PHE 119 CO 0.39 -0.52 0.00 1.28 -1.34 0.00 0.00 175.22 175.03 1x0n n LEU 120 N -0.41 0.00 -0.25 -1.99 4.32 -1.14 -2.24 117.00 115.29 1x0n n LEU 120 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 1x0n n LEU 120 Cb 0.61 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 1x0n n LEU 120 CO 0.12 0.00 0.18 -2.67 -1.22 0.00 0.00 177.39 173.80 1x0n n TRP 121 N 0.00 0.00 0.00 -1.77 4.27 -1.26 -4.91 117.44 113.77 1x0n n TRP 121 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1x0n n TRP 121 Cb 0.00 0.10 0.00 0.00 -1.36 0.00 0.00 31.31 30.05 1x0n n TRP 121 CO 0.00 0.00 0.00 1.33 -2.29 0.00 0.00 177.69 176.73 1x0n n VAL 122 N 0.00 0.00 -3.76 -1.67 0.24 -1.26 -5.14 118.33 106.74 1x0n n VAL 122 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 1x0n n VAL 122 Cb 0.54 -0.34 -0.01 0.00 -1.47 0.00 0.00 33.84 32.57 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 -1.37 0.00 0.06 3.34 0.11 -1.26 -5.19 120.40 116.10 1x0n s VAL 123 Ca 0.00 -0.59 -0.04 0.00 -2.93 0.00 0.00 61.98 58.43 1x0n s VAL 123 Cb 0.00 -2.17 -0.03 0.00 -1.53 0.00 0.00 36.38 32.65 1x0n s VAL 123 CO 0.00 0.00 0.05 -1.59 -3.33 0.00 0.00 175.10 170.23 1x0n s LYS 124 N -2.95 0.69 0.35 1.54 -2.85 -1.26 -2.89 119.74 112.37 1x0n s LYS 124 Ca 0.14 -1.13 -0.10 0.00 -1.00 0.00 0.00 55.97 53.88 1x0n s LYS 124 Cb -0.01 0.26 0.02 0.00 -2.06 0.00 0.00 37.83 36.04 1x0n s LYS 124 CO 0.02 -0.17 0.62 -0.06 0.10 0.00 0.00 175.35 175.87 1x0n s PHE 125 N -3.90 0.50 -0.08 1.78 0.08 0.09 -4.99 117.98 111.45 1x0n s PHE 125 Ca 0.06 -0.95 -0.24 0.00 0.12 0.00 0.00 56.93 55.93 1x0n s PHE 125 Cb 0.07 0.39 -0.29 0.00 -0.57 0.00 0.00 43.02 42.62 1x0n s PHE 125 CO -0.10 -1.31 0.81 -0.91 -0.10 0.00 0.00 175.22 173.61 1x0n h ASN 126 N 2.07 0.31 -1.02 1.36 2.35 -1.90 0.12 115.58 118.87 1x0n h ASN 126 Ca -0.29 -0.95 -0.64 0.00 -0.55 0.00 0.00 56.30 53.88 1x0n h ASN 126 Cb 1.25 -0.10 -0.12 0.00 0.05 0.00 0.00 38.32 39.40 1x0n h ASN 126 CO 0.38 1.30 -0.52 -0.44 -1.65 0.00 0.00 177.43 176.49 1x0n s SER 127 N -6.75 4.14 0.05 5.81 0.01 -1.26 -3.61 113.70 112.09 1x0n s SER 127 Ca -0.16 -1.43 -0.17 0.00 1.31 0.00 0.00 55.95 55.50 1x0n s SER 127 Cb 0.00 0.04 -0.20 0.00 0.21 0.00 0.00 66.02 66.07 1x0n s SER 127 CO 0.78 -0.69 1.21 -0.07 0.41 0.00 0.00 173.24 174.87 1x0n h LEU 128 N 1.45 0.69 -0.70 2.44 3.38 -1.92 -3.24 115.31 117.40 1x0n h LEU 128 Ca -0.43 -0.68 0.14 0.00 0.09 0.00 0.00 57.88 57.00 1x0n h LEU 128 Cb 1.28 -0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 1x0n h LEU 128 CO 0.74 1.26 -0.21 -1.13 0.09 0.00 0.00 178.44 179.19 1x0n h ASN 129 N 0.17 -0.78 0.12 -0.43 -1.24 -1.99 0.87 115.58 112.30 1x0n h ASN 129 Ca -0.06 0.22 -0.02 0.00 0.71 0.00 0.00 56.30 57.16 1x0n h ASN 129 Cb 1.30 0.48 -0.00 0.00 0.73 0.00 0.00 