#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 1.55 -0.03 5.87 5.36 -1.26 -1.39 117.98 128.08 1x0n s PHE 61 Ca 0.00 -0.48 0.01 0.00 -0.96 0.00 0.00 56.93 55.51 1x0n s PHE 61 Cb 0.00 -0.83 0.01 0.00 -0.34 0.00 0.00 43.02 41.86 1x0n s PHE 61 CO 0.00 0.17 -0.05 -0.06 -1.46 0.00 0.00 175.22 173.82 1x0n s PHE 62 N -1.61 0.63 0.00 10.12 0.40 0.02 -4.90 117.98 122.64 1x0n s PHE 62 Ca 0.07 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1x0n s PHE 62 Cb -0.08 -0.51 0.00 0.00 0.51 0.00 0.00 43.02 42.94 1x0n s PHE 62 CO 0.04 -0.10 0.00 0.41 0.70 0.00 0.00 175.22 176.26 1x0n n GLY 63 N 3.56 -2.41 3.29 4.36 0.00 -1.26 -2.75 105.19 109.97 1x0n n GLY 63 Ca -0.20 -0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.26 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 3.09 -0.01 1.61 -0.14 -1.26 -2.91 119.74 120.13 1x0n s LYS 64 Ca 0.00 -2.03 0.01 0.00 -1.36 0.00 0.00 55.97 52.60 1x0n s LYS 64 Cb 0.00 -4.25 -0.00 0.00 -1.68 0.00 0.00 37.83 31.90 1x0n s LYS 64 CO 0.00 -1.29 -0.04 0.96 -0.76 0.00 0.00 175.35 174.22 1x0n s ILE 65 N 0.97 0.36 0.50 2.17 -5.25 -1.26 -5.08 121.20 113.61 1x0n s ILE 65 Ca 0.09 -0.18 -0.21 0.00 -0.99 0.00 0.00 60.65 59.36 1x0n s ILE 65 Cb -0.22 -0.32 -0.07 0.00 2.95 0.00 0.00 42.46 44.80 1x0n s ILE 65 CO -0.02 0.11 1.15 -2.16 -1.79 0.00 0.00 174.94 172.23 1x0n s PRO 66 N 0.00 3.55 0.53 0.37 0.04 -1.26 -4.85 135.00 133.39 1x0n s PRO 66 Ca 0.00 1.69 0.40 0.00 0.04 0.00 0.00 61.00 63.13 1x0n s PRO 66 Cb -0.03 -2.19 1.58 0.00 0.04 0.00 0.00 34.50 33.90 1x0n s PRO 66 CO -0.00 -0.71 1.71 0.07 0.04 0.00 0.00 177.00 178.11 1x0n h ARG 67 N 1.60 0.03 0.21 4.56 0.11 -2.01 0.21 114.38 119.09 1x0n h ARG 67 Ca -0.50 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.57 1x0n h ARG 67 Cb 1.25 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1x0n h ARG 67 CO 0.58 0.02 -0.10 0.00 0.10 0.00 0.00 179.97 180.57 1x0n h ALA 68 N 1.30 -0.29 -0.61 0.08 0.00 -2.00 -2.77 119.26 114.97 1x0n h ALA 68 Ca 0.71 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.57 1x0n h ALA 68 Cb 2.76 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 20.58 1x0n h ALA 68 CO -0.06 -0.54 0.18 -0.22 0.00 0.00 0.00 179.25 178.62 1x0n h LYS 69 N -0.54 0.33 0.01 0.00 1.63 -0.95 -2.22 116.57 114.83 1x0n h LYS 69 Ca -0.03 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1x0n h LYS 69 Cb 0.40 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.91 1x0n h LYS 69 CO 0.05 0.22 -0.32 0.00 -3.45 0.00 0.00 179.45 175.94 1x0n h ALA 70 N 1.45 -0.48 -0.88 5.00 0.00 -1.43 -0.38 119.26 122.54 1x0n h ALA 70 Ca 0.32 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.41 1x0n h ALA 70 Cb 0.43 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1x0n h ALA 70 CO -0.36 -0.84 