#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 1.67 0.02 5.87 5.36 -1.26 -1.49 117.98 128.15 1x0n s PHE 61 Ca 0.00 -0.46 0.04 0.00 -0.96 0.00 0.00 56.93 55.55 1x0n s PHE 61 Cb 0.00 -0.89 -0.02 0.00 -0.34 0.00 0.00 43.02 41.78 1x0n s PHE 61 CO 0.00 0.21 -0.11 -0.06 -1.46 0.00 0.00 175.22 173.79 1x0n s PHE 62 N -1.54 1.01 -0.65 10.12 0.40 -0.05 -4.93 117.98 122.34 1x0n s PHE 62 Ca 0.08 -0.29 -0.22 0.00 -0.60 0.00 0.00 56.93 55.90 1x0n s PHE 62 Cb -0.08 -0.62 0.08 0.00 0.51 0.00 0.00 43.02 42.91 1x0n s PHE 62 CO 0.04 0.00 0.92 0.20 0.70 0.00 0.00 175.22 177.09 1x0n s GLY 63 N -0.80 1.44 -0.06 4.36 0.00 -1.26 -2.88 107.32 108.11 1x0n s GLY 63 Ca 0.01 -1.91 -0.04 0.00 0.00 0.00 0.00 44.72 42.78 1x0n s GLY 63 CO 0.00 1.99 0.09 0.28 0.00 0.00 0.00 173.10 175.46 1x0n n LYS 64 N 7.49 -3.28 -3.77 2.90 5.02 -1.19 -4.96 118.16 120.36 1x0n n LYS 64 Ca -0.05 2.49 -0.13 0.00 -2.02 0.00 0.00 58.31 58.61 1x0n n LYS 64 Cb 0.45 -3.28 -0.12 0.00 -0.02 0.00 0.00 35.03 32.05 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 -0.39 -0.01 0.24 -0.18 -4.36 -1.26 -5.00 121.20 110.24 1x0n s ILE 65 Ca -0.10 0.05 -0.30 0.00 -0.26 0.00 0.00 60.65 60.04 1x0n s ILE 65 Cb 0.01 -0.35 -0.09 0.00 1.25 0.00 0.00 42.46 43.27 1x0n s ILE 65 CO 0.28 0.02 1.27 -2.16 0.24 0.00 0.00 174.94 174.59 1x0n s PRO 66 N 0.50 4.42 0.23 0.37 0.04 -1.26 -4.79 135.00 134.52 1x0n s PRO 66 Ca -0.03 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.16 1x0n s PRO 66 Cb -0.05 -3.16 0.78 0.00 0.04 0.00 0.00 34.50 32.11 1x0n s PRO 66 CO -0.03 -0.16 1.02 0.54 0.04 0.00 0.00 177.00 178.42 1x0n n ARG 67 N 1.94 -0.04 -0.07 4.56 1.74 -1.26 0.21 116.66 123.73 1x0n n ARG 67 Ca 0.03 0.91 -0.07 0.00 -0.77 0.00 0.00 57.85 57.96 1x0n n ARG 67 Cb 0.43 -1.59 -0.01 0.00 -1.02 0.00 0.00 32.46 30.27 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 1.29 0.20 -0.21 7.54 0.00 -2.00 -1.06 119.26 125.04 1x0n h ALA 68 Ca 0.51 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1x0n h ALA 68 Cb 1.29 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1x0n h ALA 68 CO -0.53 -0.45 0.13 -0.22 0.00 0.00 0.00 179.25 178.18 1x0n h LYS 69 N 0.03 0.25 0.08 0.00 1.63 0.21 -2.26 116.57 116.51 1x0n h LYS 69 Ca 0.13 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.94 1x0n h LYS 69 Cb 0.20 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.72 1x0n h LYS 69 CO -0.27 0.17 -0.36 0.00 -3.45 0.00 0.00 179.45 175.54 1x0n h ALA 70 N 1.08 -0.60 -0.86 5.00 0.00 -1.08 0.14 119.26 122.95 1x0n h ALA 70 Ca 0.08 -0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.12 1x0n h ALA 70 Cb -0.02 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1x0n h ALA 70 CO -0.03 -0.91 0.57 0.93 0.00 0.00 0.00 179.25 179.82 1x0n h GLU 71 N -0.57 0.40 -0.17 0.00 5.08 -1.09 -0.29 114.58 117.93 1x0n h GLU 71 Ca 0.04 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1x0n h GLU 71 Cb 0.62 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1x0n h GLU 71 CO -0.24 0.26 -0.50 0.93 -1.00 0.00 0.00 179.01 178.47 1x0n h GLU 72 N 0.41 0.64 0.00 2.33 4.39 -0.59 -0.16 114.58 121.60 1x0n h GLU 72 Ca 0.44 -0.46 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1x0n h GLU 72 Cb 1.07 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1x0n h GLU 72 CO -0.16 1.08 -0.02 0.52 -1.16 0.00 0.00 179.01 179.28 1x0n h MET 73 N 0.32 0.00 0.00 2.33 2.86 0.94 0.14 114.93 121.53 1x0n h MET 73 Ca -0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1x0n h MET 73 Cb 1.