38.32 40.82 1x0n h ASN 129 CO 0.13 -0.25 -0.08 -0.33 -1.29 0.00 0.00 177.43 175.61 1x0n h GLU 130 N -0.03 0.00 -0.01 6.67 3.07 -1.99 -1.52 114.58 120.76 1x0n h GLU 130 Ca 0.33 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.17 1x0n h GLU 130 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1x0n h GLU 130 CO -0.74 0.08 -0.04 1.25 -1.40 0.00 0.00 179.01 178.17 1x0n h LEU 131 N 0.00 0.06 -1.50 1.33 5.85 0.66 -2.66 115.31 119.05 1x0n h LEU 131 Ca -0.00 -0.60 -0.04 0.00 0.84 0.00 0.00 57.88 58.08 1x0n h LEU 131 Cb 0.16 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1x0n h LEU 131 CO 0.01 0.64 -0.15 -0.37 -0.34 0.00 0.00 178.44 178.23 1x0n h VAL 132 N -0.53 1.16 -0.09 1.05 -1.51 -0.74 0.14 116.25 115.74 1x0n h VAL 132 Ca -0.00 -0.72 -0.02 0.00 -1.23 0.00 0.00 66.70 64.73 1x0n h VAL 132 Cb 0.63 1.27 -0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1x0n h VAL 132 CO 0.01 0.22 -0.01 -0.78 -1.23 0.00 0.00 177.57 175.78 1x0n h ASP 133 N 0.13 0.16 0.41 4.19 3.58 -1.29 0.13 116.42 123.73 1x0n h ASP 133 Ca 0.03 -0.33 -0.17 0.00 0.42 0.00 0.00 57.03 56.97 1x0n h ASP 133 Cb 0.35 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1x0n h ASP 133 CO 0.02 0.45 -0.73 0.22 -2.88 0.00 0.00 179.24 176.33 1x0n h TYR 134 N -0.14 0.36 -0.20 0.28 5.03 -1.25 -2.10 116.97 118.95 1x0n h TYR 134 Ca 0.02 -0.16 -0.17 0.00 2.58 0.00 0.00 58.73 61.00 1x0n h TYR 134 Cb 0.38 -0.05 -0.00 0.00 1.55 0.00 0.00 36.73 38.60 1x0n h TYR 134 CO 0.04 0.90 -0.56 0.45 -1.32 0.00 0.00 178.16 177.67 1x0n h HIS 135 N 0.18 0.78 0.00 -3.82 3.86 -0.68 0.23 115.15 115.69 1x0n h HIS 135 Ca -0.03 -0.28 -0.15 0.00 -1.16 0.00 0.00 60.37 58.76 1x0n h HIS 135 Cb 1.29 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.60 1x0n h HIS 135 CO 0.03 1.04 -0.71 0.07 0.86 0.00 0.00 177.93 179.22 1x0n h ARG 136 N 0.47 0.00 0.00 2.45 0.11 -0.72 -3.10 114.38 113.59 1x0n h ARG 136 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1x0n h ARG 136 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1x0n h ARG 136 CO 0.11 0.71 -0.64 0.77 0.10 0.00 0.00 179.97 181.02 1x0n h SER 137 N 0.00 0.00 -3.37 0.08 0.02 -1.29 -3.33 113.55 105.66 1x0n h SER 137 Ca -0.01 -0.13 -0.66 0.00 -0.84 0.00 0.00 61.79 60.15 1x0n h SER 137 Cb 1.31 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.67 1x0n h SER 137 CO 0.09 0.07 -0.82 0.28 -1.14 0.00 0.00 176.83 175.31 1x0n s THR 138 N -3.22 2.51 0.97 -2.27 -1.32 0.06 -5.07 115.64 107.31 1x0n s THR 138 Ca 0.05 -1.87 -0.14 0.00 -1.21 0.00 0.00 61.69 58.52 1x0n s THR 138 Cb 0.12 -2.18 -0.02 0.00 -1.51 0.00 0.00 72.50 68.90 1x0n s THR 138 CO 0.73 -0.05 0.00 -1.54 -2.21 0.00 0.00 174.62 171.55 1x0n n SER 139 N 0.42 -3.29 0.00 8.08 3.41 -1.26 -4.69 113.62 116.30 1x0n n SER 139 Ca -0.14 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1x0n n SER 139 Cb 0.55 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1x0n n SER 139 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1x0n n VAL 140 N -3.30 0.00 -2.99 -3.33 0.24 -1.25 -4.95 118.33 102.75 1x0n n VAL 140 Ca 0.04 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.94 1x0n n VAL 140 Cb 0.55 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.87 1x0n n VAL 140 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x0n s SER 141 N -2.08 7.13 -0.12 -1.34 0.15 -1.26 -4.94 113.70 111.23 1x0n s SER 141 Ca 0.00 1.36 0.05 0.00 0.70 0.00 0.00 55.95 58.06 1x0n s SER 141 Cb 0.00 -2.45 0.34 0.00 -1.71 0.00 0.00 66.02 62.20 1x0n s SER 141 CO 0.00 -0.07 1.12 0.54 1.20 0.00 0.00 173.24 176.03 1x0n n ARG 142 N 3.32 2.45 0.01 5.44 1.74 -1.26 -4.07 116.66 124.29 1x0n n ARG 142 Ca -0.01 -1.35 0.00 0.00 -0.77 0.00 0.00 57.85 55.72 1x0n n ARG 142 Cb 0.51 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1x0n n ARG 142 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1x0n n ASN 143 N 0.17 0.11 -3.04 0.55 4.13 -1.26 -5.13 115.26 110.79 1x0n n ASN 143 Ca 0.15 0.04 -0.15 0.00 1.68 0.00 0.00 54.58 56.30 1x0n n ASN 143 Cb 0.74 -0.01 -0.04 0.00 -1.54 0.00 0.00 39.78 38.93 1x0n n ASN 143 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x0n n GLN 144 N -2.95 1.08 -3.57 3.52 3.00 -1.26 -5.10 117.38 112.10 1x0n n GLN 144 Ca 0.00 -1.82 -0.40 0.00 -0.01 0.00 0.00 57.00 54.77 1x0n n GLN 144 Cb 0.28 0.72 -0.06 0.00 0.00 0.00 0.00 30.24 31.18 1x0n n GLN 144 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1x0n s GLN 145 N -2.86 3.12 0.11 -1.09 -0.21 -1.26 -4.45 119.66 113.02 1x0n s GLN 145 Ca 0.05 -2.76 0.08 0.00 0.02 0.00 0.00 55.36 52.75 1x0n s GLN 145 Cb 0.00 -4.02 -0.04 0.00 1.00 0.00 0.00 33.01 29.96 1x0n s GLN 145 CO 0.04 -1.23 -0.21 0.42 -2.12 0.00 0.00 175.29 172.19 1x0n s ILE 146 N -0.43 1.74 0.27 1.08 1.01 -1.26 -5.11 121.20 118.50 1x0n s ILE 146 Ca 0.21 -1.61 0.10 0.00 0.00 0.00 0.00 60.65 59.35 1x0n s ILE 146 Cb -0.14 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 1x0n s ILE 146 CO -0.07 -0.10 -0.07 -0.36 0.00 0.00 0.00 174.94 174.33 1x0n s PHE 147 N -1.32 2.56 -0.41 3.97 0.08 -1.26 -3.95 117.98 117.64 1x0n s PHE 147 Ca 0.08 -0.26 -0.28 0.00 0.12 0.00 0.00 56.93 56.59 1x0n s PHE 147 Cb -0.09 -1.12 -0.00 0.00 -0.57 0.00 0.00 43.02 41.23 1x0n s PHE 147 CO 0.05 0.65 1.56 -0.51 -0.10 0.00 0.00 175.22 176.87 1x0n s LEU 148 N -3.61 3.52 0.17 -0.37 1.43 -1.25 -4.60 118.68 113.96 1x0n s LEU 148 Ca 0.31 0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 54.00 1x0n s LEU 148 Cb -0.06 -3.42 -0.07 0.00 0.03 0.00 0.00 46.19 42.67 1x0n s LEU 148 CO 0.18 -1.61 1.05 -0.13 0.23 0.00 0.00 