0.59 0.93 0.00 0.00 0.00 179.25 179.57 1x0n h GLU 71 N -0.48 0.35 -0.28 0.00 5.08 -1.12 0.82 114.58 118.95 1x0n h GLU 71 Ca 0.06 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 1x0n h GLU 71 Cb 0.56 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1x0n h GLU 71 CO -0.26 0.23 -0.54 0.93 -1.00 0.00 0.00 179.01 178.37 1x0n h GLU 72 N 0.36 0.83 -0.53 2.33 4.39 -0.62 0.94 114.58 122.29 1x0n h GLU 72 Ca 0.45 -0.52 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1x0n h GLU 72 Cb 1.20 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 1x0n h GLU 72 CO -0.15 1.16 0.30 0.52 -1.16 0.00 0.00 179.01 179.67 1x0n h MET 73 N 0.64 0.71 0.03 2.33 2.86 0.70 -1.22 114.93 120.98 1x0n h MET 73 Ca 0.02 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.47 1x0n h MET 73 Cb 1.14 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 1x0n h MET 73 CO 0.12 0.52 -0.65 -0.07 1.06 0.00 0.00 176.91 177.89 1x0n h LEU 74 N 0.73 0.09 -1.01 1.22 3.38 -1.33 -3.33 115.31 115.06 1x0n h LEU 74 Ca 0.19 -0.83 0.18 0.00 0.09 0.00 0.00 57.88 57.51 1x0n h LEU 74 Cb 0.01 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.62 1x0n h LEU 74 CO -0.03 1.27 0.62 -1.28 0.09 0.00 0.00 178.44 179.10 1x0n h SER 75 N -0.85 0.80 0.28 -0.43 0.87 -0.73 0.51 113.55 114.00 1x0n h SER 75 Ca -0.16 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1x0n h SER 75 Cb 1.25 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1x0n h SER 75 CO -0.04 0.30 -0.06 0.07 -0.53 0.00 0.00 176.83 176.57 1x0n h LYS 76 N 0.79 0.00 -7.16 2.24 2.10 -1.35 -3.43 116.57 109.75 1x0n h LYS 76 Ca 0.57 0.00 -0.40 0.00 -2.00 0.00 0.00 60.65 58.82 1x0n h LYS 76 Cb 0.85 0.00 0.21 0.00 -0.90 0.00 0.00 32.23 32.39 1x0n h LYS 76 CO -0.37 0.06 -0.02 -0.65 -2.00 0.00 0.00 179.45 176.47 1x0n s GLN 77 N -4.24 -2.14 -0.05 0.07 -1.52 0.18 -5.01 119.66 106.95 1x0n s GLN 77 Ca -0.03 0.16 0.01 0.00 -1.95 0.00 0.00 55.36 53.55 1x0n s GLN 77 Cb 0.13 -1.47 -0.04 0.00 -0.22 0.00 0.00 33.01 31.42 1x0n s GLN 77 CO 0.54 -4.36 -0.03 0.54 -0.25 0.00 0.00 175.29 171.73 1x0n n ARG 78 N -5.27 1.05 -0.05 2.91 5.12 -1.26 -5.05 116.66 114.11 1x0n n ARG 78 Ca 0.11 0.02 -0.02 0.00 -1.93 0.00 0.00 57.85 56.04 1x0n n ARG 78 Cb 0.59 -1.10 0.01 0.00 -1.16 0.00 0.00 32.46 30.80 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 -2.51 -2.88 -3.81 -1.55 8.25 -1.26 -5.06 115.22 106.41 1x0n n HIS 79 Ca -0.08 -0.05 -0.27 0.00 -0.26 0.00 0.00 57.72 57.06 1x0n n HIS 79 Cb 0.61 -0.06 -0.17 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.72 2.63 0.00 0.41 1.01 -1.26 -4.79 116.67 112.95 1x0n s ASP 80 Ca 0.04 -0.62 0.00 0.00 0.71 0.00 0.00 52.55 52.68 1x0n s ASP 80 Cb -0.00 -0.71 0.00 0.00 1.01 0.00 0.00 42.92 43.22 1x0n s ASP 80 CO 0.03 