#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 3.67 -0.07 -2.67 5.36 -1.26 -2.03 117.98 120.98 1x0n s PHE 61 Ca 0.00 0.89 0.03 0.00 -0.96 0.00 0.00 56.93 56.89 1x0n s PHE 61 Cb 0.00 -2.27 0.00 0.00 -0.34 0.00 0.00 43.02 40.41 1x0n s PHE 61 CO 0.00 0.57 -0.17 -0.06 -1.46 0.00 0.00 175.22 174.10 1x0n s PHE 62 N -0.77 1.88 0.00 10.12 0.40 0.43 -4.97 117.98 125.07 1x0n s PHE 62 Ca 0.22 -0.67 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 1x0n s PHE 62 Cb -0.16 -1.29 0.00 0.00 0.51 0.00 0.00 43.02 42.08 1x0n s PHE 62 CO 0.11 -0.28 0.00 0.41 0.70 0.00 0.00 175.22 176.16 1x0n n GLY 63 N 3.50 -1.11 2.74 4.36 0.00 -1.26 -2.30 105.19 111.11 1x0n n GLY 63 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 0.73 -0.03 1.61 -0.14 -1.26 -1.56 119.74 119.10 1x0n s LYS 64 Ca 0.00 -1.00 0.04 0.00 -1.36 0.00 0.00 55.97 53.65 1x0n s LYS 64 Cb 0.00 -2.01 -0.00 0.00 -1.68 0.00 0.00 37.83 34.14 1x0n s LYS 64 CO 0.00 -0.94 -0.13 0.96 -0.76 0.00 0.00 175.35 174.48 1x0n s ILE 65 N 1.64 1.11 0.43 2.17 -4.36 -1.26 -5.02 121.20 115.91 1x0n s ILE 65 Ca 0.08 -0.56 -0.24 0.00 -0.26 0.00 0.00 60.65 59.67 1x0n s ILE 65 Cb -0.17 -0.95 -0.08 0.00 1.25 0.00 0.00 42.46 42.51 1x0n s ILE 65 CO -0.23 0.32 1.18 -2.16 0.24 0.00 0.00 174.94 174.29 1x0n s PRO 66 N -0.05 3.89 0.26 0.37 0.04 -1.26 -4.83 135.00 133.42 1x0n s PRO 66 Ca -0.00 1.83 0.03 0.00 0.04 0.00 0.00 61.00 62.90 1x0n s PRO 66 Cb -0.08 -2.54 0.67 0.00 0.04 0.00 0.00 34.50 32.58 1x0n s PRO 66 CO 0.01 -0.45 1.27 2.89 0.04 0.00 0.00 177.00 180.75 1x0n n ARG 67 N -0.21 -0.06 0.06 4.56 1.85 -1.26 0.75 116.66 122.35 1x0n n ARG 67 Ca 0.06 1.21 -0.12 0.00 -1.00 0.00 0.00 57.85 58.00 1x0n n ARG 67 Cb 0.47 -1.94 -0.05 0.00 -1.05 0.00 0.00 32.46 29.89 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 1.62 -0.39 -1.01 2.89 0.00 -2.00 -1.27 119.26 119.10 1x0n h ALA 68 Ca 0.51 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.65 1x0n h ALA 68 Cb 1.10 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 19.28 1x0n h ALA 68 CO -0.75 -0.79 0.63 -0.22 0.00 0.00 0.00 179.25 178.12 1x0n h LYS 69 N -0.43 0.52 -0.74 0.00 1.63 -0.01 0.24 116.57 117.78 1x0n h LYS 69 Ca 0.06 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 1x0n h LYS 69 Cb 0.51 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.99 1x0n h LYS 69 CO -0.24 0.35 0.27 0.00 -3.45 0.00 0.00 179.45 176.37 1x0n h ALA 70 N 1.65 1.09 0.00 5.00 0.00 -0.87 -0.81 119.26 125.32 1x0n h ALA 70 Ca 0.59 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1x0n h ALA 70 Cb 1.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1x0n h ALA 70 CO -0.35 0.64 -0.21 0.93 0.00 0.00 0.00 179.25 180.26 1x0n h GLU 71 N 1.08 0.00 0.22 0.00 5.08 -0.05 -2.23 114.58 118.68 1x0n h GLU 71 Ca 0.24 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.28 1x0n h GLU 71 Cb 0.24 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.52 1x0n h GLU 71 CO -0.02 0.21 -1.51 0.93 -1.00 0.00 0.00 179.01 177.62 1x0n h GLU 72 N 0.00 0.47 -0.43 2.33 4.39 -0.70 0.00 114.58 120.64 1x0n h GLU 72 Ca -0.00 -0.80 -0.07 0.00 0.34 0.00 0.00 59.36 58.83 1x0n h GLU 72 Cb 0.59 0.30 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1x0n h GLU 72 CO 0.03 1.38 -0.03 0.52 -1.16 0.00 0.00 179.01 179.75 1x0n h MET 73 N 0.07 0.71 0.05 2.33 2.86 -1.03 -1.95 114.93 117.97 