#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 3.47 -0.04 -2.67 5.36 -1.26 -1.88 117.98 120.95 1x0n s PHE 61 Ca 0.00 1.21 -0.03 0.00 -0.96 0.00 0.00 56.93 57.15 1x0n s PHE 61 Cb 0.00 -2.51 0.02 0.00 -0.34 0.00 0.00 43.02 40.19 1x0n s PHE 61 CO 0.00 0.20 0.11 -0.06 -1.46 0.00 0.00 175.22 174.01 1x0n s PHE 62 N -1.81 -0.11 0.00 10.12 0.40 0.16 -4.93 117.98 121.81 1x0n s PHE 62 Ca 0.49 0.32 0.00 0.00 -0.60 0.00 0.00 56.93 57.14 1x0n s PHE 62 Cb -0.12 -0.03 0.00 0.00 0.51 0.00 0.00 43.02 43.38 1x0n s PHE 62 CO 0.19 -0.09 0.00 0.41 0.70 0.00 0.00 175.22 176.43 1x0n n GLY 63 N 3.51 -3.23 3.51 4.36 0.00 -1.26 -1.94 105.19 110.15 1x0n n GLY 63 Ca -0.18 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 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 3.27 -0.08 1.61 1.02 -1.25 -1.83 119.74 122.48 1x0n s LYS 64 Ca 0.00 -0.41 -0.05 0.00 0.02 0.00 0.00 55.97 55.53 1x0n s LYS 64 Cb 0.00 -3.98 0.03 0.00 -0.52 0.00 0.00 37.83 33.36 1x0n s LYS 64 CO 0.00 -1.08 0.19 0.96 -0.92 0.00 0.00 175.35 174.50 1x0n s ILE 65 N 2.91 -0.02 0.46 2.17 -4.36 -1.26 -5.06 121.20 116.04 1x0n s ILE 65 Ca 0.23 0.07 -0.23 0.00 -0.26 0.00 0.00 60.65 60.46 1x0n s ILE 65 Cb -0.14 -0.28 -0.07 0.00 1.25 0.00 0.00 42.46 43.21 1x0n s ILE 65 CO 0.18 0.03 1.17 -2.16 0.24 0.00 0.00 174.94 174.40 1x0n s PRO 66 N 0.58 3.76 0.48 0.37 0.04 -1.26 -4.85 135.00 134.12 1x0n s PRO 66 Ca -0.04 1.78 0.35 0.00 0.04 0.00 0.00 61.00 63.13 1x0n s PRO 66 Cb -0.05 -2.41 1.50 0.00 0.04 0.00 0.00 34.50 33.57 1x0n s PRO 66 CO -0.03 -0.55 1.64 0.07 0.04 0.00 0.00 177.00 178.17 1x0n h ARG 67 N 2.06 0.07 0.75 4.56 0.11 -2.01 0.12 114.38 120.04 1x0n h ARG 67 Ca -0.49 -0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.55 1x0n h ARG 67 Cb 1.25 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 32.32 1x0n h ARG 67 CO 0.60 0.05 -0.36 0.00 0.10 0.00 0.00 179.97 180.36 1x0n h ALA 68 N 1.43 -1.01 -0.73 0.08 0.00 -2.00 -2.30 119.26 114.73 1x0n h ALA 68 Ca 0.80 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 55.65 1x0n h ALA 68 Cb 2.77 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 20.82 1x0n h ALA 68 CO -0.26 -1.02 0.08 0.87 0.00 0.00 0.00 179.25 178.92 1x0n h LYS 69 N -1.10 0.16 0.16 0.00 6.56 -1.11 -1.30 116.57 119.93 1x0n h LYS 69 Ca -0.10 -0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.49 1x0n h LYS 69 Cb 0.79 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.38 1x0n h LYS 69 CO 0.17 0.11 -0.30 0.00 -2.06 0.00 0.00 179.45 177.36 1x0n h ALA 70 N 1.66 -0.55 -1.07 3.86 0.00 -1.39 -1.18 119.26 120.59 1x0n h ALA 70 Ca 0.41 -0.06 0.29 0.00 0.00 0.00 0.00 54.91 55.55 1x0n h ALA 70 Cb 0.71 0.48 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 1x0n h ALA 70 CO -0.59 -0.86 0.67 0.93 0.00 0.00 0.00 179.25 179.40 1x0n h GLU 71 N -0.55 0.37 -0.25 0.00 5.08 -0.66 0.41 114.58 118.97 1x0n h GLU 71 Ca 0.02 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1x0n h GLU 71 Cb 0.56 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1x0n h GLU 71 CO -0.15 0.24 -0.56 0.93 -1.00 0.00 0.00 179.01 178.48 1x0n h GLU 72 N 0.38 0.77 -0.67 2.33 4.39 -0.83 -0.19 114.58 120.77 1x0n h GLU 72 Ca 0.65 -0.50 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1x0n h GLU 72 Cb 1.62 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 