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 1x0n h MET 73 CO 0.11 0.02 -0.52 -0.07 1.06 0.00 0.00 176.91 177.50 1x0n h LEU 74 N 0.00 0.00 -0.89 1.22 3.38 -1.26 -3.37 115.31 114.39 1x0n h LEU 74 Ca -0.00 -0.31 0.15 0.00 0.09 0.00 0.00 57.88 57.81 1x0n h LEU 74 Cb 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.69 1x0n h LEU 74 CO 0.00 0.94 0.49 -1.28 0.09 0.00 0.00 178.44 178.69 1x0n h SER 75 N -1.00 0.62 0.00 -0.43 0.87 -0.95 0.37 113.55 113.03 1x0n h SER 75 Ca -0.10 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1x0n h SER 75 Cb 0.70 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1x0n h SER 75 CO -0.06 0.27 0.23 0.07 -0.53 0.00 0.00 176.83 176.81 1x0n h LYS 76 N 0.69 0.00 -7.50 2.24 2.10 -1.13 -3.42 116.57 109.55 1x0n h LYS 76 Ca 0.49 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 58.68 1x0n h LYS 76 Cb 0.67 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 32.13 1x0n h LYS 76 CO -0.35 0.00 0.30 -0.65 -2.00 0.00 0.00 179.45 176.75 1x0n s GLN 77 N -4.00 1.12 -0.10 0.07 -1.52 0.13 -5.01 119.66 110.35 1x0n s GLN 77 Ca -0.03 0.27 0.10 0.00 -1.95 0.00 0.00 55.36 53.74 1x0n s GLN 77 Cb 0.09 -1.84 -0.14 0.00 -0.22 0.00 0.00 33.01 30.90 1x0n s GLN 77 CO 0.29 -2.20 0.06 0.54 -0.25 0.00 0.00 175.29 173.73 1x0n n ARG 78 N -3.77 1.99 0.00 2.91 5.12 -1.26 -5.02 116.66 116.63 1x0n n ARG 78 Ca 0.07 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1x0n n ARG 78 Cb 0.59 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.61 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 -2.35 -2.91 -3.79 -1.55 8.25 -1.26 -5.06 115.22 106.54 1x0n n HIS 79 Ca -0.16 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.04 1x0n n HIS 79 Cb 0.79 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.73 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 -1.45 2.27 0.00 0.41 1.01 -1.26 -4.79 116.67 112.85 1x0n s ASP 80 Ca 0.00 -0.43 0.00 0.00 0.71 0.00 0.00 52.55 52.83 1x0n s ASP 80 Cb 0.00 -0.61 0.00 0.00 1.01 0.00 0.00 42.92 43.32 1x0n s ASP 80 CO 0.00 -0.22 0.00 0.61 0.21 0.00 0.00 175.17 175.77 1x0n n GLY 81 N 5.05 1.74 3.71 0.21 0.00 -1.21 -4.59 105.19 110.10 1x0n n GLY 81 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.67 2.66 -2.66 4.61 0.00 -1.26 -0.42 120.51 122.77 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 -2.53 -0.09 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 1.44 3.00 -0.21 0.00 -0.12 -1.14 -2.08 117.98 118.86 1x0n s PHE 83 Ca 0.77 0.03 -0.04 0.00 -0.05 0.00 0.00 56.93 57.63 1x0n s PHE 83 Cb -0.51 -1.63 0.11 0.00 -0.63 0.00 0.00 43.02 40.36 1x0n s PHE 83 CO 0.33 0.44 0.35 -1.17 -0.05 0.00 0.00 175.22 175.12 1x0n s LEU 84 N -1.62 -0.51 -0.20 -1.99 0.20 -0.61 -4.30 118.68 109.64 1x0n s LEU 84 Ca 0.20 0.38 -0.20 0.00 0.69 0.00 0.00 54.13 55.19 1x0n s LEU 84 Cb -0.11 0.99 -0.03 0.00 -0.43 0.00 0.00 46.19 46.61 1x0n s LEU 84 CO 0.10 -0.28 0.60 -0.63 -0.29 0.00 0.00 176.35 175.86 1x0n s ILE 85 N 2.51 5.04 -0.02 6.68 1.01 -0.55 -0.91 121.20 134.95 1x0n s ILE 85 Ca 0.07 1.13 0.03 0.00 0.00 0.00 0.00 60.65 61.88 1x0n s ILE 85 Cb -0.14 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 