1x0n h MET 73 Ca -0.28 -0.19 -0.19 0.00 -2.06 0.00 0.00 59.70 56.98 1x0n h MET 73 Cb 2.09 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 33.66 1x0n h MET 73 CO 0.23 0.74 -1.01 -0.07 1.06 0.00 0.00 176.91 177.87 1x0n h LEU 74 N 0.66 0.17 -0.74 1.22 3.38 -1.51 -3.34 115.31 115.15 1x0n h LEU 74 Ca 0.13 -0.78 0.14 0.00 0.09 0.00 0.00 57.88 57.46 1x0n h LEU 74 Cb 0.45 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 1x0n h LEU 74 CO 0.02 1.42 0.27 -1.28 0.09 0.00 0.00 178.44 178.97 1x0n h SER 75 N -0.70 0.23 -0.07 -0.43 0.87 -1.01 0.36 113.55 112.80 1x0n h SER 75 Ca -0.24 0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1x0n h SER 75 Cb 1.42 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1x0n h SER 75 CO -0.04 0.08 0.07 0.07 -0.53 0.00 0.00 176.83 176.48 1x0n h LYS 76 N 0.41 0.00 -7.22 2.24 2.10 -1.51 -3.43 116.57 109.17 1x0n h LYS 76 Ca 0.40 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.57 1x0n h LYS 76 Cb 0.62 0.00 0.20 0.00 -0.90 0.00 0.00 32.23 32.15 1x0n h LYS 76 CO -0.41 0.00 0.13 -0.65 -2.00 0.00 0.00 179.45 176.52 1x0n s GLN 77 N -4.74 0.16 -0.15 0.07 -1.52 0.13 -4.98 119.66 108.63 1x0n s GLN 77 Ca -0.05 1.19 0.13 0.00 -1.95 0.00 0.00 55.36 54.67 1x0n s GLN 77 Cb 0.16 -1.65 -0.18 0.00 -0.22 0.00 0.00 33.01 31.11 1x0n s GLN 77 CO 0.58 -3.10 0.04 0.54 -0.25 0.00 0.00 175.29 173.11 1x0n n ARG 78 N -4.52 1.55 -1.50 2.91 5.12 -1.26 -5.01 116.66 113.95 1x0n n ARG 78 Ca 0.07 -0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.69 1x0n n ARG 78 Cb 0.53 -1.38 0.21 0.00 -1.16 0.00 0.00 32.46 30.66 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 -2.36 1.15 -0.26 -1.55 3.76 -1.26 -5.05 115.29 109.71 1x0n s HIS 79 Ca -0.08 0.44 0.02 0.00 -0.15 0.00 0.00 55.06 55.30 1x0n s HIS 79 Cb 0.04 -3.75 0.07 0.00 1.11 0.00 0.00 32.58 30.06 1x0n s HIS 79 CO 0.60 -3.21 -0.05 -0.51 -0.85 0.00 0.00 174.74 170.72 1x0n s ASP 80 N -4.35 4.23 0.00 1.40 1.11 -1.26 -4.68 116.67 113.12 1x0n s ASP 80 Ca 0.72 -1.44 0.00 0.00 0.18 0.00 0.00 52.55 52.01 1x0n s ASP 80 Cb -0.07 -1.38 0.00 0.00 1.07 0.00 0.00 42.92 42.54 1x0n s ASP 80 CO 0.54 -0.25 0.00 0.61 1.18 0.00 0.00 175.17 177.26 1x0n n GLY 81 N 4.52 1.11 3.68 0.21 0.00 -0.82 -4.74 105.19 109.16 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 0.00 1.98 -2.74 4.61 0.00 -1.25 -0.42 120.51 122.68 1x0n n ALA 82 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 53.44 53.44 1x0n n ALA 82 Cb 0.00 -2.60 -0.07 0.00 0.00 0.00 0.00 19.45 16.78 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 3.11 3.10 -0.30 0.00 -0.71 -1.16 -1.08 117.98 120.94 1x0n s PHE 83 Ca 0.84 0.02 -0.04 0.00 -1.04 0.00 0.00 56.93 56.71 1x0n s PHE 83 Cb -0.49 -1.57 0.17 0.00 -1.21 0.00 0.00 43.02 39.92 1x0n s PHE 83 CO 0.39 0.51 0.62 -1.17 -1.34 0.00 0.00 175.22 174.22 1x0n s LEU 84 N -2.46 -1.29 -0.09 -1.99 0.20 -0.11 -4.37 118.68 108.57 1x0n s LEU 84 Ca 0.28 1.14 -0.22 0.00 0.69 0.00 0.00 54.13 56.02 1x0n s LEU 84 Cb -0.12 2.21 -0.04 0.00 -0.43 0.00 0.00 46.19 47.82 1x0n s LEU 84 CO 0.21 -0.25 0.64 -0.63 -0.29 0.00 0.00 176.35 176.03 1x0n s ILE 85 N 2.87 5.08 0.04 6.68 1.01 -0.86 -0.41 121.20 135.62 1x0n s ILE 85 Ca 0.11 1.30 0.08 0.00 0.00 0.00 0.00 60.65 62.14 1x0n s ILE 85 Cb -0.14 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 1x0n s ILE 85 CO -0.20 