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 175.79 1x0n n GLY 81 N 4.99 1.95 3.68 0.21 0.00 -1.20 -4.65 105.19 110.17 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 1.94 -2.77 4.61 0.00 -1.26 -0.41 120.51 122.62 1x0n n ALA 82 Ca 0.00 0.29 -0.34 0.00 0.00 0.00 0.00 53.44 53.39 1x0n n ALA 82 Cb 0.00 -2.61 -0.07 0.00 0.00 0.00 0.00 19.45 16.77 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 3.20 3.31 -0.26 0.00 -0.12 -0.97 -2.12 117.98 121.01 1x0n s PHE 83 Ca 0.84 0.26 -0.04 0.00 -0.05 0.00 0.00 56.93 57.93 1x0n s PHE 83 Cb -0.49 -1.78 0.14 0.00 -0.63 0.00 0.00 43.02 40.26 1x0n s PHE 83 CO 0.39 0.56 0.51 -1.17 -0.05 0.00 0.00 175.22 175.46 1x0n s LEU 84 N -1.42 -0.97 -0.25 -1.99 0.20 -0.55 -4.11 118.68 109.58 1x0n s LEU 84 Ca 0.19 0.84 -0.15 0.00 0.69 0.00 0.00 54.13 55.70 1x0n s LEU 84 Cb -0.12 1.72 -0.04 0.00 -0.43 0.00 0.00 46.19 47.33 1x0n s LEU 84 CO 0.10 -0.26 0.40 -0.63 -0.29 0.00 0.00 176.35 175.66 1x0n s ILE 85 N 2.73 5.17 0.07 6.68 1.01 -0.48 -0.73 121.20 135.64 1x0n s ILE 85 Ca 0.09 0.64 0.04 0.00 0.00 0.00 0.00 60.65 61.42 1x0n s ILE 85 Cb -0.14 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1x0n s ILE 85 CO -0.17 0.17 0.02 0.00 0.00 0.00 0.00 174.94 174.96 1x0n s ARG 86 N 1.91 2.68 -0.08 2.79 3.03 0.45 -0.80 118.95 128.92 1x0n s ARG 86 Ca 0.17 -0.76 -0.03 0.00 2.03 0.00 0.00 55.73 57.14 1x0n s ARG 86 Cb -0.15 -2.61 -0.04 0.00 -1.03 0.00 0.00 34.95 31.12 1x0n s ARG 86 CO 0.09 0.56 0.06 -2.00 -1.13 0.00 0.00 175.30 172.88 1x0n s GLU 87 N -2.20 3.14 0.69 3.89 2.12 -1.11 -2.11 118.70 123.12 1x0n s GLU 87 Ca 0.26 -0.33 -0.17 0.00 0.36 0.00 0.00 54.97 55.09 1x0n s GLU 87 Cb -0.12 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.32 1x0n s GLU 87 CO 0.18 0.72 0.82 0.43 -0.54 0.00 0.00 175.26 176.86 1x0n n SER 88 N 1.95 -0.03 0.04 -1.70 7.64 -1.21 -4.52 113.62 115.79 1x0n n SER 88 Ca -0.18 0.68 -0.06 0.00 1.01 0.00 0.00 58.87 60.31 1x0n n SER 88 Cb 0.54 -1.33 -0.04 0.00 -1.01 0.00 0.00 64.21 62.37 1x0n n SER 88 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1x0n h GLU 89 N -0.12 -0.21 -0.47 1.43 5.08 -1.95 -3.36 114.58 114.99 1x0n h GLU 89 Ca -0.47 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 1x0n h GLU 89 Cb 1.35 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 1x0n h GLU 89 CO 0.46 0.02 0.06 0.43 -1.00 0.00 0.00 179.01 178.99 1x0n n SER 90 N -4.91 4.53 -3.59 1.42 7.64 -1.26 -4.72 113.62 112.73 1x0n n SER 90 Ca -0.05 -3.11 -0.27 0.00 1.01 0.00 0.00 58.87 56.45 1x0n n SER 90 Cb 0.16 -0.64 -0.11 0.00 -1.01 0.00 0.00 64.21 62.61 1x0n n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x0n n ALA 91 N -0.16 3.09 -2.08 -0.43 0.00 -1.26 -5.09 120.51 114.59 1x0n n ALA 91 Ca 0.29 -3.69 -0.42 0.00 0.00 0.00 0.00 