#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 3.62 -0.08 -2.67 5.36 -1.26 -1.94 117.98 121.02 1x0n s PHE 61 Ca 0.00 1.02 0.02 0.00 -0.96 0.00 0.00 56.93 57.01 1x0n s PHE 61 Cb 0.00 -2.33 0.02 0.00 -0.34 0.00 0.00 43.02 40.36 1x0n s PHE 61 CO 0.00 0.47 -0.12 -0.06 -1.46 0.00 0.00 175.22 174.05 1x0n s PHE 62 N -1.41 1.51 0.00 10.12 0.40 -0.12 -4.95 117.98 123.53 1x0n s PHE 62 Ca 0.36 -0.61 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 1x0n s PHE 62 Cb -0.15 -1.13 0.00 0.00 0.51 0.00 0.00 43.02 42.25 1x0n s PHE 62 CO 0.19 -0.33 0.00 0.41 0.70 0.00 0.00 175.22 176.18 1x0n n GLY 63 N 4.03 -0.22 2.80 4.36 0.00 -1.26 -2.40 105.19 112.50 1x0n n GLY 63 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1x0n n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x0n s LYS 64 N 0.00 0.98 0.02 1.61 -2.85 -1.25 -2.13 119.74 116.13 1x0n s LYS 64 Ca 0.00 -0.68 0.01 0.00 -1.00 0.00 0.00 55.97 54.30 1x0n s LYS 64 Cb 0.00 -2.27 -0.01 0.00 -2.06 0.00 0.00 37.83 33.49 1x0n s LYS 64 CO 0.00 -0.66 -0.06 0.96 0.10 0.00 0.00 175.35 175.69 1x0n s ILE 65 N 1.68 0.39 0.22 3.79 -4.36 -1.26 -5.00 121.20 116.65 1x0n s ILE 65 Ca -0.01 -0.68 -0.30 0.00 -0.26 0.00 0.00 60.65 59.40 1x0n s ILE 65 Cb -0.18 -0.42 -0.09 0.00 1.25 0.00 0.00 42.46 43.02 1x0n s ILE 65 CO -0.09 -0.20 1.29 -2.16 0.24 0.00 0.00 174.94 174.02 1x0n s PRO 66 N -0.95 4.41 0.27 0.37 0.04 -1.26 -4.83 135.00 133.05 1x0n s PRO 66 Ca -0.06 2.05 0.17 0.00 0.04 0.00 0.00 61.00 63.19 1x0n s PRO 66 Cb -0.06 -3.18 0.94 0.00 0.04 0.00 0.00 34.50 32.23 1x0n s PRO 66 CO -0.00 -0.21 1.06 -2.13 0.04 0.00 0.00 177.00 175.76 1x0n n ARG 67 N 2.35 -0.03 0.21 4.56 0.63 -1.26 0.12 116.66 123.23 1x0n n ARG 67 Ca 0.05 0.90 -0.15 0.00 -0.92 0.00 0.00 57.85 57.73 1x0n n ARG 67 Cb 0.43 -1.67 -0.07 0.00 0.45 0.00 0.00 32.46 31.60 1x0n n ARG 67 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x0n h ALA 68 N 1.25 -0.68 -0.88 5.13 0.00 -2.01 -2.35 119.26 119.72 1x0n h ALA 68 Ca 0.58 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.50 1x0n h ALA 68 Cb 1.65 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 19.82 1x0n h ALA 68 CO -0.45 -0.92 0.51 -0.22 0.00 0.00 0.00 179.25 178.17 1x0n h LYS 69 N -0.67 0.77 0.23 0.00 1.63 0.64 -2.18 116.57 116.99 1x0n h LYS 69 Ca -0.02 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1x0n h LYS 69 Cb 0.61 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.04 1x0n h LYS 69 CO -0.06 0.51 -0.43 0.00 -3.45 0.00 0.00 179.45 176.02 1x0n h ALA 70 N 1.51 -0.99 -0.80 5.00 0.00 -1.11 0.72 119.26 123.59 1x0n h ALA 70 Ca 0.44 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.44 1x0n h ALA 70 Cb 0.49 0.75 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1x0n h ALA 70 CO -0.29 -1.06 0.55 0.93 0.00 0.00 0.00 179.25 179.38 1x0n h GLU 71 N -0.70 0.19 -0.24 0.00 4.39 -1.11 -0.23 114.58 116.87 1x0n h GLU 71 Ca -0.02 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1x0n h GLU 71 Cb 0.66 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1x0n h GLU 71 CO -0.16 0.13 -0.14 0.93 -1.16 0.00 0.00 179.01 178.61 1x0n h GLU 72 N 0.20 0.51 -0.77 2.33 4.39 -0.61 0.11 114.58 120.74 1x0n h GLU 72 Ca 0.39 -0.23 0.08 0.00 0.34 0.00 0.00 59.36 59.94 1x0n h GLU 72 Cb 1.25 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.84 1x0n h GLU 