1x0n s ILE 85 CO -0.13 0.12 -0.08 0.00 0.00 0.00 0.00 174.94 174.84 1x0n s ARG 86 N 1.89 2.59 0.19 2.79 3.03 0.43 -0.87 118.95 128.99 1x0n s ARG 86 Ca 0.27 -0.67 0.04 0.00 2.03 0.00 0.00 55.73 57.41 1x0n s ARG 86 Cb -0.16 -2.50 -0.04 0.00 -1.03 0.00 0.00 34.95 31.23 1x0n s ARG 86 CO 0.10 0.62 0.24 -2.00 -1.13 0.00 0.00 175.30 173.14 1x0n s GLU 87 N -1.13 3.20 0.42 3.89 2.12 -1.14 -2.03 118.70 124.03 1x0n s GLU 87 Ca 0.15 -0.78 -0.02 0.00 0.36 0.00 0.00 54.97 54.68 1x0n s GLU 87 Cb -0.11 -2.79 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 1x0n s GLU 87 CO 0.04 0.47 0.66 -1.12 -0.54 0.00 0.00 175.26 174.78 1x0n s SER 88 N -3.44 6.18 -0.28 -1.70 0.01 -1.16 -3.20 113.70 110.12 1x0n s SER 88 Ca 0.33 0.60 -0.14 0.00 1.31 0.00 0.00 55.95 58.05 1x0n s SER 88 Cb -0.10 -2.01 -0.12 0.00 0.21 0.00 0.00 66.02 64.00 1x0n s SER 88 CO 0.27 -0.49 -0.35 -1.84 0.41 0.00 0.00 173.24 171.24 1x0n n GLU 89 N -2.03 0.59 -0.03 12.44 0.28 -1.26 -4.39 120.64 126.24 1x0n n GLU 89 Ca -0.02 0.27 0.10 0.00 -0.16 0.00 0.00 57.16 57.35 1x0n n GLU 89 Cb 0.56 -1.50 0.49 0.00 1.43 0.00 0.00 31.44 32.43 1x0n n GLU 89 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1x0n n SER 90 N -4.25 0.54 -3.42 -1.84 7.64 -1.26 -4.42 113.62 106.62 1x0n n SER 90 Ca -0.54 -1.51 -0.25 0.00 1.01 0.00 0.00 58.87 57.57 1x0n n SER 90 Cb 0.89 -0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.95 1x0n n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x0n s ALA 91 N -1.93 0.57 -0.31 -0.43 0.00 -1.26 -5.11 121.76 113.29 1x0n s ALA 91 Ca 0.29 -1.67 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 1x0n s ALA 91 Cb 0.14 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 1x0n s ALA 91 CO 0.23 -2.11 1.67 -1.25 0.00 0.00 0.00 175.76 174.30 1x0n s PRO 92 N 1.05 3.52 0.00 0.00 0.04 -1.26 -2.59 135.00 135.76 1x0n s PRO 92 Ca 0.20 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1x0n s PRO 92 Cb -0.18 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1x0n s PRO 92 CO -0.02 -1.63 0.00 0.41 0.04 0.00 0.00 177.00 175.80 1x0n n GLY 93 N 5.14 1.82 3.67 0.56 0.00 -1.26 -5.09 105.19 110.02 1x0n n GLY 93 Ca 0.20 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 -1.88 7.11 0.02 1.61 -1.08 -1.07 -4.99 116.67 116.39 1x0n s ASP 94 Ca 0.00 1.50 0.07 0.00 -0.52 0.00 0.00 52.55 53.60 1x0n s ASP 94 Cb 0.00 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.89 1x0n s ASP 94 CO 0.00 -0.62 -0.21 -0.36 0.52 0.00 0.00 175.17 174.50 1x0n s PHE 95 N 2.87 2.49 -0.07 -5.34 0.08 -1.26 -2.96 117.98 113.79 1x0n s PHE 95 Ca 0.48 -0.31 -0.03 0.00 0.12 0.00 0.00 56.93 57.19 1x0n s PHE 95 Cb -0.18 -1.47 0.04 0.00 -0.57 0.00 0.00 43.02 40.85 1x0n s PHE 95 CO 0.11 0.18 0.13 -1.54 -0.10 0.00 0.00 175.22 174.00 1x0n s SER 96 N -1.20 0.57 -0.08 1.36 1.04 -0.86 -2.80 113.70 111.72 1x0n s SER 96 Ca 0.13 0.27 -0.14 0.00 0.48 0.00 0.00 55.95 56.68 1x0n s SER 96 Cb -0.10 0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 1x0n s SER 96 CO 0.03 -0.22 0.36 -0.22 0.98 0.00 0.00 173.24 174.17 1x0n s LEU 97 N 1.94 4.37 -0.25 2.42 1.98 -1.01 -0.43 118.68 127.70 1x0n s LEU 97 Ca -0.00 0.76 0.02 0.00 -2.89 0.00 0.00 54.13 52.02 1x0n s LEU 97 Cb -0.12 -2.49 0.06 0.00 0.66 0.00 0.00 46.19 44.30 1x0n s LEU 97 CO -0.05 0.22 -0.10 -0.44 -1.89 