30.30 1x0n h GLU 72 CO -0.38 1.12 0.33 0.52 -1.16 0.00 0.00 179.01 179.44 1x0n h MET 73 N 0.59 0.94 0.03 2.33 2.86 0.93 0.84 114.93 123.45 1x0n h MET 73 Ca 0.01 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1x0n h MET 73 Cb 1.15 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1x0n h MET 73 CO 0.12 0.72 -0.16 -0.07 1.06 0.00 0.00 176.91 178.58 1x0n h LEU 74 N 0.94 0.09 -0.72 1.22 3.38 -1.20 -3.31 115.31 115.70 1x0n h LEU 74 Ca 0.23 -0.97 0.06 0.00 0.09 0.00 0.00 57.88 57.28 1x0n h LEU 74 Cb 0.08 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1x0n h LEU 74 CO -0.03 1.06 0.42 0.77 0.09 0.00 0.00 178.44 180.75 1x0n h SER 75 N -0.86 0.64 -0.18 -0.43 4.64 -0.96 -0.09 113.55 116.32 1x0n h SER 75 Ca -0.03 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1x0n h SER 75 Cb 1.11 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1x0n h SER 75 CO 0.03 0.42 0.27 0.07 -0.87 0.00 0.00 176.83 176.75 1x0n h LYS 76 N 0.78 0.00 0.00 4.77 2.10 -0.95 -3.42 116.57 119.85 1x0n h LYS 76 Ca 0.32 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.84 1x0n h LYS 76 Cb 0.16 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 31.56 1x0n h LYS 76 CO -0.17 0.00 -0.04 1.04 -2.00 0.00 0.00 179.45 178.28 1x0n n GLN 77 N -3.49 -2.74 0.00 0.07 1.13 -0.05 -5.01 117.38 107.28 1x0n n GLN 77 Ca 0.02 -0.49 0.00 0.00 -1.94 0.00 0.00 57.00 54.59 1x0n n GLN 77 Cb 0.38 -0.60 0.00 0.00 0.11 0.00 0.00 30.24 30.13 1x0n n GLN 77 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1x0n n ARG 78 N -3.14 2.94 -0.20 -1.09 5.12 -1.26 -5.08 116.66 113.95 1x0n n ARG 78 Ca 0.05 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.94 1x0n n ARG 78 Cb 0.19 -0.87 0.01 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 -1.60 -3.94 -3.94 -1.55 8.25 -1.26 -5.08 115.22 106.09 1x0n n HIS 79 Ca 0.00 -0.09 -0.28 0.00 -0.26 0.00 0.00 57.72 57.09 1x0n n HIS 79 Cb 0.36 -0.07 -0.17 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.36 2.47 0.00 0.41 1.11 -1.26 -4.74 116.67 113.30 1x0n s ASP 80 Ca 0.06 -0.43 0.00 0.00 0.18 0.00 0.00 52.55 52.35 1x0n s ASP 80 Cb -0.00 -0.97 0.00 0.00 1.07 0.00 0.00 42.92 43.02 1x0n s ASP 80 CO 0.04 -0.11 0.00 0.61 1.18 0.00 0.00 175.17 176.89 1x0n n GLY 81 N 4.87 1.78 3.69 0.21 0.00 -1.21 -4.70 105.19 109.83 1x0n n GLY 81 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1x0n n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x0n s ALA 82 N -2.00 3.76 0.08 4.61 0.00 -1.26 -0.43 121.76 126.52 1x0n s ALA 82 Ca 0.00 1.44 0.05 0.00 0.00 0.00 0.00 51.96 53.45 1x0n s ALA 82 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 1x0n s ALA 82 CO 0.00 -1.23 -0.04 -0.59 0.00 0.00 0.00 175.76 173.90 1x0n s PHE 83 N 2.77 2.90 -0.21 0.00 -0.71 -1.15 -2.02 117.98 119.57 1x0n s PHE 83 Ca 0.81 -0.06 -0.06 0.00 -1.04 0.00 0.00 56.93 56.58 1x0n s PHE 83 Cb -0.46 -1.52 0.10 0.00 -1.21 0.00 0.00 43.02 39.93 1x0n s PHE 83 CO 0.36 0.45 0.40 -1.17 -1.34 0.00 0.00 175.22 173.93 1x0n s LEU 84 N -2.12 -0.64 -0.22 -1.99 0.20 -0.17 -4.34 118.68 109.40 1x0n s LEU 84 Ca 0.23 0.79 -0.16 0.00 0.69 0.00 0.00 54.13 55.68 1x0n s LEU 84 Cb -0.11 1.28 -0.04 0.00 -0.43 0.00 0.00 46.19 46.89 1x0n s LEU 84 CO 0.15 -0.25 0.39 -0.63 -0.29 0.00 0.00 176.35 175.72 1x0n s ILE 85 N 2.59 5.19 0.09 6.68 1.01 -0.79 -0.43 121.20 135.54 1x0n s ILE 85 Ca 0.02 0.67 0.06 0.00 0.00 0.00 0.00 60.65 61.41 1x0n s ILE 85 Cb -0.13 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1x0n s ILE 85 CO -0.13 0.23 -0.09 0.00 0.00 0.00 0.00 174.94 174.95 1x0n s ARG 86 N 1.49 2.22 0.07 2.79 3.03 -0.08 -0.67 118.95 127.81 1x0n s ARG 86 Ca 0.18 -0.97 0.06 0.00 2.03 0.00 0.00 55.73 57.03 1x0n s ARG 86 Cb -0.15 -2.35 -0.04 0.00 -1.03 0.00 0.00 34.95 31.38 1x0n s ARG 86 CO 0.08 0.52 -0.10 -2.00 -1.13 0.00 0.00 175.30 172.68 1x0n s GLU 87 N -2.12 2.26 1.30 3.89 2.12 -0.76 -2.03 118.70 123.34 1x0n s GLU 87 Ca 0.21 -0.93 -0.19 0.00 0.36 0.00 0.00 54.97 54.43 1x0n s GLU 87 Cb -0.11 -2.36 0.32 0.00 0.26 0.00 0.00 34.13 32.25 1x0n s GLU 87 CO 0.13 0.54 0.99 -1.12 -0.54 0.00 0.00 175.26 175.27 1x0n s SER 88 N -1.91 -0.02 -0.19 -1.70 0.01 -1.26 -3.91 113.70 104.72 1x0n s SER 88 Ca 0.20 1.01 -0.15 0.00 1.31 0.00 0.00 55.95 58.31 1x0n s SER 88 Cb -0.11 -1.49 -0.08 0.00 0.21 0.00 0.00 66.02 64.54 1x0n s SER 88 CO 0.11 -4.74 -0.20 -0.62 0.41 0.00 0.00 173.24 168.20 1x0n n GLU 89 N -5.23 0.52 -0.09 12.44 1.02 -1.26 -4.58 120.64 123.47 1x0n n GLU 89 Ca 0.09 0.38 0.10 0.00 -0.02 0.00 0.00 57.16 57.71 1x0n n GLU 89 Cb 0.58 -1.58 0.13 0.00 -0.02 0.00 0.00 31.44 30.56 1x0n n GLU 89 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1x0n n SER 90 N -4.47 2.89 -4.18 1.62 7.64 -1.26 -4.74 113.62 111.11 1x0n n SER 90 Ca -0.23 -1.86 -0.39 0.00 1.01 0.00 0.00 58.87 57.40 1x0n n SER 90 Cb 0.54 -0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.57 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 -1.43 4.27 -0.04 -0.43 0.00 -1.26 -5.05 121.76 117.82 1x0n s ALA 91 Ca 0.27 -3.72 -0.30 0.00 0.00 0.00 0.00 51.96 48.22 1x0n s ALA 91 Cb 0.17 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 1x0n s ALA 91 CO 0.25 -2.17 1.48 -1.25 0.00 0.00 0.00 175.76 174.07 1x0n s PRO 92 N -1.02 4.23 0.00 0.00 0.04 -1.26 -2.98 135.00 134.01 1x0n s PRO 92 Ca 0.26 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1x0n s PRO 92 Cb -0.10 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1x0n s PRO 92 CO -0.10 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1x0n n GLY 93 N 3.83 1.16 3.79 0.56 0.00 -1.26 -5.10 105.19 108.17 1x0n n GLY 93 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 5.79 -0.04 1.61 -1.08 -1.16 -4.98 116.67 114.81 1x0n s ASP 94 Ca 0.00 0.22 -0.03 0.00 -0.52 0.00 0.00 52.55 52.21 1x0n s ASP 94 Cb 0.00 -1.71 0.02 0.00 -1.46 0.00 0.00 42.92 39.77 1x0n s ASP 94 CO 0.00 0.31 0.11 -0.36 0.52 0.00 0.00 175.17 175.75 1x0n s PHE 95 N -1.13 -0.12 -0.04 -5.34 0.08 -1.26 -4.14 117.98 106.02 1x0n s PHE 95 Ca 0.21 0.32 -0.02 0.00 0.12 0.00 0.00 56.93 57.56 1x0n s PHE 95 Cb -0.12 -0.00 0.03 0.00 -0.57 0.00 0.00 43.02 42.36 1x0n s PHE 95 CO 0.11 -0.08 0.04 -1.54 -0.10 0.00 0.00 175.22 173.65 1x0n s SER 96 N 0.36 1.09 -0.00 1.36 1.04 -0.86 -1.68 113.70 115.00 1x0n s SER 96 Ca -0.03 0.04 -0.19 0.00 0.48 0.00 0.00 55.95 56.26 1x0n s SER 96 Cb -0.04 -0.19 -0.06 0.00 0.10 0.00 0.00 66.02 65.84 1x0n s SER 96 CO -0.01 -0.22 0.55 -0.22 0.98 0.00 0.00 173.24 174.31 1x0n s LEU 97 N 1.99 4.43 -0.25 2.42 1.98 -1.02 -0.90 118.68 127.34 1x0n s LEU 97 Ca 0.03 1.11 0.01 0.00 -2.89 0.00 0.00 54.13 52.39 1x0n s LEU 97 Cb -0.12 -2.85 0.06 0.00 0.66 0.00 0.00 46.19 43.95 1x0n s LEU 97 CO -0.03 0.15 -0.04 -0.55 -1.89 0.00 0.00 176.35 173.99 1x0n s SER 98 N -0.38 3.92 0.10 3.68 0.15 0.42 -0.67 113.70 120.93 1x0n s SER 98 Ca 0.29 -1.26 0.06 0.00 0.70 0.00 0.00 55.95 55.73 1x0n s SER 98 Cb -0.18 -1.19 -0.04 0.00 -1.71 0.00 0.00 66.02 62.90 1x0n s SER 98 CO 0.16 -0.25 -0.02 -0.69 1.20 0.00 0.00 173.24 173.64 1x0n s VAL 99 N 1.37 3.86 -0.26 4.45 1.01 -0.07 -1.00 120.40 129.76 1x0n s VAL 99 Ca -0.04 -1.