72 CO -0.08 0.79 0.50 0.52 -1.16 0.00 0.00 179.01 179.59 1x0n h MET 73 N 0.23 0.74 0.08 2.33 2.86 0.93 0.10 114.93 122.21 1x0n h MET 73 Ca 0.05 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1x0n h MET 73 Cb 0.65 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 32.15 1x0n h MET 73 CO 0.04 0.49 -0.56 -0.07 1.06 0.00 0.00 176.91 177.88 1x0n h LEU 74 N 0.77 0.28 -0.42 1.22 3.38 -1.35 -3.32 115.31 115.85 1x0n h LEU 74 Ca 0.34 -0.95 0.05 0.00 0.09 0.00 0.00 57.88 57.41 1x0n h LEU 74 Cb 0.34 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1x0n h LEU 74 CO -0.12 1.26 0.15 -1.28 0.09 0.00 0.00 178.44 178.54 1x0n h SER 75 N -0.62 0.16 -0.11 -0.43 0.87 -0.44 0.22 113.55 113.19 1x0n h SER 75 Ca -0.10 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.54 1x0n h SER 75 Cb 1.40 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.39 1x0n h SER 75 CO 0.08 0.12 0.32 0.07 -0.53 0.00 0.00 176.83 176.90 1x0n h LYS 76 N 0.31 0.00 -7.30 2.24 2.10 -0.93 -3.42 116.57 109.57 1x0n h LYS 76 Ca 0.20 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 58.40 1x0n h LYS 76 Cb 0.19 0.00 0.17 0.00 -0.90 0.00 0.00 32.23 31.69 1x0n h LYS 76 CO -0.20 0.00 0.14 -0.65 -2.00 0.00 0.00 179.45 176.74 1x0n s GLN 77 N -4.28 0.03 -0.11 0.07 -1.52 0.06 -5.00 119.66 108.91 1x0n s GLN 77 Ca -0.04 0.60 0.06 0.00 -1.95 0.00 0.00 55.36 54.03 1x0n s GLN 77 Cb 0.11 -1.68 -0.11 0.00 -0.22 0.00 0.00 33.01 31.10 1x0n s GLN 77 CO 0.37 -3.02 -0.02 0.54 -0.25 0.00 0.00 175.29 172.91 1x0n n ARG 78 N -4.39 1.60 -0.58 2.91 5.12 -1.26 -5.03 116.66 115.03 1x0n n ARG 78 Ca 0.05 0.02 -0.18 0.00 -1.93 0.00 0.00 57.85 55.81 1x0n n ARG 78 Cb 0.56 -1.27 0.15 0.00 -1.16 0.00 0.00 32.46 30.75 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 -2.56 -3.49 -3.91 -1.55 8.25 -1.26 -5.05 115.22 105.64 1x0n n HIS 79 Ca -0.19 -0.58 -0.30 0.00 -0.26 0.00 0.00 57.72 56.38 1x0n n HIS 79 Cb 0.81 -0.69 -0.16 0.00 1.12 0.00 0.00 29.99 31.07 1x0n n HIS 79 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1x0n s ASP 80 N -3.22 3.69 0.00 0.41 1.11 -1.26 -4.72 116.67 112.67 1x0n s ASP 80 Ca 0.42 -1.11 0.00 0.00 0.18 0.00 0.00 52.55 52.05 1x0n s ASP 80 Cb -0.04 -1.10 0.00 0.00 1.07 0.00 0.00 42.92 42.85 1x0n s ASP 80 CO 0.33 -0.24 0.00 0.61 1.18 0.00 0.00 175.17 177.05 1x0n n GLY 81 N 4.72 1.46 3.73 0.21 0.00 -1.25 -4.75 105.19 109.31 1x0n n GLY 81 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 2.81 -2.44 4.61 0.00 -1.26 -0.49 120.51 123.75 1x0n n ALA 82 Ca 0.00 0.39 -0.25 0.00 0.00 0.00 0.00 53.44 53.58 1x0n n ALA 82 Cb 0.00 -2.52 -0.12 0.00 0.00 0.00 0.00 19.45 16.82 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 0.91 2.12 -0.26 0.00 -0.12 -1.06 -1.21 117.98 118.35 1x0n s PHE 83 Ca 0.72 -0.40 -0.09 0.00 -0.05 0.00 0.00 56.93 57.12 1x0n s PHE 83 Cb -0.50 -1.05 0.11 0.00 -0.63 0.00 0.00 43.02 40.95 1x0n s PHE 83 CO 0.36 0.44 0.56 -1.17 -0.05 0.00 0.00 175.22 175.36 1x0n s LEU 84 N -2.66 -0.94 -0.33 -1.99 0.20 -0.33 -4.06 118.68 108.56 1x0n s LEU 84 Ca 0.19 1.36 -0.17 0.00 0.69 0.00 0.00 54.13 56.19 1x0n s LEU 84 Cb -0.07 1.95 -0.01 0.00 -0.43 0.00 0.00 46.19 47.63 1x0n s LEU 84 CO 0.09 -0.22 0.45 -0.63 -0.29 0.00 0.00 176.35 175.75 1x0n s ILE 85 N 2.72 5.08 0.13 6.68 1.01 -0.82 -0.82 121.20 135.18 1x0n s ILE 85 Ca -0.05 0.31 0.05 0.00 