0.00 0.00 176.35 174.09 1x0n s SER 98 N -0.35 4.18 -0.08 3.68 0.01 -0.09 -0.49 113.70 120.56 1x0n s SER 98 Ca 0.21 -1.28 -0.00 0.00 1.31 0.00 0.00 55.95 56.18 1x0n s SER 98 Cb -0.15 -1.42 -0.03 0.00 0.21 0.00 0.00 66.02 64.63 1x0n s SER 98 CO 0.09 -0.19 -0.05 -0.69 0.41 0.00 0.00 173.24 172.81 1x0n s VAL 99 N 1.21 3.88 0.06 3.43 1.01 -0.15 -1.58 120.40 128.27 1x0n s VAL 99 Ca -0.07 -0.40 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 1x0n s VAL 99 Cb -0.19 -2.61 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 1x0n s VAL 99 CO -0.06 0.59 0.58 -0.75 0.00 0.00 0.00 175.10 175.46 1x0n s LYS 100 N -0.69 4.23 -0.35 2.72 2.20 -0.89 -0.31 119.74 126.66 1x0n s LYS 100 Ca 0.11 0.75 -0.00 0.00 -0.36 0.00 0.00 55.97 56.46 1x0n s LYS 100 Cb -0.11 -3.25 0.13 0.00 -1.51 0.00 0.00 37.83 33.08 1x0n s LYS 100 CO 0.02 0.60 0.19 -0.06 -0.36 0.00 0.00 175.35 175.74 1x0n s PHE 101 N -0.97 0.89 0.00 4.03 0.08 0.14 -3.32 117.98 118.82 1x0n s PHE 101 Ca 0.29 -1.61 0.00 0.00 0.12 0.00 0.00 56.93 55.73 1x0n s PHE 101 Cb -0.19 -1.10 0.00 0.00 -0.57 0.00 0.00 43.02 41.16 1x0n s PHE 101 CO 0.19 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 174.89 1x0n n GLY 102 N 4.24 0.80 0.17 4.36 0.00 -1.26 -1.41 105.19 112.10 1x0n n GLY 102 Ca 0.07 0.45 0.09 0.00 0.00 0.00 0.00 46.02 46.63 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 7.22 2.17 -3.68 1.61 5.15 -1.26 -4.98 115.26 121.50 1x0n n ASN 103 Ca 0.00 -3.19 -0.18 0.00 -0.60 0.00 0.00 54.58 50.62 1x0n n ASN 103 Cb 0.00 -0.44 -0.16 0.00 -0.53 0.00 0.00 39.78 38.65 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 -2.88 0.76 -0.58 1.20 1.01 -0.50 -5.11 116.67 110.57 1x0n s ASP 104 Ca 0.32 0.20 -0.21 0.00 0.71 0.00 0.00 52.55 53.58 1x0n s ASP 104 Cb 0.29 0.07 0.08 0.00 1.01 0.00 0.00 42.92 44.37 1x0n s ASP 104 CO 0.01 -0.23 0.78 -0.69 0.21 0.00 0.00 175.17 175.25 1x0n s VAL 105 N 2.03 4.65 0.79 -1.27 1.01 -1.26 -0.69 120.40 125.66 1x0n s VAL 105 Ca 0.02 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1x0n s VAL 105 Cb -0.12 -4.50 0.11 0.00 0.00 0.00 0.00 36.38 31.88 1x0n s VAL 105 CO -0.04 -1.13 1.11 -1.10 0.00 0.00 0.00 175.10 173.93 1x0n s GLN 106 N 3.18 1.64 0.23 2.72 -1.52 0.58 -4.89 119.66 121.60 1x0n s GLN 106 Ca 0.17 -0.45 -0.10 0.00 -1.95 0.00 0.00 55.36 53.04 1x0n s GLN 106 Cb -0.20 -2.10 -0.01 0.00 -0.22 0.00 0.00 33.01 30.49 1x0n s GLN 106 CO 0.10 -1.64 0.38 -3.38 -0.25 0.00 0.00 175.29 170.51 1x0n s HIS 107 N -3.43 0.53 -0.05 0.91 -3.43 -1.26 -0.97 115.29 107.59 1x0n s HIS 107 Ca 0.65 -0.86 -0.02 0.00 -0.80 0.00 0.00 55.06 54.03 1x0n s HIS 107 Cb -0.08 0.00 0.04 0.00 -1.43 0.00 0.00 32.58 31.11 1x0n s HIS 107 CO 0.47 -0.89 0.09 -0.06 -2.00 0.00 0.00 174.74 172.36 1x0n s PHE 108 N -4.04 -0.05 -0.32 0.38 0.40 0.36 -4.95 117.98 109.76 1x0n s PHE 108 Ca 0.25 0.35 -0.29 0.00 -0.60 0.00 0.00 56.93 56.65 1x0n s PHE 108 Cb 0.01 -0.29 0.01 0.00 0.51 0.00 0.00 43.02 43.26 1x0n s PHE 108 CO 0.09 -0.18 1.25 0.15 0.70 0.00 0.00 175.22 177.23 1x0n s LYS 109 N 1.73 3.92 0.12 0.44 -0.14 -1.26 -2.40 119.74 122.15 1x0n s LYS 109 Ca -0.02 1.15 -0.30 0.00 -1.36 0.00 0.00 55.97 55.44 1x0n s LYS 109 Cb -0.12 -3.86 -0.06 0.00 -1.68 0.00 0.00 37.83 32.11 1x0n s LYS 109 CO -0.04 -1.11 1.02 0.08 -0.76 0.00 0.00 175.35 174.53 1x0n s VAL 110 N 4.28 