53.44 49.62 1x0n n ALA 91 Cb 1.11 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 1x0n n ALA 91 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x0n s PRO 92 N -0.60 3.24 0.00 0.00 0.04 -1.26 -2.71 135.00 133.71 1x0n s PRO 92 Ca 0.30 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1x0n s PRO 92 Cb 0.01 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1x0n s PRO 92 CO -0.18 -1.97 0.00 0.41 0.04 0.00 0.00 177.00 175.29 1x0n n GLY 93 N 5.41 1.33 3.72 0.56 0.00 -1.26 -5.11 105.19 109.84 1x0n n GLY 93 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.98 6.79 -0.06 1.61 2.15 -1.10 -4.96 116.67 120.12 1x0n s ASP 94 Ca 0.00 0.95 0.05 0.00 0.43 0.00 0.00 52.55 53.97 1x0n s ASP 94 Cb 0.00 -2.33 -0.02 0.00 -0.30 0.00 0.00 42.92 40.27 1x0n s ASP 94 CO 0.00 -0.03 -0.20 -0.36 -0.17 0.00 0.00 175.17 174.41 1x0n s PHE 95 N 0.62 2.57 -0.07 -5.34 0.08 -1.26 -3.31 117.98 111.27 1x0n s PHE 95 Ca 0.30 -0.52 -0.01 0.00 0.12 0.00 0.00 56.93 56.82 1x0n s PHE 95 Cb -0.16 -1.64 0.03 0.00 -0.57 0.00 0.00 43.02 40.68 1x0n s PHE 95 CO 0.13 -0.08 0.00 -1.54 -0.10 0.00 0.00 175.22 173.63 1x0n s SER 96 N -0.29 1.45 0.24 1.36 1.04 -0.90 -2.71 113.70 113.90 1x0n s SER 96 Ca 0.01 -0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.26 1x0n s SER 96 Cb -0.13 -0.41 -0.07 0.00 0.10 0.00 0.00 66.02 65.50 1x0n s SER 96 CO 0.03 -0.18 0.57 -0.22 0.98 0.00 0.00 173.24 174.42 1x0n s LEU 97 N 1.86 4.16 -0.21 2.42 2.96 -1.00 -0.41 118.68 128.45 1x0n s LEU 97 Ca 0.03 0.97 -0.04 0.00 -0.22 0.00 0.00 54.13 54.88 1x0n s LEU 97 Cb -0.12 -3.71 0.07 0.00 0.50 0.00 0.00 46.19 42.92 1x0n s LEU 97 CO -0.05 -0.08 0.08 -0.55 -1.32 0.00 0.00 176.35 174.43 1x0n s SER 98 N -2.32 2.91 -0.13 3.68 0.15 0.10 -1.22 113.70 116.87 1x0n s SER 98 Ca 0.48 -0.90 -0.01 0.00 0.70 0.00 0.00 55.95 56.22 1x0n s SER 98 Cb -0.11 -0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 63.73 1x0n s SER 98 CO 0.21 -0.35 -0.10 -0.69 1.20 0.00 0.00 173.24 173.51 1x0n s VAL 99 N 1.98 3.38 0.15 4.45 1.01 0.37 -1.49 120.40 130.25 1x0n s VAL 99 Ca 0.03 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 1x0n s VAL 99 Cb -0.17 -2.44 -0.07 0.00 0.00 0.00 0.00 36.38 33.71 1x0n s VAL 99 CO -0.15 0.52 0.95 -0.75 0.00 0.00 0.00 175.10 175.67 1x0n s LYS 100 N 0.24 4.74 -0.30 2.72 2.20 -0.90 -0.36 119.74 128.08 1x0n s LYS 100 Ca -0.06 1.46 -0.01 0.00 -0.36 0.00 0.00 55.97 56.99 1x0n s LYS 100 Cb -0.15 -3.35 0.10 0.00 -1.51 0.00 0.00 37.83 32.92 1x0n s LYS 100 CO 0.04 0.30 0.10 -0.06 -0.36 0.00 0.00 175.35 175.37 1x0n s PHE 101 N -0.34 1.55 0.00 4.03 0.08 -0.38 -3.27 117.98 119.66 1x0n s PHE 101 Ca 0.45 -1.62 0.00 0.00 0.12 0.00 0.00 56.93 55.88 1x0n s PHE 101 Cb -0.24 -1.