0.00 0.00 0.00 60.65 60.97 1x0n s ILE 85 Cb -0.12 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1x0n s ILE 85 CO -0.17 -0.12 0.03 0.00 0.00 0.00 0.00 174.94 174.68 1x0n s ARG 86 N 2.24 2.60 0.07 2.79 3.03 -0.57 -0.95 118.95 128.16 1x0n s ARG 86 Ca 0.16 -0.91 0.09 0.00 2.03 0.00 0.00 55.73 57.11 1x0n s ARG 86 Cb -0.16 -2.52 -0.03 0.00 -1.03 0.00 0.00 34.95 31.21 1x0n s ARG 86 CO 0.12 0.51 -0.24 -2.00 -1.13 0.00 0.00 175.30 172.56 1x0n s GLU 87 N -2.63 1.52 1.03 3.89 2.12 -0.90 -2.17 118.70 121.55 1x0n s GLU 87 Ca 0.27 -1.10 -0.17 0.00 0.36 0.00 0.00 54.97 54.33 1x0n s GLU 87 Cb -0.11 -1.75 0.10 0.00 0.26 0.00 0.00 34.13 32.63 1x0n s GLU 87 CO 0.20 0.44 -0.04 0.43 -0.54 0.00 0.00 175.26 175.74 1x0n n SER 88 N 1.57 -2.75 -0.09 -1.70 7.64 -1.20 -3.82 113.62 113.26 1x0n n SER 88 Ca -0.17 -0.24 -0.23 0.00 1.01 0.00 0.00 58.87 59.23 1x0n n SER 88 Cb 0.53 -0.78 -0.12 0.00 -1.01 0.00 0.00 64.21 62.83 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 -1.20 0.61 -1.48 1.43 1.02 -1.26 -4.53 120.64 115.24 1x0n n GLU 89 Ca 0.03 0.43 -0.13 0.00 -0.02 0.00 0.00 57.16 57.46 1x0n n GLU 89 Cb 0.48 -1.67 0.09 0.00 -0.02 0.00 0.00 31.44 30.32 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 -4.15 3.78 -3.36 1.62 7.64 -1.26 -4.88 113.62 113.00 1x0n n SER 90 Ca -0.38 -3.81 -0.22 0.00 1.01 0.00 0.00 58.87 55.48 1x0n n SER 90 Cb 0.81 -0.42 -0.09 0.00 -1.01 0.00 0.00 64.21 63.50 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 -3.47 0.24 -0.25 -0.43 0.00 -1.26 -5.11 121.76 111.47 1x0n s ALA 91 Ca 0.46 -1.51 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 1x0n s ALA 91 Cb 0.40 -1.86 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 1x0n s ALA 91 CO -0.00 -2.11 1.63 -1.25 0.00 0.00 0.00 175.76 174.03 1x0n s PRO 92 N 1.03 3.70 0.00 0.00 0.04 -1.26 -2.91 135.00 135.60 1x0n s PRO 92 Ca 0.21 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1x0n s PRO 92 Cb -0.14 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1x0n s PRO 92 CO -0.04 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 176.00 1x0n n GLY 93 N 4.81 1.63 3.59 0.56 0.00 -1.26 -5.09 105.19 109.43 1x0n n GLY 93 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.19 6.58 -0.05 1.61 -1.08 -1.15 -5.01 116.67 116.38 1x0n s ASP 94 Ca 0.00 0.32 0.06 0.00 -0.52 0.00 0.00 52.55 52.41 1x0n s ASP 94 Cb 0.00 -2.50 -0.01 0.00 -1.46 0.00 0.00 42.92 38.95 1x0n s ASP 94 CO 0.00 -1.15 -0.23 -0.36 0.52 0.00 0.00 175.17 173.94 1x0n s PHE 95 N 4.12 2.23 -0.05 -5.34 0.08 -1.26 -3.20 117.98 114.57 1x0n s PHE 95 Ca 0.43 -0.62 -0.02 0.00 0.12 0.00 0.00 56.93 56.84 1x0n s PHE 95 Cb -0.09 -1.47 0.03 0.00 -0.57 0.00 0.00 43.02 40.93 1x0n s PHE 95 CO 0.29 -0.18 0.09 -1.54 -0.10 0.00 0.00 175.22 173.78 1x0n s SER 96 N -0.19 0.20 -0.05 1.36 1.04 -0.92 -2.66 113.70 112.48 1x0n s SER 96 Ca -0.01 0.17 -0.18 0.00 0.48 0.00 0.00 55.95 56.40 1x0n s SER 96 Cb -0.12 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 65.99 1x0n s SER 96 CO 0.03 -0.16 0.49 -0.22 0.98 0.00 0.00 173.24 174.35 1x0n s LEU 97 N 1.37 4.37 -0.25 2.42 1.98 -1.03 -1.51 118.68 126.03 1x0n s LEU 97 Ca -0.06 0.96 0.03 0.00 -2.89 0.00 0.00 54.13 52.16 1x0n s LEU 97 Cb -0.12 -2.73 0.06 0.00 0.66 0.00 0.00 46.19 44.05 1x0n s LEU 97 CO -0.04 0.12 -0.12 -0.44 -1.89 0.00 0.00 176.35 173.98 