4.30 -0.11 3.17 1.01 -1.12 -4.93 120.40 127.00 1x0n s VAL 110 Ca 0.54 1.89 -0.04 0.00 0.00 0.00 0.00 61.98 64.37 1x0n s VAL 110 Cb -0.15 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1x0n s VAL 110 CO 0.23 0.28 0.04 -0.76 0.00 0.00 0.00 175.10 174.88 1x0n s LEU 111 N 0.03 3.76 -0.06 3.92 2.01 -0.79 -4.67 118.68 122.88 1x0n s LEU 111 Ca 0.49 0.19 -0.00 0.00 0.01 0.00 0.00 54.13 54.81 1x0n s LEU 111 Cb -0.25 -1.89 0.02 0.00 0.01 0.00 0.00 46.19 44.08 1x0n s LEU 111 CO 0.31 0.34 -0.02 0.00 1.01 0.00 0.00 176.35 177.99 1x0n s ARG 112 N -0.66 0.74 0.33 1.70 3.03 -1.26 -1.14 118.95 121.69 1x0n s ARG 112 Ca 0.11 -0.01 0.04 0.00 2.03 0.00 0.00 55.73 57.90 1x0n s ARG 112 Cb -0.12 -0.93 -0.04 0.00 -1.03 0.00 0.00 34.95 32.84 1x0n s ARG 112 CO 0.02 -0.20 0.16 -0.51 -1.13 0.00 0.00 175.30 173.65 1x0n s ASP 113 N 1.45 1.80 0.00 -2.89 1.11 -0.92 -4.91 116.67 112.32 1x0n s ASP 113 Ca -0.03 -1.59 0.00 0.00 0.18 0.00 0.00 52.55 51.11 1x0n s ASP 113 Cb -0.13 0.40 0.00 0.00 1.07 0.00 0.00 42.92 44.26 1x0n s ASP 113 CO -0.03 -0.90 0.00 0.61 1.18 0.00 0.00 175.17 176.03 1x0n n GLY 114 N -0.65 1.17 0.18 0.21 0.00 -1.26 -2.90 105.19 101.94 1x0n n GLY 114 Ca 0.00 -0.02 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 0.00 0.00 -1.90 4.61 0.00 -1.26 -4.98 120.51 116.98 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 -0.99 0.42 3.67 0.00 0.00 -1.24 -5.09 105.19 101.95 1x0n n GLY 116 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1x0n n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0n s LYS 117 N 0.00 4.27 0.22 1.61 3.01 -1.14 -4.68 119.74 123.02 1x0n s LYS 117 Ca 0.00 0.79 -0.01 0.00 -1.01 0.00 0.00 55.97 55.74 1x0n s LYS 117 Cb 0.00 -3.56 -0.04 0.00 -1.01 0.00 0.00 37.83 33.21 1x0n s LYS 117 CO 0.00 -0.25 0.42 0.71 0.51 0.00 0.00 175.35 176.74 1x0n s TYR 118 N 1.90 3.48 -0.12 3.18 2.02 -0.81 -2.17 117.35 124.83 1x0n s TYR 118 Ca 0.33 0.39 -0.31 0.00 -0.37 0.00 0.00 57.07 57.11 1x0n s TYR 118 Cb -0.16 -1.89 0.13 0.00 -0.40 0.00 0.00 41.96 39.63 1x0n s TYR 118 CO 0.12 0.35 1.05 -0.59 -1.57 0.00 0.00 175.55 174.91 1x0n s PHE 119 N -1.90 -0.26 0.00 2.71 -0.71 -0.29 -1.13 117.98 116.39 1x0n s PHE 119 Ca 0.39 0.26 0.00 0.00 -1.04 0.00 0.00 56.93 56.54 1x0n s PHE 119 Cb -0.11 0.51 0.00 0.00 -1.21 0.00 0.00 43.02 42.21 1x0n s PHE 119 CO 0.29 -0.35 0.00 1.28 -1.34 0.00 0.00 175.22 175.10 1x0n n LEU 120 N 0.09 0.00 0.00 -1.99 4.32 -1.16 -1.89 117.00 116.37 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 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 1x0n n LEU 120 CO 0.11 0.00 0.08 0.79 -1.22 0.00 0.00 177.39 177.15 1x0n n TRP 121 N 0.00 0.00 0.00 -1.77 7.02 -1.26 -4.89 117.44 116.54 1x0n n TRP 121 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1x0n n TRP 121 Cb 0.00 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 28.50 1x0n n TRP 121 CO 0.00 0.00 0.00 1.55 -2.02 0.00 0.00 177.69 177.22 1x0n n VAL 122 N -1.67 0.00 -2.49 -0.99 3.14 -1.26 -5.08 118.33 109.98 1x0n n VAL 122 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 1x0n n VAL 122 Cb 0.00 -0.34 -0.04 0.00 -1.06 0.00 0.00 33.84 32.41 1x0n n VAL 122 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1x0n s VAL 123 N -1.40 3.60 0.17 1.55 0.11 -1.26 -5.06 120.40 118.11 1x0n s VAL 123 Ca 0.00 1.24 -0.00 