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.74 1x0n s VAL 99 Cb -0.19 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1x0n s VAL 99 CO -0.07 0.10 0.21 -0.75 0.00 0.00 0.00 175.10 174.58 1x0n s LYS 100 N -2.35 4.01 -0.38 2.72 2.20 -0.85 -0.40 119.74 124.69 1x0n s LYS 100 Ca 0.25 -0.24 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 1x0n s LYS 100 Cb -0.11 -3.61 0.11 0.00 -1.51 0.00 0.00 37.83 32.71 1x0n s LYS 100 CO 0.17 -0.09 0.12 -0.06 -0.36 0.00 0.00 175.35 175.13 1x0n s PHE 101 N 1.51 3.11 0.00 4.03 0.08 0.05 -3.36 117.98 123.41 1x0n s PHE 101 Ca 0.09 -2.75 0.00 0.00 0.12 0.00 0.00 56.93 54.39 1x0n s PHE 101 Cb -0.15 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.71 1x0n s PHE 101 CO 0.08 -0.88 0.00 0.41 -0.10 0.00 0.00 175.22 174.73 1x0n n GLY 102 N 4.08 3.27 1.94 4.36 0.00 -1.26 -2.08 105.19 115.50 1x0n n GLY 102 Ca 0.03 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 8.20 5.46 -3.79 1.61 4.13 -1.26 -4.89 115.26 124.71 1x0n n ASN 103 Ca 0.00 -3.04 -0.14 0.00 1.68 0.00 0.00 54.58 53.09 1x0n n ASN 103 Cb 0.00 -0.71 -0.15 0.00 -1.54 0.00 0.00 39.78 37.39 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 -0.88 -0.03 -0.48 6.41 1.01 -0.88 -5.12 116.67 116.70 1x0n s ASP 104 Ca 0.55 0.14 -0.19 0.00 0.71 0.00 0.00 52.55 53.77 1x0n s ASP 104 Cb 0.43 0.07 0.05 0.00 1.01 0.00 0.00 42.92 44.48 1x0n s ASP 104 CO 0.15 -0.09 0.57 -0.69 0.21 0.00 0.00 175.17 175.32 1x0n s VAL 105 N 0.70 4.95 0.65 -1.27 1.01 -1.26 -0.77 120.40 124.41 1x0n s VAL 105 Ca -0.06 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1x0n s VAL 105 Cb -0.08 -4.22 0.08 0.00 0.00 0.00 0.00 36.38 32.16 1x0n s VAL 105 CO -0.03 -0.68 0.91 -1.10 0.00 0.00 0.00 175.10 174.20 1x0n s GLN 106 N 2.46 2.08 0.20 2.72 -0.21 0.47 -4.93 119.66 122.44 1x0n s GLN 106 Ca 0.14 -0.86 -0.20 0.00 0.02 0.00 0.00 55.36 54.47 1x0n s GLN 106 Cb -0.19 -2.36 0.04 0.00 1.00 0.00 0.00 33.01 31.50 1x0n s GLN 106 CO 0.13 -1.14 0.59 -3.38 -2.12 0.00 0.00 175.29 169.36 1x0n s HIS 107 N -3.02 -0.26 -0.14 0.91 -3.43 -1.26 -0.89 115.29 107.20 1x0n s HIS 107 Ca 0.62 -0.07 -0.04 0.00 -0.80 0.00 0.00 55.06 54.77 1x0n s HIS 107 Cb -0.08 0.51 0.06 0.00 -1.43 0.00 0.00 32.58 31.65 1x0n s HIS 107 CO 0.42 -0.97 0.16 -0.06 -2.00 0.00 0.00 174.74 172.29 1x0n s PHE 108 N -3.85 -0.12 0.05 0.38 0.40 0.15 -4.97 117.98 110.03 1x0n s PHE 108 Ca 0.07 0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 56.36 1x0n s PHE 108 Cb -0.02 -0.40 -0.09 0.00 0.51 0.00 0.00 43.02 43.03 1x0n s PHE 108 CO -0.04 -0.43 1.80 0.15 0.70 0.00 0.00 175.22 177.41 1x0n s LYS 109 N 2.27 4.16 -0.04 0.44 1.02 -1.26 -2.43 119.74 123.89 1x0n s LYS 109 Ca 0.04 2.47 -0.20 0.00 0.02 0.00 0.00 55.97 58.30 1x0n s LYS 109 Cb -0.14 -3.85 -0.05 0.00 -0.52 0.00 0.00 37.83 33.27 1x0n s LYS 109 CO -0.08 -0.86 0.57 0.08 -0.92 0.00 0.00 175.35 174.14 1x0n s VAL 110 N 3.50 5.01 0.56 3.17 1.01 -0.68 -4.91 120.40 128.06 1x0n s VAL 110 Ca 0.80 1.18 0.05 0.00 0.00 0.00 0.00 61.98 64.02 1x0n s VAL 110 Cb -0.41 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.11 1x0n s VAL 110 CO 0.36 0.38 0.43 -0.76 0.00 0.00 0.00 175.10 175.51 1x0n s LEU 111 N 0.12 2.65 0.05 3.92 2.01 -0.99 -4.35 118.68 122.09 1x0n s LEU 111 Ca 0.30 -1.27 -0.27 0.00 0.01 0.00 0.00 54.13 52.90 1x0n s LEU 111 Cb -0.17 -1.14 0.08 0.00 0.01 0.00 0.00 46.19 44.97 1x0n s LEU 111 CO 0.15 -1.17 0.70 0.00 1.01 0.00 0.00 176.35 177.04 1x0n s ARG 112 N -4.33 1.09 -0.07 1.70 1.70 -1.26 -1.87 118.95 115.92 1x0n s ARG 112 Ca 0.34 -0.18 -0.18 0.00 -0.47 0.00 0.00 55.73 55.24 1x0n s ARG 112 Cb -0.03 0.51 0.04 0.00 -0.57 0.00 0.00 34.95 34.90 1x0n s ARG 112 CO 0.21 -0.43 0.42 -0.51 -1.08 0.00 0.00 175.30 173.92 1x0n s ASP 113 N -2.13 -0.37 0.00 -2.89 1.01 -0.34 -4.96 116.67 107.00 1x0n s ASP 113 Ca -0.02 0.46 0.00 0.00 0.71 0.00 0.00 52.55 53.70 1x0n s ASP 113 Cb -0.01 0.54 0.00 0.00 1.01 0.00 0.00 42.92 44.46 1x0n s ASP 113 CO -0.05 -0.39 0.00 0.61 0.21 0.00 0.00 175.17 175.56 1x0n n GLY 114 N 1.68 2.41 1.05 0.21 0.00 -1.26 -4.00 105.19 105.29 1x0n n GLY 114 Ca -0.19 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -5.00 120.51 118.86 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 -1.32 0.00 3.65 0.00 0.00 -1.26 -5.07 105.19 101.19 1x0n n GLY 116 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.75 1.12 -3.88 1.61 5.02 -1.26 -4.80 118.16 115.23 1x0n n LYS 117 Ca 0.00 0.41 -0.23 0.00 -2.02 0.00 0.00 58.31 56.47 1x0n n LYS 117 Cb 0.06 -2.07 -0.05 0.00 -0.02 0.00 0.00 35.03 32.95 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 1.94 2.67 0.10 2.13 1.51 -0.75 -1.20 117.35 123.75 1x0n s TYR 118 Ca 0.91 -0.52 -0.25 0.00 -1.01 0.00 0.00 57.07 56.20 1x0n s TYR 118 Cb -1.02 -2.02 0.09 0.00 -0.11 0.00 0.00 41.96 38.90 1x0n s TYR 118 CO 0.56 0.07 1.13 -0.59 -1.11 0.00 0.00 175.55 175.61 1x0n s PHE 119 N -2.53 0.02 0.00 2.71 -0.12 -0.78 -1.35 117.98 115.93 1x0n s PHE 119 Ca 0.44 -0.29 0.00 0.00 -0.05 0.00 0.00 56.93 57.03 1x0n s PHE 119 Cb 0.00 0.63 0.00 0.00 -0.63 0.00 0.00 43.02 43.02 1x0n s PHE 119 CO 0.25 -0.64 0.00 1.28 -0.05 0.00 0.00 175.22 176.06 1x0n n LEU 120 N -0.69 0.00 -0.00 -1.99 4.32 -1.07 -2.34 117.00 115.22 1x0n n LEU 120 Ca -0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.96 1x0n n LEU 120 Cb 0.60 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1x0n n LEU 120 CO 0.17 -0.43 -0.06 0.79 -1.22 0.00 0.00 177.39 176.64 1x0n n TRP 121 N -2.29 0.00 -0.29 -1.77 7.02 -1.26 -4.93 117.44 113.92 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 -0.04 0.00 0.00 -2.42 0.00 0.00 31.31 28.85 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 -2.80 0.00 -3.88 -0.99 0.24 -1.26 -5.05 118.33 104.59 1x0n n VAL 122 Ca -0.01 -0.25 -0.37 0.00 -2.04 0.00 0.00 64.34 61.67 1x0n n VAL 122 Cb 0.05 1.29 -0.07 0.00 -1.47 0.00 0.00 33.84 33.64 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 -0.21 5.43 0.06 3.34 0.11 -1.26 -5.10 120.40 122.76 1x0n s VAL 123 Ca 0.00 0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 59.20 1x0n s VAL 123 Cb 0.00 -3.38 -0.03 0.00 -1.53 0.00 0.00 36.38 31.44 1x0n s VAL 123 CO 0.00 0.58 0.04 -1.59 -3.33 0.00 0.00 175.10 170.80 1x0n s LYS 124 N -0.75 0.65 0.33 1.54 0.00 -1.26 -2.61 119.74 117.64 1x0n s LYS 124 Ca 0.13 -1.06 -0.10 0.00 0.00 0.00 0.00 55.97 54.95 1x0n s LYS 124 Cb -0.12 0.24 0.02 0.00 0.00 0.00 0.00 37.83 37.97 1x0n s LYS 124 CO 0.03 -0.15 0.59 -0.06 0.00 0.00 0.00 175.35 175.75 1x0n s PHE 125 N -3.59 0.56 -0.12 1.78 0.08 -0.46 -4.99 117.98 111.25 1x0n s PHE 125 Ca 0.04 -0.97 -0.21 0.00 0.12 0.00 0.00 56.93 55.90 1x0n s PHE 125 Cb 0.05 0.30 -0.26 0.00 -0.57 0.00 0.00 43.02 42.54 1x0n s PHE 125 CO -0.09 -1.25 0.60 -0.91 -0.10 0.00 0.00 175.22 173.48 1x0n h ASN 126 N 2.10 0.24 -2.61 1.36 2.35 -1.91 -1.99 115.58 115.12 1x0n h ASN 126 Ca -0.28 -0.84 -0.60 0.00 -0.55 0.00 0.00 56.30 54.03 1x0n h ASN 126 Cb 1.25 -0.08 -0.12 0.00 0.05 0.00 0.00 38.32 39.42 1x0n h ASN 126 CO 0.38 1.41 -0.70 -0.55 -1.65 0.00 0.00 177.43 176.32 1x0n s SER 127 N -6.80 4.30 0.48 5.81 0.15 -1.26 -4.18 113.70 112.20 1x0n s SER 127 Ca -0.20 -0.65 0.21 0.00 0.70 0.00 0.00 55.95 56.01 1x0n s SER 127 Cb 0.02 -0.73 1.20 0.00 -1.71 0.00 0.00 66.02 64.81 1x0n s SER 127 CO 0.73 0.06 2.01 -0.07 1.20 0.00 0.00 173.24 177.16 1x0n h LEU 128 N 2.44 0.00 -1.51 3.45 3.38 -1.92 -2.43 115.31 118.72 1x0n h LEU 128 Ca -0.45 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.55 1x0n h LEU 128 Cb 1.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1x0n h LEU 128 CO 0.57 0.18 0.37 -0.55 0.09 0.00 0.00 178.44 179.10 1x0n h ASN 129 N 0.00 0.56 0.48 -0.43 -1.07 -2.00 -0.49 115.58 112.63 1x0n h ASN 129 Ca -0.00 -0.01 -0.06 0.00 0.07 0.00 0.00 56.30 56.30 1x0n h ASN 129 Cb 0.38 -0.13 -0.01 0.00 -2.07 0.00 0.00 38.32 36.49 1x0n h ASN 129 CO 0.02 0.39 -0.30 -0.33 0.07 0.00 0.00 177.43 177.28 1x0n h GLU 130 N 0.65 0.00 0.17 4.14 4.39 -1.85 -2.27 114.58 119.80 1x0n h GLU 130 Ca 0.22 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1x0n h GLU 130 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1x0n h GLU 130 CO -0.06 0.30 -0.08 -0.07 -1.16 0.00 0.00 179.01 177.94 1x0n h LEU 131 N 0.00 -0.19 -1.36 1.33 4.07 -1.19 -0.97 115.31 117.00 1x0n h LEU 131 Ca -0.00 -0.31 0.10 0.00 0.08 0.00 0.00 57.88 57.74 1x0n h LEU 131 Cb 0.62 0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.35 1x0n h LEU 131 CO 0.04 0.38 0.51 -0.37 -1.08 0.00 0.00 178.44 177.92 1x0n h VAL 132 N -0.92 0.95 0.26 1.22 -1.51 -1.44 -1.35 116.25 113.46 1x0n h VAL 132 Ca -0.02 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 65.19 1x0n h VAL 132 Cb 0.49 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 1x0n h VAL 132 CO 0.04 0.13 -0.13 -0.78 -1.23 0.00 0.00 177.57 175.60 1x0n h ASP 133 N 0.71 -0.30 -0.83 4.19 1.82 -1.47 -0.54 116.42 120.01 1x0n h ASP 133 Ca 0.36 -0.18 0.20 0.00 -0.39 0.00 0.00 57.03 57.02 1x0n h ASP 133 Cb 0.45 0.08 -0.13 0.00 0.68 0.00 0.00 39.33 40.41 1x0n h ASP 133 CO -0.14 0.20 0.24 0.22 -1.61 0.00 0.00 179.24 178.15 1x0n h TYR 134 N -0.98 0.37 0.00 0.28 3.20 -0.93 0.60 116.97 119.50 1x0n h TYR 134 Ca -0.04 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 1x0n h TYR 134 Cb 0.46 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1x0n h TYR 134 CO 0.04 -0.14 -0.38 0.45 -1.64 0.00 0.00 178.16 176.50 1x0n h HIS 135 N 0.26 0.00 0.00 -3.82 3.86 -1.32 -0.09 115.15 114.04 1x0n h HIS 135 Ca 0.50 