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 1x0n s PHE 101 CO 0.30 -0.86 0.00 0.41 -0.10 0.00 0.00 175.22 174.97 1x0n n GLY 102 N 4.89 1.35 0.31 4.36 0.00 -1.26 -1.81 105.19 113.03 1x0n n GLY 102 Ca -0.03 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1x0n n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x0n n ASN 103 N 10.29 2.69 -3.77 1.61 0.23 -1.26 -4.97 115.26 120.08 1x0n n ASN 103 Ca 0.00 -2.71 -0.18 0.00 -0.53 0.00 0.00 54.58 51.16 1x0n n ASN 103 Cb 0.00 -0.34 -0.17 0.00 -2.08 0.00 0.00 39.78 37.19 1x0n n ASN 103 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1x0n s ASP 104 N -2.04 0.62 0.01 0.53 1.01 -0.75 -5.13 116.67 110.91 1x0n s ASP 104 Ca 0.26 0.01 -0.27 0.00 0.71 0.00 0.00 52.55 53.26 1x0n s ASP 104 Cb 0.21 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.91 1x0n s ASP 104 CO 0.05 -0.15 0.83 -0.69 0.21 0.00 0.00 175.17 175.42 1x0n s VAL 105 N 1.38 4.84 0.46 -1.27 1.01 -1.26 -1.24 120.40 124.31 1x0n s VAL 105 Ca -0.05 1.76 0.06 0.00 0.00 0.00 0.00 61.98 63.74 1x0n s VAL 105 Cb -0.13 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1x0n s VAL 105 CO -0.03 0.26 0.15 -1.10 0.00 0.00 0.00 175.10 174.39 1x0n s GLN 106 N 0.52 2.18 0.14 2.72 -1.52 0.52 -4.93 119.66 119.29 1x0n s GLN 106 Ca 0.43 -2.04 -0.20 0.00 -1.95 0.00 0.00 55.36 51.60 1x0n s GLN 106 Cb -0.20 -1.84 0.05 0.00 -0.22 0.00 0.00 33.01 30.80 1x0n s GLN 106 CO 0.24 -0.24 0.51 -3.38 -0.25 0.00 0.00 175.29 172.17 1x0n s HIS 107 N -2.71 -0.40 -0.05 0.91 -3.43 -1.26 -0.48 115.29 107.87 1x0n s HIS 107 Ca 0.31 0.16 0.02 0.00 -0.80 0.00 0.00 55.06 54.75 1x0n s HIS 107 Cb 0.03 0.42 0.01 0.00 -1.43 0.00 0.00 32.58 31.62 1x0n s HIS 107 CO 0.17 -0.78 -0.11 -0.06 -2.00 0.00 0.00 174.74 171.96 1x0n s PHE 108 N -3.68 1.31 -0.41 0.38 0.08 -0.36 -4.96 117.98 110.34 1x0n s PHE 108 Ca 0.01 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.33 1x0n s PHE 108 Cb 0.00 -0.96 0.02 0.00 -0.57 0.00 0.00 43.02 41.51 1x0n s PHE 108 CO -0.12 -0.23 1.17 0.15 -0.10 0.00 0.00 175.22 176.09 1x0n s LYS 109 N 0.56 3.83 0.02 0.44 -0.14 -1.26 -2.37 119.74 120.81 1x0n s LYS 109 Ca -0.12 0.82 -0.23 0.00 -1.36 0.00 0.00 55.97 55.09 1x0n s LYS 109 Cb -0.14 -3.87 -0.05 0.00 -1.68 0.00 0.00 37.83 32.09 1x0n s LYS 109 CO 0.03 -1.24 0.70 0.08 -0.76 0.00 0.00 175.35 174.15 1x0n s VAL 110 N 4.33 4.82 0.06 3.17 1.01 -1.10 -4.87 120.40 127.82 1x0n s VAL 110 Ca 0.50 1.47 0.05 0.00 0.00 0.00 0.00 61.98 63.99 1x0n s VAL 110 Cb -0.10 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1x0n s VAL 110 CO 0.26 0.38 -0.04 -0.76 0.00 0.00 0.00 175.10 174.94 1x0n s LEU 111 N -0.05 3.28 -0.06 3.92 1.02 -0.89 -4.50 118.68 121.41 1x0n s LEU 111 Ca 0.36 -0.21 0.02 0.00 0.02 0.00 0.00 54.13 54.32 1x0n s LEU 111 Cb -0.19 -1.99 0.01 0.00 0.02 0.00 