0.00 -2.93 0.00 0.00 61.98 60.29 1x0n s VAL 123 Cb 0.00 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 1x0n s VAL 123 CO 0.00 0.02 0.08 -1.59 -3.33 0.00 0.00 175.10 170.28 1x0n s LYS 124 N -2.47 1.10 0.26 1.54 -2.85 -1.26 -2.97 119.74 113.08 1x0n s LYS 124 Ca 0.58 -1.55 -0.07 0.00 -1.00 0.00 0.00 55.97 53.93 1x0n s LYS 124 Cb -0.24 0.13 0.03 0.00 -2.06 0.00 0.00 37.83 35.69 1x0n s LYS 124 CO 0.30 -0.29 0.47 1.19 0.10 0.00 0.00 175.35 177.11 1x0n n PHE 125 N -0.21 -1.67 -0.09 1.78 3.01 -0.29 -4.99 117.46 115.01 1x0n n PHE 125 Ca -0.02 -1.35 -0.11 0.00 1.01 0.00 0.00 57.45 56.97 1x0n n PHE 125 Cb 0.65 0.54 -0.05 0.00 -0.01 0.00 0.00 39.48 40.61 1x0n n PHE 125 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1x0n n ASN 126 N -1.49 1.85 -4.99 4.37 3.02 -1.26 -1.92 115.26 114.83 1x0n n ASN 126 Ca -0.04 0.52 -0.21 0.00 -0.03 0.00 0.00 54.58 54.82 1x0n n ASN 126 Cb 0.40 -0.88 0.03 0.00 -0.61 0.00 0.00 39.78 38.72 1x0n n ASN 126 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1x0n s SER 127 N -6.17 5.02 0.19 6.41 0.01 -1.26 -4.24 113.70 113.66 1x0n s SER 127 Ca -0.22 -0.91 0.12 0.00 1.31 0.00 0.00 55.95 56.25 1x0n s SER 127 Cb 0.04 0.20 -0.06 0.00 0.21 0.00 0.00 66.02 66.40 1x0n s SER 127 CO 0.36 -1.19 1.30 -0.07 0.41 0.00 0.00 173.24 174.05 1x0n h LEU 128 N 0.42 0.00 -2.21 2.44 3.38 -1.95 -3.24 115.31 114.15 1x0n h LEU 128 Ca -0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1x0n h LEU 128 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1x0n h LEU 128 CO 0.46 0.71 -0.05 -0.55 0.09 0.00 0.00 178.44 179.10 1x0n h ASN 129 N 0.00 0.00 0.92 -0.43 -1.07 -2.00 -0.82 115.58 112.18 1x0n h ASN 129 Ca -0.03 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.25 1x0n h ASN 129 Cb 1.57 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.81 1x0n h ASN 129 CO 0.09 0.05 -0.40 -0.33 0.07 0.00 0.00 177.43 176.90 1x0n h GLU 130 N 0.00 0.00 0.08 4.14 4.39 -1.98 -2.72 114.58 118.50 1x0n h GLU 130 Ca -0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1x0n h GLU 130 Cb 0.13 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1x0n h GLU 130 CO 0.01 0.40 -0.59 -0.07 -1.16 0.00 0.00 179.01 177.60 1x0n h LEU 131 N 0.00 0.28 -0.42 1.33 3.38 -1.32 -2.48 115.31 116.07 1x0n h LEU 131 Ca -0.00 -0.95 0.03 0.00 0.09 0.00 0.00 57.88 57.05 1x0n h LEU 131 Cb 0.97 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1x0n h LEU 131 CO 0.05 1.28 0.22 0.58 0.09 0.00 0.00 178.44 180.66 1x0n h VAL 132 N -0.61 0.99 0.52 1.22 2.07 -1.49 0.15 116.25 119.08 1x0n h VAL 132 Ca -0.11 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1x0n h VAL 132 Cb 1.41 0.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1x0n h VAL 132 CO 0.08 0.08 -0.25 -0.78 0.02 0.00 0.00 177.57 176.72 1x0n h ASP 133 N 0.44 -0.59 0.13 0.57 3.58 -1.62 -0.82 116.42 118.12 1x0n h ASP 133 Ca 0.18 -0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.59 1x0n h ASP 133 Cb 0.07 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.23 1x0n h ASP 133 CO -0.12 -0.20 -0.52 0.22 -2.88 0.00 0.00 179.24 175.74 1x0n h TYR 134 N -1.06 -1.51 -0.15 0.28 5.03 -1.39 0.37 116.97 118.53 1x0n h TYR 134 Ca -0.07 0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.32 1x0n h TYR 134 Cb 0.61 0.64 -0.01 0.00 1.55 0.00 0.00 36.73 39.52 1x0n h TYR 134 