1x0n s SER 98 N -0.09 4.32 -0.08 3.68 0.01 -0.00 -0.63 113.70 120.91 1x0n s SER 98 Ca 0.27 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.22 1x0n s SER 98 Cb -0.16 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 1x0n s SER 98 CO 0.13 -0.17 -0.07 -0.69 0.41 0.00 0.00 173.24 172.85 1x0n s VAL 99 N 1.13 3.68 0.05 3.43 1.01 -0.60 -1.19 120.40 127.90 1x0n s VAL 99 Ca -0.07 -0.48 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 1x0n s VAL 99 Cb -0.19 -2.51 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 1x0n s VAL 99 CO -0.06 0.58 0.77 -0.75 0.00 0.00 0.00 175.10 175.65 1x0n s LYS 100 N -0.64 4.50 -0.34 2.72 2.20 -0.35 -0.33 119.74 127.51 1x0n s LYS 100 Ca 0.10 1.08 -0.01 0.00 -0.36 0.00 0.00 55.97 56.78 1x0n s LYS 100 Cb -0.11 -3.36 0.13 0.00 -1.51 0.00 0.00 37.83 32.98 1x0n s LYS 100 CO 0.02 0.29 0.19 -0.06 -0.36 0.00 0.00 175.35 175.43 1x0n s PHE 101 N -0.08 0.62 0.00 4.03 0.08 -0.82 -3.87 117.98 117.94 1x0n s PHE 101 Ca 0.39 -1.45 0.00 0.00 0.12 0.00 0.00 56.93 55.98 1x0n s PHE 101 Cb -0.21 -0.90 0.00 0.00 -0.57 0.00 0.00 43.02 41.34 1x0n s PHE 101 CO 0.23 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 174.93 1x0n n GLY 102 N 4.31 2.60 1.37 4.36 0.00 -1.26 -2.41 105.19 114.15 1x0n n GLY 102 Ca 0.08 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 8.11 3.98 -3.72 1.61 4.13 -1.26 -4.86 115.26 123.24 1x0n n ASN 103 Ca 0.00 -2.09 -0.16 0.00 1.68 0.00 0.00 54.58 54.02 1x0n n ASN 103 Cb 0.00 -0.50 -0.16 0.00 -1.54 0.00 0.00 39.78 37.59 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 -0.98 0.34 -0.22 6.41 1.01 -1.01 -5.13 116.67 117.09 1x0n s ASP 104 Ca 0.48 0.18 -0.19 0.00 0.71 0.00 0.00 52.55 53.73 1x0n s ASP 104 Cb 0.26 0.06 -0.03 0.00 1.01 0.00 0.00 42.92 44.23 1x0n s ASP 104 CO 0.31 -0.18 0.56 -0.69 0.21 0.00 0.00 175.17 175.38 1x0n s VAL 105 N 1.55 5.06 0.65 -1.27 1.01 -1.26 -1.95 120.40 124.18 1x0n s VAL 105 Ca -0.04 1.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 1x0n s VAL 105 Cb -0.12 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 32.46 1x0n s VAL 105 CO -0.04 0.11 0.91 -1.10 0.00 0.00 0.00 175.10 174.98 1x0n s GLN 106 N 2.01 2.07 0.06 2.72 -0.21 0.55 -4.92 119.66 121.93 1x0n s GLN 106 Ca 0.25 -0.88 -0.04 0.00 0.02 0.00 0.00 55.36 54.71 1x0n s GLN 106 Cb -0.16 -2.37 -0.02 0.00 1.00 0.00 0.00 33.01 31.46 1x0n s GLN 106 CO 0.09 -1.14 0.06 -1.01 -2.12 0.00 0.00 175.29 171.17 1x0n s HIS 107 N -3.01 0.34 -0.18 0.91 3.76 -1.26 -1.56 115.29 114.29 1x0n s HIS 107 Ca 0.62 -0.80 -0.04 0.00 -0.15 0.00 0.00 55.06 54.69 1x0n s HIS 107 Cb -0.08 -0.24 0.06 0.00 1.11 0.00 0.00 32.58 33.43 1x0n s HIS 107 CO 0.42 -0.42 0.06 -0.06 -0.85 0.00 0.00 174.74 173.89 1x0n s PHE 108 N -3.58 0.60 0.01 1.40 0.40 0.20 -4.98 117.98 112.04 1x0n s PHE 108 Ca 0.03 -0.56 -0.30 0.00 -0.60 0.00 0.00 56.93 55.50 1x0n s PHE 108 Cb 0.05 -0.85 -0.08 0.00 0.51 0.00 0.00 43.02 42.65 1x0n s PHE 108 CO -0.09 -0.55 1.82 0.15 0.70 0.00 0.00 175.22 177.25 1x0n s LYS 109 N 2.00 4.16 -0.08 0.44 -0.14 -1.26 -2.46 119.74 122.40 1x0n s LYS 109 Ca 0.01 2.43 -0.26 0.00 -1.36 0.00 0.00 55.97 56.79 1x0n s LYS 109 Cb -0.16 -4.02 -0.03 0.00 -1.68 0.00 0.00 37.83 31.94 1x0n s LYS 109 CO -0.08 -0.89 0.84 0.08 -0.76 0.00 0.00 175.35 174.54 1x0n s VAL 110 N 4.07 4.93 -0.08 3.17 1.01 -1.09 -4.90 