0.26 -0.23 0.00 0.00 0.00 0.00 174.94 174.77 1x0n s ARG 86 N 0.83 1.52 -0.03 2.79 1.70 0.45 -0.43 118.95 125.79 1x0n s ARG 86 Ca 0.34 -0.99 -0.13 0.00 -0.47 0.00 0.00 55.73 54.47 1x0n s ARG 86 Cb -0.17 -1.66 -0.05 0.00 -0.57 0.00 0.00 34.95 32.50 1x0n s ARG 86 CO 0.15 0.43 0.36 -2.00 -1.08 0.00 0.00 175.30 173.16 1x0n s GLU 87 N -1.19 3.86 0.85 3.89 2.12 -0.60 -1.77 118.70 125.86 1x0n s GLU 87 Ca 0.09 0.30 -0.12 0.00 0.36 0.00 0.00 54.97 55.60 1x0n s GLU 87 Cb -0.09 -3.23 0.11 0.00 0.26 0.00 0.00 34.13 31.17 1x0n s GLU 87 CO 0.02 0.67 1.18 0.43 -0.54 0.00 0.00 175.26 177.02 1x0n n SER 88 N 1.97 0.78 -0.10 -1.70 7.64 -1.12 -4.21 113.62 116.89 1x0n n SER 88 Ca -0.15 0.53 -0.23 0.00 1.01 0.00 0.00 58.87 60.04 1x0n n SER 88 Cb 0.53 -1.50 -0.12 0.00 -1.01 0.00 0.00 64.21 62.11 1x0n n SER 88 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x0n n GLU 89 N -3.60 0.58 0.01 1.43 -0.58 -1.26 -4.32 120.64 112.89 1x0n n GLU 89 Ca 0.13 0.53 0.12 0.00 -0.42 0.00 0.00 57.16 57.52 1x0n n GLU 89 Cb 0.51 -1.72 0.25 0.00 -0.57 0.00 0.00 31.44 29.91 1x0n n GLU 89 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1x0n n SER 90 N -4.36 0.50 -3.86 1.62 7.64 -1.26 -4.58 113.62 109.31 1x0n n SER 90 Ca -0.34 -0.16 -0.30 0.00 1.01 0.00 0.00 58.87 59.08 1x0n n SER 90 Cb 0.72 0.22 -0.14 0.00 -1.01 0.00 0.00 64.21 64.00 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 -3.03 2.91 0.00 -0.43 0.00 -1.26 -5.09 121.76 114.86 1x0n s ALA 91 Ca 0.10 -3.05 -0.30 0.00 0.00 0.00 0.00 51.96 48.72 1x0n s ALA 91 Cb 0.17 -2.06 -0.06 0.00 0.00 0.00 0.00 23.12 21.17 1x0n s ALA 91 CO 0.70 -2.04 1.45 -1.25 0.00 0.00 0.00 175.76 174.62 1x0n s PRO 92 N -0.09 4.26 0.00 0.00 0.04 -1.26 -2.99 135.00 134.96 1x0n s PRO 92 Ca 0.17 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1x0n s PRO 92 Cb -0.25 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1x0n s PRO 92 CO -0.00 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.83 1x0n n GLY 93 N 3.72 1.68 3.71 0.56 0.00 -1.26 -5.06 105.19 108.54 1x0n n GLY 93 Ca 0.14 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.13 6.74 -0.04 1.61 1.11 -1.16 -4.99 116.67 119.81 1x0n s ASP 94 Ca 0.00 2.38 -0.00 0.00 0.18 0.00 0.00 52.55 55.10 1x0n s ASP 94 Cb 0.00 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1x0n s ASP 94 CO 0.00 -0.74 0.01 -0.36 1.18 0.00 0.00 175.17 175.27 1x0n s PHE 95 N 1.56 3.14 -0.11 4.23 0.08 -1.26 -2.78 117.98 122.84 1x0n s PHE 95 Ca 0.67 0.15 -0.03 0.00 0.12 0.00 0.00 56.93 57.84 1x0n s PHE 95 Cb -0.38 -1.73 0.04 0.00 -0.57 0.00 0.00 43.02 40.38 1x0n s PHE 95 CO 0.30 0.48 0.06 0.45 -0.10 0.00 0.00 175.22 176.41 1x0n s SER 96 N -1.29 1.84 -0.11 1.36 0.15 -0.73 -2.05 113.70 112.87 1x0n s SER 96 Ca 0.17 -0.30 -0.22 0.00 0.70 0.00 0.00 55.95 56.31 1x0n s SER 96 Cb -0.11 -0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 63.89 1x0n s SER 96 CO 0.07 -0.29 0.64 -0.22 1.20 0.00 0.00 173.24 174.65 1x0n s LEU 97 N 2.10 4.26 -0.30 3.45 1.98 -1.00 -0.41 118.68 128.75 1x0n s LEU 97 Ca 0.03 1.02 -0.02 0.00 -2.89 0.00 0.00 54.13 52.27 1x0n s LEU 97 Cb -0.14 -2.96 0.05 0.00 0.66 0.00 0.00 46.19 43.79 1x0n s LEU 97 CO -0.06 -0.14 0.01 -0.55 -1.89 0.00 0.00 176.35 173.72 1x0n s SER 98 N 0.88 4.93 -0.17 3.68 0.15 0.45 -0.94 113.70 122.68 1x0n s SER 98 Ca 0.33 -1.24 -0.03 0.00 0.70 