176.35 176.08 1x0n s ARG 149 N 5.35 4.65 -0.15 1.70 1.81 0.44 -4.82 118.95 127.93 1x0n s ARG 149 Ca 0.67 1.63 -0.29 0.00 -1.72 0.00 0.00 55.73 56.02 1x0n s ARG 149 Cb -0.16 -3.30 -0.06 0.00 -0.45 0.00 0.00 34.95 30.98 1x0n s ARG 149 CO 0.32 0.16 2.15 0.34 -0.68 0.00 0.00 175.30 177.58 1x0n s ASP 150 N -0.21 5.73 0.43 0.23 -1.08 -1.26 -2.92 116.67 117.59 1x0n s ASP 150 Ca 0.48 2.11 -0.23 0.00 -0.52 0.00 0.00 52.55 54.39 1x0n s ASP 150 Cb -0.28 -2.52 -0.09 0.00 -1.46 0.00 0.00 42.92 38.58 1x0n s ASP 150 CO 0.34 -1.71 1.04 -0.51 0.52 0.00 0.00 175.17 174.85 1x0n s ILE 151 N 7.22 3.78 -0.99 4.11 2.07 -1.26 -4.96 121.20 131.17 1x0n s ILE 151 Ca 0.97 1.26 -0.19 0.00 -1.41 0.00 0.00 60.65 61.29 1x0n s ILE 151 Cb -0.36 -3.60 0.12 0.00 0.13 0.00 0.00 42.46 38.76 1x0n s ILE 151 CO 0.37 -0.09 1.22 -1.61 -1.91 0.00 0.00 174.94 172.92 1x0n s GLU 152 N -2.78 3.67 0.52 3.50 2.02 -1.26 -4.89 118.70 119.48 1x0n s GLU 152 Ca 0.61 -1.79 -0.19 0.00 0.02 0.00 0.00 54.97 53.62 1x0n s GLU 152 Cb -0.19 -5.01 -0.11 0.00 0.10 0.00 0.00 34.13 28.92 1x0n s GLU 152 CO 0.24 -1.84 0.37 0.94 0.02 0.00 0.00 175.26 174.99 1x0n n GLN 153 N 6.79 0.39 -1.47 1.61 -0.06 -1.26 -4.68 117.38 118.70 1x0n n GLN 153 Ca 0.27 0.15 -0.57 0.00 -2.00 0.00 0.00 57.00 54.85 1x0n n GLN 153 Cb 0.48 -1.48 -0.08 0.00 -4.06 0.00 0.00 30.24 25.10 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 -1.46 0.00 -2.25 1.69 3.14 -1.26 -4.87 118.33 113.31 1x0n n VAL 154 Ca 0.11 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.14 1x0n n VAL 154 Cb 0.46 -0.18 0.00 0.00 -1.06 0.00 0.00 33.84 33.05 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 1.10 3.35 -0.46 1.45 0.04 -1.26 -5.03 135.00 134.20 1x0n s PRO 155 Ca 0.89 1.60 0.02 0.00 0.04 0.00 0.00 61.00 63.55 1x0n s PRO 155 Cb -1.25 -2.01 0.20 0.00 0.04 0.00 0.00 34.50 31.48 1x0n s PRO 155 CO 0.62 -0.85 0.85 -1.14 0.04 0.00 0.00 177.00 176.52 1x0n s GLN 156 N -3.30 0.77 -0.30 4.56 0.74 -1.26 -5.13 119.66 115.75 1x0n s GLN 156 Ca 0.73 -0.75 -0.14 0.00 0.05 0.00 0.00 55.36 55.24 1x0n s GLN 156 Cb -0.24 -0.03 0.18 0.00 1.10 0.00 0.00 33.01 34.02 1x0n s GLN 156 CO 0.27 -0.96 1.02 -1.14 -0.55 0.00 0.00 175.29 173.94 1x0n s GLN 157 N 0.94 0.23 0.58 1.67 2.00 -1.26 -5.17 119.66 118.66 1x0n s GLN 157 Ca 0.27 0.50 -0.18 0.00 -2.00 0.00 0.00 55.36 53.95 1x0n s GLN 157 Cb 0.04 0.29 -0.04 0.00 0.80 0.00 0.00 33.01 34.10 1x0n s GLN 157 CO -0.07 -0.17 1.12 -1.25 -0.50 0.00 0.00 175.29 174.42 1x0n s PRO 158 N 2.67 3.17 0.00 1.67 0.04 -1.26 -5.34 135.00 135.95 1x0n s PRO 158 Ca -0.00 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1x0n s PRO 158 Cb -0.08 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1x0n s PRO 158 CO -0.15 -0.98 0.45 2.41 0.04 0.00 0.00 177.00 178.78