120.40 127.51 1x0n s VAL 110 Ca 0.81 1.72 -0.05 0.00 0.00 0.00 0.00 61.98 64.47 1x0n s VAL 110 Cb -0.39 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1x0n s VAL 110 CO 0.36 0.14 0.14 -0.76 0.00 0.00 0.00 175.10 174.98 1x0n s LEU 111 N 1.37 4.30 -0.11 3.92 2.01 -0.75 -4.71 118.68 124.71 1x0n s LEU 111 Ca 0.43 0.39 -0.07 0.00 0.01 0.00 0.00 54.13 54.89 1x0n s LEU 111 Cb -0.18 -2.23 0.04 0.00 0.01 0.00 0.00 46.19 43.82 1x0n s LEU 111 CO 0.19 0.35 0.26 0.00 1.01 0.00 0.00 176.35 178.16 1x0n s ARG 112 N -1.34 0.26 0.25 1.70 3.03 -1.26 -0.57 118.95 121.01 1x0n s ARG 112 Ca 0.19 0.47 -0.04 0.00 2.03 0.00 0.00 55.73 58.38 1x0n s ARG 112 Cb -0.12 -0.00 -0.02 0.00 -1.03 0.00 0.00 34.95 33.77 1x0n s ARG 112 CO 0.09 -0.11 0.30 -0.51 -1.13 0.00 0.00 175.30 173.94 1x0n s ASP 113 N 0.80 0.33 0.00 -2.89 1.11 -1.12 -4.96 116.67 109.94 1x0n s ASP 113 Ca -0.05 -1.30 0.00 0.00 0.18 0.00 0.00 52.55 51.37 1x0n s ASP 113 Cb -0.07 0.50 0.00 0.00 1.07 0.00 0.00 42.92 44.42 1x0n s ASP 113 CO -0.05 -1.01 0.00 0.61 1.18 0.00 0.00 175.17 175.89 1x0n n GLY 114 N -0.38 2.13 1.81 0.21 0.00 -1.26 -3.40 105.19 104.31 1x0n n GLY 114 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.70 4.61 0.00 -1.26 -5.01 120.51 116.14 1x0n n ALA 115 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1x0n n ALA 115 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.42 1.95 3.34 0.00 0.00 -1.25 -5.08 105.19 102.72 1x0n n GLY 116 Ca 0.00 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.94 2.74 0.35 1.61 -0.14 -1.22 -4.46 119.74 117.68 1x0n s LYS 117 Ca 0.14 -1.17 -0.08 0.00 -1.36 0.00 0.00 55.97 53.50 1x0n s LYS 117 Cb 0.41 -3.69 -0.06 0.00 -1.68 0.00 0.00 37.83 32.80 1x0n s LYS 117 CO -0.10 -0.74 0.68 0.71 -0.76 0.00 0.00 175.35 175.13 1x0n s TYR 118 N 1.50 3.47 0.05 3.18 2.02 -0.29 -2.77 117.35 124.51 1x0n s TYR 118 Ca 0.01 0.88 -0.28 0.00 -0.37 0.00 0.00 57.07 57.32 1x0n s TYR 118 Cb -0.20 -2.30 0.09 0.00 -0.40 0.00 0.00 41.96 39.15 1x0n s TYR 118 CO 0.05 0.02 1.01 -0.59 -1.57 0.00 0.00 175.55 174.47 1x0n s PHE 119 N -2.23 -0.18 0.00 2.71 -0.71 0.27 -0.40 117.98 117.43 1x0n s PHE 119 Ca 0.48 -0.02 0.00 0.00 -1.04 0.00 0.00 56.93 56.35 1x0n s PHE 119 Cb -0.10 0.59 0.00 0.00 -1.21 0.00 0.00 43.02 42.29 1x0n s PHE 119 CO 0.30 -0.61 0.00 1.28 -1.34 0.00 0.00 175.22 174.85 1x0n n LEU 120 N -0.38 0.00 0.00 -1.99 4.77 -1.14 -1.81 117.00 116.45 1x0n n LEU 120 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1x0n n LEU 120 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1x0n n LEU 120 CO 0.12 0.00 0.14 0.79 -1.33 0.00 0.00 177.39 177.11 1x0n n TRP 121 N 0.00 0.00 0.00 -1.77 7.02 -1.26 -4.88 117.44 116.55 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 -0.44 0.00 0.00 -2.42 0.00 0.00 31.31 28.45 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 -1.81 0.00 -2.35 -0.99 0.24 -1.26 -5.08 118.33 107.08 1x0n n VAL 122 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.91 1x0n n VAL 122 Cb 0.00 -0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 32.02 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 -1.35 3.25 0.18 3.34 0.11 -1.26 -5.05 120.40 119.62 1x0n s VAL 123 Ca 0.00 1.15 0.01 0.00 -2.93 0.00 0.00 61.98 60.21 1x0n s VAL 123 Cb 0.00 -3.69 -0.05 0.00 -1.53 0.00 0.00 36.38 31.12 1x0n s VAL 123 CO 0.00 