CO 0.01 -0.59 0.15 1.25 -1.32 0.00 0.00 178.16 177.66 1x0n h HIS 135 N -0.75 0.00 0.00 -3.82 2.76 -0.81 0.22 115.15 112.75 1x0n h HIS 135 Ca -0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1x0n h HIS 135 Cb 0.75 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.71 1x0n h HIS 135 CO -0.45 0.00 -0.07 -0.09 -1.30 0.00 0.00 177.93 176.02 1x0n h ARG 136 N 0.00 0.00 0.00 5.26 2.43 0.54 -3.08 114.38 119.53 1x0n h ARG 136 Ca 0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1x0n h ARG 136 Cb 0.37 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1x0n h ARG 136 CO -0.00 0.07 -1.71 -1.13 -1.51 0.00 0.00 179.97 175.68 1x0n n SER 137 N -3.15 0.26 -4.42 -3.80 3.41 0.66 -4.32 113.62 102.26 1x0n n SER 137 Ca 0.02 0.10 -0.27 0.00 -0.26 0.00 0.00 58.87 58.46 1x0n n SER 137 Cb 0.44 1.49 -0.12 0.00 -0.26 0.00 0.00 64.21 65.76 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 -3.44 2.37 1.00 6.66 -1.32 -0.44 -5.10 115.64 115.36 1x0n s THR 138 Ca -0.06 -1.94 -0.17 0.00 -1.21 0.00 0.00 61.69 58.31 1x0n s THR 138 Cb 0.12 -2.11 -0.15 0.00 -1.51 0.00 0.00 72.50 68.85 1x0n s THR 138 CO 0.87 -0.06 -0.82 -1.54 -2.21 0.00 0.00 174.62 170.86 1x0n n SER 139 N 0.44 -5.99 0.00 8.08 3.41 -1.26 -4.67 113.62 113.63 1x0n n SER 139 Ca -0.14 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1x0n n SER 139 Cb 0.55 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 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 -2.51 0.00 -3.03 -3.33 0.24 -1.20 -4.92 118.33 103.57 1x0n n VAL 140 Ca -0.02 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.89 1x0n n VAL 140 Cb 0.56 -0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 32.65 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 -3.75 7.27 -0.19 -1.34 0.15 -1.26 -4.95 113.70 109.62 1x0n s SER 141 Ca 0.00 1.50 0.01 0.00 0.70 0.00 0.00 55.95 58.17 1x0n s SER 141 Cb 0.00 -2.46 0.24 0.00 -1.71 0.00 0.00 66.02 62.09 1x0n s SER 141 CO 0.00 0.15 1.49 0.54 1.20 0.00 0.00 173.24 176.62 1x0n n ARG 142 N 2.05 1.52 0.03 5.44 1.74 -1.26 -4.00 116.66 122.17 1x0n n ARG 142 Ca -0.05 -1.19 0.00 0.00 -0.77 0.00 0.00 57.85 55.83 1x0n n ARG 142 Cb 0.50 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 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 -0.01 0.11 -0.84 0.55 2.85 -1.26 -5.14 115.26 111.52 1x0n n ASN 143 Ca 0.24 0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 1x0n n ASN 143 Cb 0.88 0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.93 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 -2.94 1.74 -3.67 1.20 6.02 -1.26 -5.11 117.38 113.36 1x0n n GLN 144 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1x0n n GLN 144 Cb 0.16 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.33 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 -0.59 2.67 0.14 -1.09 -0.21 -1.26 -4.52 119.66 114.79 1x0n s GLN 145 Ca 0.00 -2.49 0.05 0.00 0.02 0.00 0.00 55.36 52.94 1x0n s GLN 145 Cb 0.00 -3.81 -0.04 0.00 1.00 0.00 0.00 33.01 30.16 1x0n s GLN 145 CO 0.00 -1.18 -0.12 0.42 -2.12 0.00 0.00 175.29 172.29 1x0n s ILE 146 N 0.03 1.25 0.39 1.08 1.01 -1.26 -5.07 121.20 118.62 1x0n s ILE 146 Ca 0.17 -1.92 0.06 0.00 0.00 0.00 0.00 60.65 58.96 1x0n s ILE 146 Cb -0.19 -1.71 -0.08 0.00 0.01 0.00 0.00 42.46 40.49 1x0n s ILE 146 CO -0.04 -0.61 0.01 -0.36 