0.00 0.00 55.95 55.71 1x0n s SER 98 Cb -0.17 -1.73 -0.02 0.00 -1.71 0.00 0.00 66.02 62.39 1x0n s SER 98 CO 0.14 -0.26 -0.05 -0.69 1.20 0.00 0.00 173.24 173.57 1x0n s VAL 99 N 1.28 3.64 -0.32 4.45 1.01 0.43 -0.94 120.40 129.95 1x0n s VAL 99 Ca -0.05 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 1x0n s VAL 99 Cb -0.20 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.59 1x0n s VAL 99 CO -0.01 0.48 0.86 -0.75 0.00 0.00 0.00 175.10 175.68 1x0n s LYS 100 N 0.62 3.95 -0.46 2.72 2.20 -0.24 -0.36 119.74 128.16 1x0n s LYS 100 Ca -0.03 0.65 -0.01 0.00 -0.36 0.00 0.00 55.97 56.21 1x0n s LYS 100 Cb -0.15 -3.75 0.12 0.00 -1.51 0.00 0.00 37.83 32.55 1x0n s LYS 100 CO 0.03 -0.77 0.25 -0.06 -0.36 0.00 0.00 175.35 174.44 1x0n s PHE 101 N 3.15 3.53 0.00 4.03 0.08 -0.68 -1.94 117.98 126.16 1x0n s PHE 101 Ca 0.35 -2.65 0.00 0.00 0.12 0.00 0.00 56.93 54.75 1x0n s PHE 101 Cb -0.13 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.18 1x0n s PHE 101 CO 0.14 -0.91 0.00 0.41 -0.10 0.00 0.00 175.22 174.76 1x0n n GLY 102 N 4.12 4.28 1.77 4.36 0.00 -1.26 -1.13 105.19 117.33 1x0n n GLY 102 Ca 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 8.51 4.63 -3.31 1.61 3.02 -1.26 -4.77 115.26 123.68 1x0n n ASN 103 Ca 0.00 -2.93 -0.05 0.00 -0.03 0.00 0.00 54.58 51.57 1x0n n ASN 103 Cb 0.00 -0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 38.42 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 -0.72 -0.34 -0.25 6.41 1.11 -0.28 -5.13 116.67 117.47 1x0n s ASP 104 Ca 0.46 0.51 -0.19 0.00 0.18 0.00 0.00 52.55 53.51 1x0n s ASP 104 Cb 0.36 1.49 -0.02 0.00 1.07 0.00 0.00 42.92 45.82 1x0n s ASP 104 CO 0.12 -0.28 0.56 0.54 1.18 0.00 0.00 175.17 177.30 1x0n s VAL 105 N 2.66 5.04 0.49 -1.27 0.11 -1.26 -1.69 120.40 124.48 1x0n s VAL 105 Ca 0.14 1.00 0.08 0.00 -2.93 0.00 0.00 61.98 60.28 1x0n s VAL 105 Cb -0.15 -3.88 0.04 0.00 -1.53 0.00 0.00 36.38 30.86 1x0n s VAL 105 CO -0.17 0.08 0.61 -1.10 -3.33 0.00 0.00 175.10 171.19 1x0n s GLN 106 N 2.26 2.55 0.13 1.54 -1.52 0.51 -4.90 119.66 120.24 1x0n s GLN 106 Ca 0.24 -1.49 -0.05 0.00 -1.95 0.00 0.00 55.36 52.11 1x0n s GLN 106 Cb -0.16 -2.61 -0.02 0.00 -0.22 0.00 0.00 33.01 30.00 1x0n s GLN 106 CO 0.09 -0.50 0.15 -1.01 -0.25 0.00 0.00 175.29 173.77 1x0n s HIS 107 N -2.52 0.57 -0.04 0.91 3.76 -1.26 -0.43 115.29 116.28 1x0n s HIS 107 Ca 0.55 -0.97 0.01 0.00 -0.15 0.00 0.00 55.06 54.50 1x0n s HIS 107 Cb -0.07 -0.26 0.02 0.00 1.11 0.00 0.00 32.58 33.38 1x0n s HIS 107 CO 0.33 -0.58 -0.03 -0.06 -0.85 0.00 0.00 174.74 173.55 1x0n s PHE 108 N -3.98 0.66 -0.27 1.40 0.40 -0.12 -4.99 117.98 111.08 1x0n s PHE 108 Ca 0.18 -0.16 -0.29 0.00 -0.60 0.00 0.00 56.93 56.05 1x0n s PHE 108 Cb 0.06 -0.63 0.00 0.00 0.51 0.00 0.00 43.02 42.96 1x0n s PHE 108 CO -0.01 -0.20 1.20 0.15 0.70 0.00 0.00 175.22 177.06 1x0n s LYS 109 N 1.06 4.06 -0.26 0.44 1.02 -1.26 -2.37 119.74 122.43 1x0n s LYS 109 Ca -0.09 1.29 -0.24 0.00 0.02 0.00 0.00 55.97 56.96 1x0n s LYS 109 Cb -0.14 -3.79 -0.01 0.00 -0.52 0.00 0.00 37.83 33.37 1x0n s LYS 109 CO -0.01 -0.92 0.79 0.08 -0.92 0.00 0.00 175.35 174.36 1x0n s VAL 110 N 3.87 4.85 0.13 3.17 1.01 -0.87 -4.92 120.40 127.63 1x0n s VAL 110 Ca 0.52 1.39 -0.16 0.00 0.00 0.00 0.00 61.98 63.73 1x0n s VAL 110 Cb -0.16 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 1x0n s VAL 110 