0.19 0.05 -1.59 -3.33 0.00 0.00 175.10 170.42 1x0n s LYS 124 N -1.92 1.14 0.35 1.54 -2.85 -1.26 -2.88 119.74 113.86 1x0n s LYS 124 Ca 0.51 -1.57 -0.16 0.00 -1.00 0.00 0.00 55.97 53.75 1x0n s LYS 124 Cb -0.32 -0.08 0.04 0.00 -2.06 0.00 0.00 37.83 35.41 1x0n s LYS 124 CO 0.41 -0.23 0.72 -0.06 0.10 0.00 0.00 175.35 176.29 1x0n s PHE 125 N -3.83 0.14 -0.21 1.78 0.08 0.46 -4.98 117.98 111.42 1x0n s PHE 125 Ca 0.29 -0.70 -0.12 0.00 0.12 0.00 0.00 56.93 56.52 1x0n s PHE 125 Cb 0.07 0.68 -0.19 0.00 -0.57 0.00 0.00 43.02 43.01 1x0n s PHE 125 CO 0.07 -1.41 0.03 0.27 -0.10 0.00 0.00 175.22 174.08 1x0n n ASN 126 N -1.10 1.98 -4.76 1.36 6.94 -1.26 -1.14 115.26 117.27 1x0n n ASN 126 Ca -0.06 0.24 -0.25 0.00 -0.02 0.00 0.00 54.58 54.50 1x0n n ASN 126 Cb 0.60 -0.80 -0.06 0.00 -2.36 0.00 0.00 39.78 37.16 1x0n n ASN 126 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1x0n s SER 127 N -7.01 5.26 0.14 0.53 1.04 -1.26 -4.42 113.70 107.99 1x0n s SER 127 Ca -0.31 -0.27 -0.15 0.00 0.48 0.00 0.00 55.95 55.71 1x0n s SER 127 Cb 0.09 -1.28 0.01 0.00 0.10 0.00 0.00 66.02 64.94 1x0n s SER 127 CO 0.61 0.04 1.67 -0.07 0.98 0.00 0.00 173.24 176.47 1x0n h LEU 128 N 2.20 0.65 -0.78 2.42 3.38 -1.93 -2.89 115.31 118.37 1x0n h LEU 128 Ca -0.47 -0.20 0.17 0.00 0.09 0.00 0.00 57.88 57.46 1x0n h LEU 128 Cb 1.21 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.69 1x0n h LEU 128 CO 0.61 0.68 0.26 -0.55 0.09 0.00 0.00 178.44 179.53 1x0n h ASN 129 N 0.59 0.17 -0.73 -0.43 -1.07 -2.00 0.68 115.58 112.79 1x0n h ASN 129 Ca 0.15 0.13 0.04 0.00 0.07 0.00 0.00 56.30 56.69 1x0n h ASN 129 Cb 0.26 0.15 -0.05 0.00 -2.07 0.00 0.00 38.32 36.60 1x0n h ASN 129 CO -0.01 0.02 0.45 -0.33 0.07 0.00 0.00 177.43 177.63 1x0n h GLU 130 N 0.36 0.83 0.46 4.14 3.07 -1.93 -2.01 114.58 119.50 1x0n h GLU 130 Ca 0.44 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.23 1x0n h GLU 130 Cb 0.75 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1x0n h GLU 130 CO -0.48 0.55 -0.22 1.25 -1.40 0.00 0.00 179.01 178.71 1x0n h LEU 131 N 0.86 -0.52 -0.88 1.33 5.85 -0.86 -2.60 115.31 118.49 1x0n h LEU 131 Ca 0.31 -0.05 0.21 0.00 0.84 0.00 0.00 57.88 59.18 1x0n h LEU 131 Cb 0.08 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.12 1x0n h LEU 131 CO -0.14 -0.27 0.39 0.58 -0.34 0.00 0.00 178.44 178.66 1x0n h VAL 132 N -0.75 0.51 0.79 1.05 2.07 -1.05 -1.69 116.25 117.17 1x0n h VAL 132 Ca -0.06 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1x0n h VAL 132 Cb 0.54 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1x0n h VAL 132 CO 0.10 0.08 -0.48 0.44 0.02 0.00 0.00 177.57 177.73 1x0n h ASP 133 N 0.42 -1.22 -1.05 0.57 3.32 -1.21 -0.94 116.42 116.31 1x0n h ASP 133 Ca 0.54 0.07 0.29 0.00 0.02 0.00 0.00 57.03 57.94 1x0n h ASP 133 Cb 0.99 0.35 -0.06 0.00 0.22 0.00 0.00 39.33 40.83 1x0n h ASP 133 CO -0.51 -0.75 0.72 0.22 -1.72 0.00 0.00 179.24 177.20 1x0n h TYR 134 N -1.19 0.30 0.00 4.55 5.03 -0.95 0.80 116.97 125.50 1x0n h TYR 134 Ca -0.11 0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.08 1x0n h TYR 134 Cb 0.96 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.13 1x0n h TYR 134 CO -0.10 0.03 -0.66 0.45 -1.32 0.00 0.00 178.16 176.56 1x0n h HIS 135 N 0.19 0.00 0.00 -3.82 3.86 -0.74 -0.48 115.15 114.15 1x0n h HIS 135 Ca 0.54 