0.00 46.19 44.04 1x0n s LEU 111 CO 0.20 0.21 -0.11 -0.13 0.02 0.00 0.00 176.35 176.55 1x0n s ARG 112 N -1.98 1.51 0.26 1.70 3.00 -1.26 -1.37 118.95 120.80 1x0n s ARG 112 Ca 0.22 -0.37 -0.03 0.00 0.00 0.00 0.00 55.73 55.55 1x0n s ARG 112 Cb -0.11 -1.28 -0.02 0.00 0.00 0.00 0.00 34.95 33.53 1x0n s ARG 112 CO 0.14 0.03 0.30 -0.51 0.00 0.00 0.00 175.30 175.26 1x0n s ASP 113 N 0.61 0.45 0.00 0.23 1.11 -1.01 -4.95 116.67 113.11 1x0n s ASP 113 Ca -0.12 -1.35 0.00 0.00 0.18 0.00 0.00 52.55 51.26 1x0n s ASP 113 Cb -0.15 0.51 0.00 0.00 1.07 0.00 0.00 42.92 44.35 1x0n s ASP 113 CO 0.03 -1.03 0.00 0.61 1.18 0.00 0.00 175.17 175.96 1x0n n GLY 114 N -0.40 1.45 1.05 0.21 0.00 -1.26 -3.06 105.19 103.17 1x0n n GLY 114 Ca 0.02 -0.02 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 -1.99 4.61 0.00 -1.26 -5.00 120.51 116.87 1x0n n ALA 115 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1x0n n ALA 115 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.28 0.79 3.71 0.00 0.00 -1.23 -5.12 105.19 102.07 1x0n n GLY 116 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 4.34 -0.15 1.61 1.02 -1.17 -4.55 119.74 120.84 1x0n s LYS 117 Ca 0.00 0.52 -0.07 0.00 0.02 0.00 0.00 55.97 56.44 1x0n s LYS 117 Cb 0.00 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1x0n s LYS 117 CO 0.00 0.11 0.11 0.71 -0.92 0.00 0.00 175.35 175.35 1x0n s TYR 118 N 0.77 3.44 0.22 3.18 1.51 -0.43 -2.42 117.35 123.62 1x0n s TYR 118 Ca 0.28 0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 56.65 1x0n s TYR 118 Cb -0.16 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1x0n s TYR 118 CO 0.12 0.49 0.25 -0.59 -1.11 0.00 0.00 175.55 174.70 1x0n s PHE 119 N -0.40 0.90 0.00 2.71 -0.71 -0.47 -0.56 117.98 119.45 1x0n s PHE 119 Ca 0.11 -1.16 0.00 0.00 -1.04 0.00 0.00 56.93 54.84 1x0n s PHE 119 Cb -0.12 -0.31 0.00 0.00 -1.21 0.00 0.00 43.02 41.39 1x0n s PHE 119 CO 0.01 -0.76 0.00 1.28 -1.34 0.00 0.00 175.22 174.41 1x0n n LEU 120 N -0.31 0.00 0.00 -1.99 4.32 -0.97 -2.09 117.00 115.96 1x0n n LEU 120 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 1x0n n LEU 120 Cb 0.65 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.45 1x0n n LEU 120 CO 0.29 0.00 0.00 0.79 -1.22 0.00 0.00 177.39 177.25 1x0n n TRP 121 N 0.00 0.00 -0.84 -1.77 7.02 -1.26 -4.84 117.44 115.75 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 -0.38 0.00 0.00 -2.42 0.00 0.00 31.31 28.51 1x0n n TRP 121 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1x0n n VAL 122 N -1.97 0.04 -4.22 -0.99 0.31 -1.26 -5.08 118.33 105.16 1x0n n VAL 122 Ca 0.00 -0.10 -0.34 0.00 -0.01 0.00 0.00 64.34 63.89 1x0n n VAL 122 Cb 0.00 1.60 -0.08 0.00 -0.91 0.00 0.00 33.84 34.45 1x0n n VAL 122 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1x0n