CO 0.17 -0.11 0.56 -0.76 0.00 0.00 0.00 175.10 174.96 1x0n s LEU 111 N 2.82 4.39 0.29 3.92 2.01 -0.73 -4.28 118.68 127.10 1x0n s LEU 111 Ca 0.33 1.13 0.03 0.00 0.01 0.00 0.00 54.13 55.63 1x0n s LEU 111 Cb -0.15 -3.17 -0.04 0.00 0.01 0.00 0.00 46.19 42.84 1x0n s LEU 111 CO 0.09 0.15 0.17 -0.13 1.01 0.00 0.00 176.35 177.64 1x0n s ARG 112 N -1.73 1.56 0.00 1.70 3.00 -1.26 -0.75 118.95 121.48 1x0n s ARG 112 Ca 0.35 -1.88 0.00 0.00 0.00 0.00 0.00 55.73 54.20 1x0n s ARG 112 Cb -0.16 0.01 0.00 0.00 0.00 0.00 0.00 34.95 34.79 1x0n s ARG 112 CO 0.19 -0.47 0.00 -3.47 0.00 0.00 0.00 175.30 171.55 1x0n n ASP 113 N -0.91 1.29 -1.87 0.23 -0.08 -0.99 -5.00 116.55 109.21 1x0n n ASP 113 Ca 0.02 -0.76 -0.17 0.00 -1.51 0.00 0.00 54.79 52.37 1x0n n ASP 113 Cb 0.65 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.22 1x0n n ASP 113 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x0n n GLY 114 N 3.22 3.86 0.01 0.27 0.00 -1.26 -3.81 105.19 107.47 1x0n n GLY 114 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.57 1.16 -2.54 4.61 0.00 -1.26 -5.01 120.51 116.90 1x0n n ALA 115 Ca 0.41 -0.58 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 1x0n n ALA 115 Cb 1.22 -0.01 0.01 0.00 0.00 0.00 0.00 19.45 20.68 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 -0.08 0.38 3.50 0.00 0.00 -1.25 -5.05 105.19 102.69 1x0n n GLY 116 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 1x0n n GLY 116 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x0n s LYS 117 N -4.95 2.16 0.19 1.61 2.20 -1.26 -4.78 119.74 114.90 1x0n s LYS 117 Ca 0.10 -0.95 0.09 0.00 -0.36 0.00 0.00 55.97 54.86 1x0n s LYS 117 Cb -0.04 -2.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.98 1x0n s LYS 117 CO 0.13 0.55 -0.09 0.71 -0.36 0.00 0.00 175.35 176.28 1x0n s TYR 118 N -0.98 2.63 -0.05 4.03 2.02 -0.95 -2.34 117.35 121.71 1x0n s TYR 118 Ca 0.16 -0.23 -0.31 0.00 -0.37 0.00 0.00 57.07 56.33 1x0n s TYR 118 Cb -0.11 -1.27 0.11 0.00 -0.40 0.00 0.00 41.96 40.30 1x0n s TYR 118 CO 0.07 0.53 1.08 -0.59 -1.57 0.00 0.00 175.55 175.07 1x0n s PHE 119 N -1.80 -0.18 0.00 2.71 -0.12 0.07 -0.40 117.98 118.26 1x0n s PHE 119 Ca 0.26 0.06 0.00 0.00 -0.05 0.00 0.00 56.93 57.19 1x0n s PHE 119 Cb -0.08 0.55 0.00 0.00 -0.63 0.00 0.00 43.02 42.85 1x0n s PHE 119 CO 0.16 -0.42 0.00 1.28 -0.05 0.00 0.00 175.22 176.18 1x0n n LEU 120 N -0.27 0.00 0.00 -1.99 4.32 -1.18 -1.78 117.00 116.10 1x0n n LEU 120 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 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 0.11 0.00 0.00 0.79 -1.22 0.00 0.00 177.39 177.07 1x0n n TRP 121 N -0.14 0.00 -0.66 -1.77 7.02 -1.26 -4.77 117.44 115.86 1x0n n TRP 121 Ca 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.42 1x0n n TRP 121 Cb 0.00 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.80 1x0n n TRP 121 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1x0n n VAL 122 N 0.00 2.14 -3.52 -0.99 0.24 -1.26 -4.74 118.33 110.21 1x0n n VAL 122 Ca 0.00 -0.92 -0.14 0.00 -2.04 0.00 0.00 64.34 61.24 1x0n n VAL 122 Cb 0.00 -1.72 -0.05 0.00 -1.47 0.00 0.00 33.84 30.60 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 1.00 0.00 0.41 3.34 0.11 -1.26 -5.19 120.40 118.82 1x0n s VAL 123 Ca 0.34 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.43 1x0n s VAL 123 Cb 0.16 