0.00 0.00 0.00 174.94 173.94 1x0n s PHE 147 N -2.83 2.39 -0.50 3.97 0.08 -1.26 -3.25 117.98 116.58 1x0n s PHE 147 Ca 0.14 -0.72 -0.27 0.00 0.12 0.00 0.00 56.93 56.19 1x0n s PHE 147 Cb -0.01 -1.65 0.03 0.00 -0.57 0.00 0.00 43.02 40.82 1x0n s PHE 147 CO 0.02 0.37 1.08 -0.51 -0.10 0.00 0.00 175.22 176.07 1x0n s LEU 148 N -3.66 3.74 0.01 -0.37 1.43 -1.26 -4.58 118.68 113.99 1x0n s LEU 148 Ca 0.35 0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 1x0n s LEU 148 Cb 0.09 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 1x0n s LEU 148 CO 0.17 -1.25 1.10 -0.13 0.23 0.00 0.00 176.35 176.48 1x0n s ARG 149 N 4.34 4.47 -0.45 1.70 1.81 0.43 -4.83 118.95 126.42 1x0n s ARG 149 Ca 0.42 1.60 -0.28 0.00 -1.72 0.00 0.00 55.73 55.75 1x0n s ARG 149 Cb -0.08 -3.44 -0.08 0.00 -0.45 0.00 0.00 34.95 30.90 1x0n s ARG 149 CO 0.28 -0.21 2.37 -3.47 -0.68 0.00 0.00 175.30 173.58 1x0n n ASP 150 N 4.20 2.36 -4.72 0.23 2.03 -1.26 -2.91 116.55 116.48 1x0n n ASP 150 Ca 0.08 -0.16 -0.36 0.00 0.52 0.00 0.00 54.79 54.87 1x0n n ASP 150 Cb 0.48 -1.48 0.08 0.00 -0.72 0.00 0.00 41.12 39.48 1x0n n ASP 150 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1x0n s ILE 151 N 10.39 2.08 -1.05 5.18 2.07 -1.26 -4.91 121.20 133.70 1x0n s ILE 151 Ca 1.04 0.04 -0.19 0.00 -1.41 0.00 0.00 60.65 60.13 1x0n s ILE 151 Cb -0.39 -2.85 0.11 0.00 0.13 0.00 0.00 42.46 39.46 1x0n s ILE 151 CO 0.33 -0.01 1.34 -1.61 -1.91 0.00 0.00 174.94 173.07 1x0n s GLU 152 N -3.60 3.73 0.75 3.50 0.41 -1.26 -4.32 118.70 117.91 1x0n s GLU 152 Ca 0.80 -1.77 -0.16 0.00 -0.41 0.00 0.00 54.97 53.43 1x0n s GLU 152 Cb -0.35 -5.13 -0.02 0.00 -1.78 0.00 0.00 34.13 26.86 1x0n s GLU 152 CO 0.42 -1.94 0.59 0.94 -0.49 0.00 0.00 175.26 174.79 1x0n n GLN 153 N 7.19 0.25 -1.23 1.61 -0.06 -1.26 -4.70 117.38 119.18 1x0n n GLN 153 Ca 0.31 0.13 -0.48 0.00 -2.00 0.00 0.00 57.00 54.96 1x0n n GLN 153 Cb 0.48 -1.90 -0.07 0.00 -4.06 0.00 0.00 30.24 24.69 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 -2.57 0.00 -2.07 1.69 3.14 -1.26 -4.86 118.33 112.40 1x0n n VAL 154 Ca 0.10 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.14 1x0n n VAL 154 Cb 0.50 -0.22 0.02 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 1.30 3.14 -0.49 1.45 0.04 -1.26 -5.03 135.00 134.15 1x0n s PRO 155 Ca 0.74 1.53 0.07 0.00 0.04 0.00 0.00 61.00 63.38 1x0n s PRO 155 Cb -1.05 -1.98 0.19 0.00 0.04 0.00 0.00 34.50 31.69 1x0n s PRO 155 CO 0.54 -1.00 0.68 -1.14 0.04 0.00 0.00 177.00 176.11 1x0n s GLN 156 N -3.60 1.02 -0.30 4.56 0.74 -1.26 -5.13 119.66 115.70 1x0n s GLN 156 Ca 0.71 -1.03 -0.16 0.00 0.05 0.00 0.00 55.36 54.93 1x0n s GLN 156 Cb -0.23 -0.15 0.20 0.00 1.10 0.00 0.00 33.01 33.93 1x0n s GLN 156 CO 0.32 -1.31 1.21 -1.14 -0.55 0.00 0.00 175.29 173.83 1x0n s GLN 157 N 0.96 0.10 0.99 1.67 0.74 -1.26 -5.18 119.66 117.69 1x0n s GLN 157 Ca 0.28 0.18 -0.12 0.00 0.05 0.00 0.00 55.36 55.74 1x0n s GLN 157 Cb -0.01 0.03 0.18 0.00 1.10 0.00 0.00 33.01 34.31 1x0n s GLN 157 CO -0.06 -0.02 1.09 -1.25 -0.55 0.00 0.00 175.29 174.50 1x0n s PRO 158 N 1.15 0.52 0.00 1.67 0.04 -1.26 -5.33 135.00 131.79 1x0n s PRO 158 Ca -0.08 0.55 0.28 0.00 0.04 0.00 0.00 61.00 61.80 1x0n s PRO 158 Cb -0.02 -1.74 1.08 0.00 0.04 0.00 0.00 34.50 33.85 1x0n s PRO 158 CO -0.11 -2.68 1.76 2.41 0.04 0.00 0.00 177.00 178.43