s VAL 123 N -0.04 4.49 0.05 2.52 0.11 -1.26 -5.12 120.40 121.15 1x0n s VAL 123 Ca 0.00 -0.36 -0.03 0.00 -2.93 0.00 0.00 61.98 58.66 1x0n s VAL 123 Cb 0.00 -2.98 -0.03 0.00 -1.53 0.00 0.00 36.38 31.84 1x0n s VAL 123 CO 0.00 0.46 0.02 -1.59 -3.33 0.00 0.00 175.10 170.66 1x0n s LYS 124 N -1.35 0.62 0.27 1.54 -2.85 -1.26 -2.30 119.74 114.42 1x0n s LYS 124 Ca 0.18 -1.08 -0.05 0.00 -1.00 0.00 0.00 55.97 54.03 1x0n s LYS 124 Cb -0.12 0.22 0.02 0.00 -2.06 0.00 0.00 37.83 35.90 1x0n s LYS 124 CO 0.08 -0.13 0.45 1.19 0.10 0.00 0.00 175.35 177.04 1x0n n PHE 125 N 0.28 -1.52 -0.09 1.78 3.72 0.28 -4.97 117.46 116.94 1x0n n PHE 125 Ca -0.16 -1.61 -0.23 0.00 -0.05 0.00 0.00 57.45 55.41 1x0n n PHE 125 Cb 0.60 0.52 -0.12 0.00 -0.94 0.00 0.00 39.48 39.54 1x0n n PHE 125 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1x0n n ASN 126 N -1.61 1.99 -4.66 4.37 0.23 -1.26 -1.31 115.26 113.00 1x0n n ASN 126 Ca -0.02 0.17 -0.24 0.00 -0.53 0.00 0.00 54.58 53.96 1x0n n ASN 126 Cb 0.44 -0.73 -0.08 0.00 -2.08 0.00 0.00 39.78 37.33 1x0n n ASN 126 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1x0n s SER 127 N -6.96 4.36 0.26 0.53 1.04 -1.26 -4.36 113.70 107.31 1x0n s SER 127 Ca -0.32 -0.90 0.07 0.00 0.48 0.00 0.00 55.95 55.29 1x0n s SER 127 Cb 0.09 -0.62 0.31 0.00 0.10 0.00 0.00 66.02 65.91 1x0n s SER 127 CO 0.61 -0.24 1.59 -0.07 0.98 0.00 0.00 173.24 176.12 1x0n h LEU 128 N 1.73 0.15 -1.13 2.42 3.38 -1.94 -3.11 115.31 116.81 1x0n h LEU 128 Ca -0.43 -0.09 0.15 0.00 0.09 0.00 0.00 57.88 57.60 1x0n h LEU 128 Cb 1.25 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 1x0n h LEU 128 CO 0.65 0.71 0.61 -1.13 0.09 0.00 0.00 178.44 179.37 1x0n h ASN 129 N 0.10 0.77 -0.02 -0.43 -1.24 -2.00 0.31 115.58 113.08 1x0n h ASN 129 Ca -0.01 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.07 1x0n h ASN 129 Cb 1.09 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 40.04 1x0n h ASN 129 CO 0.09 0.36 0.02 -0.33 -1.29 0.00 0.00 177.43 176.28 1x0n h GLU 130 N 0.80 0.00 0.00 6.67 4.39 -1.97 -2.23 114.58 122.24 1x0n h GLU 130 Ca 0.50 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.13 1x0n h GLU 130 Cb 0.72 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1x0n h GLU 130 CO -0.27 0.00 -0.50 -0.07 -1.16 0.00 0.00 179.01 177.01 1x0n h LEU 131 N 0.00 0.00 -0.97 1.33 4.07 -0.55 -2.39 115.31 116.79 1x0n h LEU 131 Ca 0.01 -0.42 0.25 0.00 0.08 0.00 0.00 57.88 57.80 1x0n h LEU 131 Cb 0.06 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 41.67 1x0n h LEU 131 CO -0.00 0.99 0.53 0.58 -1.08 0.00 0.00 178.44 179.46 1x0n h VAL 132 N -1.00 0.49 0.03 1.22 2.07 -1.18 -1.50 116.25 116.38 1x0n h VAL 132 Ca -0.11 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1x0n h VAL 132 Cb 