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.60 1x0n h HIS 135 Cb 1.77 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.22 1x0n h HIS 135 CO -0.00 0.66 -0.71 0.07 0.86 0.00 0.00 177.93 178.81 1x0n h ARG 136 N 0.00 0.00 0.00 2.45 0.11 0.19 -3.08 114.38 114.05 1x0n h ARG 136 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1x0n h ARG 136 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1x0n h ARG 136 CO 0.09 0.71 -1.06 0.43 0.10 0.00 0.00 179.97 180.23 1x0n n SER 137 N -3.65 0.61 -4.42 0.08 7.64 -0.65 -4.22 113.62 109.01 1x0n n SER 137 Ca -0.01 -0.24 -0.29 0.00 1.01 0.00 0.00 58.87 59.34 1x0n n SER 137 Cb 0.70 0.85 -0.12 0.00 -1.01 0.00 0.00 64.21 64.63 1x0n n SER 137 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x0n s THR 138 N -3.20 2.39 1.03 0.44 2.01 -0.20 -5.09 115.64 113.03 1x0n s THR 138 Ca 0.03 -1.77 -0.21 0.00 0.31 0.00 0.00 61.69 60.05 1x0n s THR 138 Cb 0.14 -2.09 -0.07 0.00 0.01 0.00 0.00 72.50 70.50 1x0n s THR 138 CO 0.81 0.05 -0.72 -1.54 -0.69 0.00 0.00 174.62 172.52 1x0n n SER 139 N 0.75 -3.23 0.07 3.53 3.41 -1.26 -4.54 113.62 112.35 1x0n n SER 139 Ca -0.16 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1x0n n SER 139 Cb 0.54 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1x0n n SER 139 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1x0n n VAL 140 N -3.63 0.53 -3.12 -3.33 0.31 -0.82 -4.89 118.33 103.38 1x0n n VAL 140 Ca -0.00 0.18 -0.39 0.00 -0.01 0.00 0.00 64.34 64.11 1x0n n VAL 140 Cb 0.66 -1.12 -0.06 0.00 -0.91 0.00 0.00 33.84 32.41 1x0n n VAL 140 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1x0n s SER 141 N -5.43 7.19 -0.15 4.52 0.15 -1.26 -4.95 113.70 113.76 1x0n s SER 141 Ca 0.00 1.41 0.02 0.00 0.70 0.00 0.00 55.95 58.08 1x0n s SER 141 Cb 0.00 -2.42 0.24 0.00 -1.71 0.00 0.00 66.02 62.13 1x0n s SER 141 CO 0.00 0.20 1.30 0.54 1.20 0.00 0.00 173.24 176.48 1x0n n ARG 142 N 1.94 1.50 0.00 5.44 1.74 -1.26 -3.89 116.66 122.12 1x0n n ARG 142 Ca -0.07 -1.07 0.00 0.00 -0.77 0.00 0.00 57.85 55.94 1x0n n ARG 142 Cb 0.50 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 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 -0.06 0.41 -1.41 0.55 3.02 -1.26 -5.12 115.26 111.38 1x0n n ASN 143 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1x0n n ASN 143 Cb 0.90 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 1x0n n ASN 143 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1x0n n GLN 144 N -2.79 1.96 -3.65 3.52 7.27 -1.25 -5.10 117.38 117.33 1x0n n GLN 144 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.69 1x0n n GLN 144 Cb 0.38 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.94 1x0n n GLN 144 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1x0n s GLN 145 N -1.34 2.79 0.07 3.69 -0.21 -1.26 -4.62 119.66 118.78 1x0n s GLN 145 Ca 0.00 -2.60 0.04 0.00 0.02 0.00 0.00 55.36 52.83 1x0n s GLN 145 Cb 0.00 -3.86 -0.03 0.00 1.00 0.00 0.00 33.01 30.12 1x0n s GLN 145 CO 0.00 -1.20 -0.12 0.42 -2.12 0.00 0.00 175.29 172.27 1x0n s ILE 146 N -0.16 1.00 0.39 1.08 1.01 -1.26 -5.07 121.20 118.19 1x0n s ILE 146 Ca 0.18 -1.34 0.08 0.00 0.00 0.00 0.00 60.65 59.57 1x0n s ILE 146 Cb -0.18 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 1x0n s ILE 146 CO -0.05 -0.31 0.18 -0.36 0.00 0.00 0.00 174.94 174.40 1x0n s PHE 147 N -1.51 2.64 -0.46 3.97 