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.68 1x0n h HIS 135 Cb 0.95 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.42 1x0n h HIS 135 CO -0.25 0.38 -0.18 -0.09 0.86 0.00 0.00 177.93 178.65 1x0n h ARG 136 N 0.00 0.00 0.00 2.45 2.43 0.19 -3.11 114.38 116.34 1x0n h ARG 136 Ca -0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1x0n h ARG 136 Cb 1.15 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1x0n h ARG 136 CO 0.05 0.18 -1.70 0.45 -1.51 0.00 0.00 179.97 177.44 1x0n n SER 137 N -3.64 2.13 -4.53 -3.80 2.88 -0.72 -4.35 113.62 101.59 1x0n n SER 137 Ca -0.01 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.21 1x0n n SER 137 Cb 0.31 1.14 -0.11 0.00 -0.75 0.00 0.00 64.21 64.79 1x0n n SER 137 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1x0n s THR 138 N -2.54 3.25 0.99 2.46 2.01 -0.05 -5.08 115.64 116.68 1x0n s THR 138 Ca -0.05 -0.99 -0.17 0.00 0.31 0.00 0.00 61.69 60.79 1x0n s THR 138 Cb 0.05 -2.40 -0.12 0.00 0.01 0.00 0.00 72.50 70.04 1x0n s THR 138 CO 0.50 0.35 -0.64 -1.54 -0.69 0.00 0.00 174.62 172.60 1x0n n SER 139 N 1.49 -5.33 0.00 3.53 3.41 -1.26 -4.31 113.62 111.14 1x0n n SER 139 Ca -0.15 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1x0n n SER 139 Cb 0.52 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1x0n n SER 139 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1x0n n VAL 140 N -2.71 0.00 -3.07 -3.33 3.14 -1.25 -4.81 118.33 106.30 1x0n n VAL 140 Ca -0.01 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 1x0n n VAL 140 Cb 0.56 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.28 1x0n n VAL 140 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1x0n s SER 141 N -2.09 6.83 -0.33 6.55 1.04 -1.26 -4.98 113.70 119.47 1x0n s SER 141 Ca 0.00 1.37 0.10 0.00 0.48 0.00 0.00 55.95 57.90 1x0n s SER 141 Cb 0.00 -2.41 0.70 0.00 0.10 0.00 0.00 66.02 64.41 1x0n s SER 141 CO 0.00 -0.22 1.77 0.54 0.98 0.00 0.00 173.24 176.31 1x0n n ARG 142 N -0.33 3.32 0.00 4.02 1.74 -1.26 -4.45 116.66 119.70 1x0n n ARG 142 Ca 0.04 -3.08 0.00 0.00 -0.77 0.00 0.00 57.85 54.04 1x0n n ARG 142 Cb 0.53 -2.15 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 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 -0.40 0.13 -3.86 0.55 2.85 -1.26 -5.13 115.26 108.14 1x0n n ASN 143 Ca 0.41 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.64 1x0n n ASN 143 Cb 1.36 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 42.32 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 -2.69 0.72 -3.51 1.20 6.02 -1.26 -5.10 117.38 112.76 1x0n n GLN 144 Ca 0.00 -3.13 -0.41 0.00 -0.01 0.00 0.00 57.00 53.44 1x0n n GLN 144 Cb 0.24 1.40 -0.05 0.00 1.02 0.00 0.00 30.24 32.85 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 -3.46 3.30 0.08 -1.09 -0.21 -1.26 -4.48 119.66 112.54 1x0n s GLN 145 Ca 0.12 -2.75 0.05 0.00 0.02 0.00 0.00 55.36 52.80 1x0n s GLN 145 Cb 0.01 -4.14 -0.03 0.00 1.00 0.00 0.00 33.01 29.84 1x0n s GLN 145 CO 0.09 -1.24 -0.13 0.42 -2.12 0.00 0.00 175.29 172.30 1x0n s ILE 146 N -0.39 1.08 0.40 1.08 1.01 -1.26 -5.10 121.20 118.02 1x0n s ILE 146 Ca 0.21 -1.42 0.07 0.00 0.00 0.00 0.00 60.65 59.51 1x0n s ILE 146 Cb -0.13 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 1x0n s ILE 146 CO -0.08 -0.33 0.15 -0.36 0.00 0.00 0.00 174.94 174.32 1x0n s PHE 147 