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 1x0n s VAL 123 CO 0.00 0.00 0.07 -0.54 -3.33 0.00 0.00 175.10 171.30 1x0n s LYS 124 N -1.68 1.93 0.24 1.54 1.02 -1.26 -3.09 119.74 118.44 1x0n s LYS 124 Ca -0.05 -2.16 -0.17 0.00 0.02 0.00 0.00 55.97 53.61 1x0n s LYS 124 Cb -0.00 -0.99 0.01 0.00 -0.52 0.00 0.00 37.83 36.33 1x0n s LYS 124 CO 0.03 -0.34 0.56 -0.06 -0.92 0.00 0.00 175.35 174.62 1x0n s PHE 125 N -3.10 0.07 -0.25 3.18 0.40 0.46 -4.95 117.98 113.78 1x0n s PHE 125 Ca 0.23 -0.46 -0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1x0n s PHE 125 Cb 0.04 0.40 -0.17 0.00 0.51 0.00 0.00 43.02 43.81 1x0n s PHE 125 CO 0.12 -1.05 -0.19 0.09 0.70 0.00 0.00 175.22 174.89 1x0n n ASN 126 N -0.39 1.99 -4.42 1.36 3.02 -1.26 -2.23 115.26 113.32 1x0n n ASN 126 Ca -0.04 0.01 -0.21 0.00 -0.03 0.00 0.00 54.58 54.31 1x0n n ASN 126 Cb 0.61 -0.56 -0.10 0.00 -0.61 0.00 0.00 39.78 39.12 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 -6.80 2.46 -0.03 6.41 0.15 -1.26 -4.43 113.70 110.20 1x0n s SER 127 Ca -0.35 -1.27 -0.20 0.00 0.70 0.00 0.00 55.95 54.83 1x0n s SER 127 Cb 0.10 -0.11 -0.13 0.00 -1.71 0.00 0.00 66.02 64.17 1x0n s SER 127 CO 0.59 -0.48 0.89 -0.07 1.20 0.00 0.00 173.24 175.37 1x0n h LEU 128 N 2.24 -0.35 -1.49 3.45 3.38 -1.97 -3.18 115.31 117.40 1x0n h LEU 128 Ca -0.40 -0.17 0.48 0.00 0.09 0.00 0.00 57.88 57.88 1x0n h LEU 128 Cb 1.24 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.95 1x0n h LEU 128 CO 0.68 0.11 0.96 -1.13 0.09 0.00 0.00 178.44 179.15 1x0n h ASN 129 N -0.96 0.18 -0.57 -0.43 -1.24 -1.99 1.26 115.58 111.83 1x0n h ASN 129 Ca -0.04 0.13 -0.03 0.00 0.71 0.00 0.00 56.30 57.07 1x0n h ASN 129 Cb 0.50 0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.66 1x0n h ASN 129 CO 0.07 -0.21 0.24 -0.08 -1.29 0.00 0.00 177.43 176.16 1x0n h GLU 130 N 0.02 0.84 -0.03 6.67 4.22 -1.98 -2.04 114.58 122.29 1x0n h GLU 130 Ca 0.88 -0.15 -0.00 0.00 0.08 0.00 0.00 59.36 60.16 1x0n h GLU 130 Cb 2.92 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 32.03 1x0n h GLU 130 CO -0.39 0.72 0.00 -0.07 -2.18 0.00 0.00 179.01 177.09 1x0n h LEU 131 N 0.78 0.05 -0.87 1.64 4.07 0.15 -1.66 115.31 119.47 1x0n h LEU 131 Ca 0.19 -0.30 0.13 0.00 0.08 0.00 0.00 57.88 57.98 1x0n h LEU 131 Cb 0.18 -0.01 -0.09 0.00 1.08 0.00 0.00 40.66 41.82 1x0n h LEU 131 CO -0.02 0.34 0.47 0.58 -1.08 0.00 0.00 178.44 178.74 1x0n h VAL 132 N -0.24 0.79 0.22 1.22 2.07 -1.31 0.13 116.25 119.12 1x0n h VAL 132 Ca 0.01 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1x0n h VAL 132 Cb 0.31 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1x0n h VAL 132 CO 0.00 0.13 -0.10 -0.78 0.02 0.00 0.00 177.57 176.84 1x0n h ASP 133 N 0.71 -0.25 -0.39 0.57 3.58 -1.27 -1.88 116.42 117.49 1x0n h ASP 133 Ca 0.46 0.01 0.11 0.00 0.42 0.00 0.00 57.03 58.03 1x0n h ASP 133 Cb 0.59 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 1x0n h ASP 133 CO -0.33 -0.11 0.62 0.22 -2.88 0.00 0.00 179.24 176.76 1x0n h TYR 134 N -0.42 0.00 0.11 0.28 3.20 -1.19 0.73 116.97 119.68 1x0n h TYR 134 Ca -0.03 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.57 1x0n h TYR 134 Cb 0.22 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.50 1x0n h TYR 134 CO 0.10 0.00 -1.19 0.45 -1.64 0.00 0.00 178.16 175.88 1x0n h HIS 135 N 0.00 0.53 0.00 -3.82 3.86 -0.65 -2.01 115.15 113.06 