0.08 -1.26 -1.94 117.98 119.49 1x0n s PHE 147 Ca -0.02 -0.52 -0.28 0.00 0.12 0.00 0.00 56.93 56.23 1x0n s PHE 147 Cb -0.09 -1.87 0.03 0.00 -0.57 0.00 0.00 43.02 40.52 1x0n s PHE 147 CO 0.02 0.22 1.08 -1.17 -0.10 0.00 0.00 175.22 175.26 1x0n s LEU 148 N -3.90 3.75 -0.03 -0.37 2.96 -1.17 -4.66 118.68 115.26 1x0n s LEU 148 Ca 0.40 0.41 -0.19 0.00 -0.22 0.00 0.00 54.13 54.54 1x0n s LEU 148 Cb 0.01 -3.45 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 1x0n s LEU 148 CO 0.23 -1.18 0.53 -0.13 -1.32 0.00 0.00 176.35 174.48 1x0n s ARG 149 N 4.22 4.25 -0.31 1.98 1.81 0.36 -4.47 118.95 126.79 1x0n s ARG 149 Ca 0.45 0.60 -0.29 0.00 -1.72 0.00 0.00 55.73 54.77 1x0n s ARG 149 Cb -0.08 -3.34 -0.02 0.00 -0.45 0.00 0.00 34.95 31.06 1x0n s ARG 149 CO 0.29 0.38 1.76 0.16 -0.68 0.00 0.00 175.30 177.22 1x0n s ASP 150 N -0.18 5.99 0.41 0.23 1.47 -1.26 -2.58 116.67 120.75 1x0n s ASP 150 Ca 0.28 1.37 -0.25 0.00 1.18 0.00 0.00 52.55 55.13 1x0n s ASP 150 Cb -0.17 -2.53 -0.11 0.00 -0.34 0.00 0.00 42.92 39.77 1x0n s ASP 150 CO 0.15 -1.62 1.03 0.00 0.68 0.00 0.00 175.17 175.41 1x0n n ILE 151 N 7.24 2.40 -2.62 2.11 3.06 -1.26 -4.86 119.36 125.44 1x0n n ILE 151 Ca 0.22 -0.50 -0.41 0.00 -2.50 0.00 0.00 62.75 59.56 1x0n n ILE 151 Cb 0.46 -1.17 -0.03 0.00 0.54 0.00 0.00 39.64 39.44 1x0n n ILE 151 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 1x0n s GLU 152 N -1.99 3.52 0.40 9.51 2.12 -1.26 -4.89 118.70 126.12 1x0n s GLU 152 Ca 0.63 -1.07 -0.16 0.00 0.36 0.00 0.00 54.97 54.72 1x0n s GLU 152 Cb -0.56 -5.10 -0.13 0.00 0.26 0.00 0.00 34.13 28.60 1x0n s GLU 152 CO 0.57 -2.13 -0.06 0.94 -0.54 0.00 0.00 175.26 174.04 1x0n n GLN 153 N 8.61 0.00 -1.17 4.30 7.27 -1.26 -4.54 117.38 130.58 1x0n n GLN 153 Ca 0.26 0.00 -0.46 0.00 0.07 0.00 0.00 57.00 56.87 1x0n n GLN 153 Cb 0.50 -0.85 -0.06 0.00 2.41 0.00 0.00 30.24 32.24 1x0n n GLN 153 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1x0n n VAL 154 N -1.17 0.00 -1.64 1.69 3.14 -1.26 -4.86 118.33 114.22 1x0n n VAL 154 Ca 0.08 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.13 1x0n n VAL 154 Cb 0.38 -0.16 0.06 0.00 -1.06 0.00 0.00 33.84 33.07 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 0.93 2.68 -0.40 1.45 0.04 -1.26 -5.05 135.00 133.39 1x0n s PRO 155 Ca 0.71 1.34 0.04 0.00 0.04 0.00 0.00 61.00 63.13 1x0n s PRO 155 Cb -1.00 -1.94 0.16 0.00 0.04 0.00 0.00 34.50 31.77 1x0n s PRO 155 CO 0.49 -1.34 0.42 -1.14 0.04 0.00 0.00 177.00 175.48 1x0n s GLN 156 N -4.27 0.76 -0.40 4.56 2.00 -1.26 -5.01 119.66 116.03 1x0n s GLN 156 Ca 0.66 -1.12 -0.30 0.00 -2.00 0.00 0.00 55.36 52.60 1x0n s GLN 156 Cb -0.20 -0.75 0.04 0.00 0.80 0.00 0.00 33.01 32.91 1x0n s GLN 156 CO 0.45 -1.25 0.55 0.94 -0.50 0.00 0.00 175.29 175.47 1x0n n GLN 157 N 3.80 -1.56 -1.27 1.67 -0.06 -1.26 -4.88 117.38 113.81 1x0n n GLN 157 Ca 0.16 1.11 -0.31 0.00 -2.00 0.00 0.00 57.00 55.96 1x0n n GLN 157 Cb 0.47 -1.66 0.09 0.00 -4.06 0.00 0.00 30.24 25.08 1x0n n GLN 157 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1x0n s PRO 158 N -2.27 2.27 0.00 3.69 0.04 -1.26 -5.35 135.00 132.12 1x0n s PRO 158 Ca 0.29 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1x0n s PRO 158 Cb -0.03 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1x0n s PRO 158 CO 0.73 -1.63 0.00 2.41 0.04 0.00 0.00 177.00 178.54