N -1.65 2.60 -0.50 3.97 0.08 -1.26 -3.75 117.98 117.47 1x0n s PHE 147 Ca 0.01 -0.57 -0.29 0.00 0.12 0.00 0.00 56.93 56.20 1x0n s PHE 147 Cb -0.08 -1.88 0.03 0.00 -0.57 0.00 0.00 43.02 40.52 1x0n s PHE 147 CO 0.02 0.25 1.18 -0.51 -0.10 0.00 0.00 175.22 176.06 1x0n s LEU 148 N -3.86 3.58 0.05 -0.37 1.43 -1.23 -4.64 118.68 113.63 1x0n s LEU 148 Ca 0.40 0.40 -0.27 0.00 -1.03 0.00 0.00 54.13 53.62 1x0n s LEU 148 Cb 0.04 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 1x0n s LEU 148 CO 0.22 -1.34 0.87 -0.13 0.23 0.00 0.00 176.35 176.20 1x0n s ARG 149 N 4.65 4.57 -0.18 1.70 1.81 0.43 -4.63 118.95 127.30 1x0n s ARG 149 Ca 0.48 1.25 -0.28 0.00 -1.72 0.00 0.00 55.73 55.45 1x0n s ARG 149 Cb -0.08 -3.40 -0.06 0.00 -0.45 0.00 0.00 34.95 30.97 1x0n s ARG 149 CO 0.30 0.17 2.18 0.34 -0.68 0.00 0.00 175.30 177.61 1x0n s ASP 150 N 0.27 5.60 0.39 0.23 -1.08 -1.26 -2.95 116.67 117.87 1x0n s ASP 150 Ca 0.44 2.00 -0.25 0.00 -0.52 0.00 0.00 52.55 54.22 1x0n s ASP 150 Cb -0.21 -2.51 -0.09 0.00 -1.46 0.00 0.00 42.92 38.65 1x0n s ASP 150 CO 0.26 -1.83 1.15 -0.51 0.52 0.00 0.00 175.17 174.76 1x0n s ILE 151 N 7.75 3.23 -1.23 4.11 2.07 -1.26 -4.91 121.20 130.96 1x0n s ILE 151 Ca 0.99 1.04 -0.20 0.00 -1.41 0.00 0.00 60.65 61.07 1x0n s ILE 151 Cb -0.34 -3.58 -0.01 0.00 0.13 0.00 0.00 42.46 38.65 1x0n s ILE 151 CO 0.36 0.10 1.86 1.21 -1.91 0.00 0.00 174.94 176.56 1x0n n GLU 152 N 0.14 2.43 -0.92 3.50 2.13 -1.26 -4.69 120.64 121.97 1x0n n GLU 152 Ca 0.04 -2.83 -0.36 0.00 0.66 0.00 0.00 57.16 54.67 1x0n n GLU 152 Cb 0.47 -3.55 0.07 0.00 0.27 0.00 0.00 31.44 28.70 1x0n n GLU 152 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1x0n n GLN 153 N 8.13 -0.23 -1.57 5.31 0.00 -1.26 -4.73 117.38 123.03 1x0n n GLN 153 Ca 0.48 -0.06 -0.49 0.00 -0.00 0.00 0.00 57.00 56.93 1x0n n GLN 153 Cb 0.45 -1.25 -0.04 0.00 0.00 0.00 0.00 30.24 29.41 1x0n n GLN 153 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1x0n n VAL 154 N -3.15 1.00 -2.26 1.69 3.14 -1.26 -4.91 118.33 112.58 1x0n n VAL 154 Ca 0.00 -0.25 -0.36 0.00 -2.96 0.00 0.00 64.34 60.77 1x0n n VAL 154 Cb 0.61 -0.77 -0.00 0.00 -1.06 0.00 0.00 33.84 32.62 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 -0.49 3.47 -0.37 1.45 0.04 -1.26 -5.03 135.00 132.82 1x0n s PRO 155 Ca 0.72 1.65 -0.03 0.00 0.04 0.00 0.00 61.00 63.39 1x0n s PRO 155 Cb -0.86 -2.11 0.08 0.00 0.04 0.00 0.00 34.50 31.65 1x0n s PRO 155 CO 0.53 -0.76 0.13 -1.14 0.04 0.00 0.00 177.00 175.80 1x0n s GLN 156 N -3.13 2.20 -0.81 4.56 2.00 -1.26 -5.03 119.66 118.20 1x0n s GLN 156 Ca 0.70 -1.57 0.01 0.00 -2.00 0.00 0.00 55.36 52.50 1x0n s GLN 156 Cb -0.25 -3.44 0.20 0.00 0.80 0.00 0.00 33.01 30.31 1x0n s GLN 156 CO 0.29 -0.88 0.66 -1.14 -0.50 0.00 0.00 175.29 173.72 1x0n s GLN 157 N 1.21 2.95 0.79 1.67 2.00 -1.26 -5.08 119.66 121.93 1x0n s GLN 157 Ca 0.03 -3.26 -0.11 0.00 -2.00 0.00 0.00 55.36 50.02 1x0n s GLN 157 Cb -0.21 -3.76 0.06 0.00 0.80 0.00 0.00 33.01 29.90 1x0n s GLN 157 CO -0.02 -1.26 1.09 -1.25 -0.50 0.00 0.00 175.29 173.34 1x0n s PRO 158 N -1.31 2.15 0.00 1.67 0.04 -1.26 -5.36 135.00 130.92 1x0n s PRO 158 Ca 0.26 1.14 0.31 0.00 0.04 0.00 0.00 61.00 62.75 1x0n s PRO 158 Cb -0.07 -1.89 1.67 0.00 0.04 0.00 0.00 34.50 34.25 1x0n s PRO 158 CO -0.13 -1.71 2.09 0.25 0.04 0.00 0.00 177.00 177.54