1x0n h HIS 135 Ca 0.19 -0.37 -0.03 0.00 -1.16 0.00 0.00 60.37 59.00 1x0n h HIS 135 Cb 1.42 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.86 1x0n h HIS 135 CO 0.00 1.26 -0.16 0.07 0.86 0.00 0.00 177.93 179.96 1x0n h ARG 136 N 0.11 0.00 0.01 2.45 0.11 0.13 -3.22 114.38 113.96 1x0n h ARG 136 Ca -0.13 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.67 1x0n h ARG 136 Cb 1.90 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.93 1x0n h ARG 136 CO 0.20 0.16 -1.65 1.03 0.10 0.00 0.00 179.97 179.81 1x0n h SER 137 N 0.00 0.02 -4.16 0.08 0.87 -1.25 -3.41 113.55 105.70 1x0n h SER 137 Ca -0.00 -0.04 -0.61 0.00 -1.23 0.00 0.00 61.79 59.90 1x0n h SER 137 Cb 1.01 -0.01 -0.24 0.00 -0.44 0.00 0.00 62.40 62.73 1x0n h SER 137 CO 0.02 1.04 -0.85 -0.89 -0.53 0.00 0.00 176.83 175.62 1x0n s THR 138 N -2.61 1.89 0.98 2.23 2.01 -0.76 -5.10 115.64 114.29 1x0n s THR 138 Ca -0.05 -1.48 -0.16 0.00 0.31 0.00 0.00 61.69 60.31 1x0n s THR 138 Cb 0.08 -1.67 -0.12 0.00 0.01 0.00 0.00 72.50 70.79 1x0n s THR 138 CO 0.82 0.11 -0.62 -1.54 -0.69 0.00 0.00 174.62 172.70 1x0n n SER 139 N 1.34 -5.43 0.00 3.53 3.41 -1.26 -4.52 113.62 110.69 1x0n n SER 139 Ca -0.18 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1x0n n SER 139 Cb 0.53 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 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 -2.62 0.00 -3.03 -3.33 0.24 -1.25 -4.91 118.33 103.43 1x0n n VAL 140 Ca -0.01 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.91 1x0n n VAL 140 Cb 0.55 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.86 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 -2.10 7.28 -0.18 -1.34 1.04 -1.26 -4.96 113.70 112.19 1x0n s SER 141 Ca 0.00 1.57 0.08 0.00 0.48 0.00 0.00 55.95 58.08 1x0n s SER 141 Cb 0.00 -2.47 0.51 0.00 0.10 0.00 0.00 66.02 64.16 1x0n s SER 141 CO 0.00 0.16 1.35 0.54 0.98 0.00 0.00 173.24 176.27 1x0n n ARG 142 N 1.35 3.21 0.02 4.02 5.12 -1.26 -4.23 116.66 124.90 1x0n n ARG 142 Ca -0.05 -2.00 0.00 0.00 -1.93 0.00 0.00 57.85 53.87 1x0n n ARG 142 Cb 0.49 -1.95 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 1x0n n ARG 142 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1x0n n ASN 143 N 0.23 0.41 -2.37 0.55 4.13 -1.26 -5.12 115.26 111.83 1x0n n ASN 143 Ca 0.21 0.07 -0.08 0.00 1.68 0.00 0.00 54.58 56.46 1x0n n ASN 143 Cb 0.93 -0.11 -0.02 0.00 -1.54 0.00 0.00 39.78 39.03 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 -3.18 1.07 -3.63 3.52 6.02 -1.26 -5.10 117.38 114.82 1x0n n GLN 144 Ca 0.00 -1.05 -0.38 0.00 -0.01 0.00 0.00 57.00 55.55 1x0n n GLN 144 Cb 0.28 0.48 -0.08 0.00 1.02 0.00 0.00 30.24 31.95 1x0n n GLN 144 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1x0n s GLN 145 N -2.49 2.90 0.21 -1.09 -0.21 -1.26 -4.48 119.66 113.24 1x0n s GLN 145 Ca 0.04 -2.66 0.04 0.00 0.02 0.00 0.00 55.36 52.81 1x0n s GLN 145 Cb 0.00 -3.91 -0.05 0.00 1.00 0.00 0.00 33.01 30.05 1x0n s GLN 145 CO 0.03 -1.21 -0.03 0.42 -2.12 0.00 0.00 175.29 172.37 1x0n s ILE 146 N -0.26 1.10 0.43 1.08 1.01 -1.26 -5.10 121.20 118.20 1x0n s ILE 146 Ca 0.19 -2.05 0.04 0.00 0.00 0.00 0.00 60.65 58.83 1x0n s ILE 146 Cb -0.16 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 1x0n s ILE 146 CO -0.06 -0.45 0.03 -0.36 0.00 0.00 0.00 174.94 174.11 1x0n s PHE 147 N -3.38 2.11 -0.48 3.97 0.08 -1.26 -3.91 117.98 115.10 1x0n s PHE 147 Ca 0.25 -0.90 -0.26 0.00 0.12 0.00 0.00 56.93 56.14 1x0n s PHE 147 Cb 0.05 -1.55 0.03 0.00 -0.57 0.00 0.00 43.02 40.97 1x0n s PHE 147 CO 0.06 0.20 0.98 -0.51 -0.10 0.00 0.00 175.22 175.85 1x0n s LEU 148 N -3.71 3.92 0.20 -0.37 1.43 -1.26 -4.56 118.68 114.33 1x0n s LEU 148 Ca 0.24 0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 53.16 1x0n s LEU 148 Cb 0.06 -3.21 -0.08 0.00 0.03 0.00 0.00 46.19 42.99 1x0n s LEU 148 CO 0.12 -1.14 0.95 -0.13 0.23 0.00 0.00 176.35 176.38 1x0n s ARG 149 N 3.99 4.81 -0.24 1.70 1.81 0.44 -4.79 118.95 126.67 1x0n s ARG 149 Ca 0.38 1.48 -0.28 0.00 -1.72 0.00 0.00 55.73 55.59 1x0n s ARG 149 Cb -0.10 -3.31 -0.04 0.00 -0.45 0.00 0.00 34.95 31.05 1x0n s ARG 149 CO 0.26 0.43 2.11 0.34 -0.68 0.00 0.00 175.30 177.76 1x0n s ASP 150 N -0.84 5.59 0.40 0.23 2.15 -1.26 -2.97 116.67 119.97 1x0n s ASP 150 Ca 0.43 1.77 -0.26 0.00 0.43 0.00 0.00 52.55 54.92 1x0n s ASP 150 Cb -0.25 -2.51 -0.09 0.00 -0.30 0.00 0.00 42.92 39.77 1x0n s ASP 150 CO 0.31 -1.87 1.23 -0.51 -0.17 0.00 0.00 175.17 174.16 1x0n s ILE 151 N 7.86 2.91 -1.12 4.11 2.07 -1.26 -4.91 121.20 130.86 1x0n s ILE 151 Ca 0.95 0.80 -0.22 0.00 -1.41 0.00 0.00 60.65 60.77 1x0n s ILE 151 Cb -0.31 -3.46 0.00 0.00 0.13 0.00 0.00 42.46 38.83 1x0n s ILE 151 CO 0.35 0.10 1.75 -1.61 -1.91 0.00 0.00 174.94 173.62 1x0n s GLU 152 N -2.23 3.24 0.97 3.50 2.02 -1.26 -4.90 118.70 120.04 1x0n s GLU 152 Ca 0.56 -1.23 -0.11 0.00 0.02 0.00 0.00 54.97 54.21 1x0n s GLU 152 Cb -0.34 -5.33 0.18 0.00 0.10 0.00 0.00 34.13 28.74 1x0n s GLU 152 CO 0.44 -2.88 1.09 -1.14 0.02 0.00 0.00 175.26 172.78 1x0n s GLN 153 N 5.52 0.59 -0.00 1.61 0.74 -1.26 -4.82 119.66 122.03 1x0n s GLN 153 Ca 0.59 1.13 -0.32 0.00 0.05 0.00 0.00 55.36 56.80 1x0n s GLN 153 Cb -0.00 -1.71 -0.16 0.00 1.10 0.00 0.00 33.01 32.24 1x0n s GLN 153 CO 0.03 -2.79 0.87 1.55 -0.55 0.00 0.00 175.29 174.40 1x0n n VAL 154 N -4.30 0.00 -2.26 1.34 3.14 -1.26 -4.85 118.33 110.14 1x0n n VAL 154 Ca 0.08 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.09 1x0n n VAL 154 Cb 0.54 -0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.30 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 0.02 3.81 -0.31 1.45 0.04 -1.26 -5.01 135.00 133.73 1x0n s PRO 155 Ca 0.74 1.79 -0.13 0.00 0.04 0.00 0.00 61.00 63.44 1x0n s PRO 155 Cb -1.03 -2.45 0.19 0.00 0.04 0.00 0.00 34.50 31.25 1x0n s PRO 155 CO 0.46 -0.52 1.13 -1.14 0.04 0.00 0.00 177.00 176.98 1x0n s GLN 156 N -2.63 0.05 0.07 4.56 0.74 -1.26 -5.14 119.66 116.04 1x0n s GLN 156 Ca 0.62 -0.01 -0.31 0.00 0.05 0.00 0.00 55.36 55.72 1x0n s GLN 156 Cb -0.29 0.01 -0.06 0.00 1.10 0.00 0.00 33.01 33.77 1x0n s GLN 156 CO 0.35 -0.07 1.26 -0.65 -0.55 0.00 0.00 175.29 175.63 1x0n s GLN 157 N 2.12 4.40 0.98 1.67 -0.21 -1.26 -5.02 119.66 122.34 1x0n s GLN 157 Ca 0.17 1.86 -0.12 0.00 0.02 0.00 0.00 55.36 57.28 1x0n s GLN 157 Cb 0.04 -3.32 0.18 0.00 1.00 0.00 0.00 33.01 30.90 1x0n s GLN 157 CO -0.17 -0.31 1.09 -1.25 -2.12 0.00 0.00 175.29 172.53 1x0n s PRO 158 N 1.10 0.56 0.00 2.91 0.04 -1.26 -5.36 135.00 133.00 1x0n s PRO 158 Ca 0.60 0.57 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1x0n s PRO 158 Cb -0.32 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1x0n s PRO 158 CO 0.29 -2.66 0.00 -2.37 0.04 0.00 0.00 177.00 172.31