0.77 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1x0n h VAL 132 CO -0.06 0.09 -0.02 -0.78 0.02 0.00 0.00 177.57 176.82 1x0n h ASP 133 N 0.49 -0.04 -1.00 0.57 1.82 -1.56 -2.25 116.42 114.46 1x0n h ASP 133 Ca 0.63 -0.56 0.41 0.00 -0.39 0.00 0.00 57.03 57.12 1x0n h ASP 133 Cb 1.23 0.01 -0.18 0.00 0.68 0.00 0.00 39.33 41.07 1x0n h ASP 133 CO -0.51 0.71 0.50 0.00 -1.61 0.00 0.00 179.24 178.33 1x0n n TYR 134 N -4.73 1.12 0.09 0.28 4.19 -0.82 0.12 117.16 117.40 1x0n n TYR 134 Ca -0.07 1.18 -0.18 0.00 3.31 0.00 0.00 57.90 62.14 1x0n n TYR 134 Cb 0.29 -1.55 -0.14 0.00 0.49 0.00 0.00 39.34 38.43 1x0n n TYR 134 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1x0n h HIS 135 N 0.00 0.57 -0.11 2.98 3.86 -1.39 -1.47 115.15 119.59 1x0n h HIS 135 Ca 0.83 -0.42 0.03 0.00 -1.16 0.00 0.00 60.37 59.65 1x0n h HIS 135 Cb 2.16 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 30.61 1x0n h HIS 135 CO -0.05 1.42 0.36 -0.09 0.86 0.00 0.00 177.93 180.43 1x0n h ARG 136 N 0.09 0.00 0.00 2.45 1.12 0.15 -0.87 114.38 117.31 1x0n h ARG 136 Ca -0.23 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.61 1x0n h ARG 136 Cb 2.04 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.99 1x0n h ARG 136 CO 0.19 0.00 -1.31 0.45 -3.11 0.00 0.00 179.97 176.19 1x0n n SER 137 N -3.11 3.60 -4.64 -3.80 2.88 -0.74 -4.12 113.62 103.68 1x0n n SER 137 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1x0n n SER 137 Cb 0.44 1.09 -0.10 0.00 -0.75 0.00 0.00 64.21 64.89 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 -2.34 4.06 0.97 2.46 2.01 -0.34 -5.04 115.64 117.42 1x0n s THR 138 Ca -0.02 -0.36 -0.17 0.00 0.31 0.00 0.00 61.69 61.45 1x0n s THR 138 Cb 0.03 -2.69 -0.15 0.00 0.01 0.00 0.00 72.50 69.71 1x0n s THR 138 CO 0.25 0.59 -0.78 -1.54 -0.69 0.00 0.00 174.62 172.45 1x0n n SER 139 N 2.14 -5.89 0.00 3.53 3.41 -1.26 -4.44 113.62 111.11 1x0n n SER 139 Ca -0.18 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1x0n n SER 139 Cb 0.53 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 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 -2.43 0.00 -3.07 -3.33 0.31 -0.93 -4.87 118.33 104.00 1x0n n VAL 140 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.92 1x0n n VAL 140 Cb 0.55 -0.19 -0.06 0.00 -0.91 0.00 0.00 33.84 33.23 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 -3.33 7.20 0.00 4.52 0.15 -1.26 -4.95 113.70 116.03 1x0n s SER 141 Ca 0.00 1.43 0.28 0.00 0.70 0.00 0.00 55.95 58.36 1x0n s SER 141 Cb 0.00 -2.44 1.04 0.00 -1.71 0.00 0.00 66.02 62.91 1x0n s SER 141 CO 0.00 0.14 1.75 0.54 1.20 0.00 0.00 173.24 176.88 1x0n n ARG 142 N 2.19 0.41 -0.11 5.44 1.74 -1.26 -3.92 116.66 121.16 1x0n n ARG 142 Ca -0.06 -0.16 -0.23 0.00 -0.77 0.00 0.00 57.85 56.64 1x0n n ARG 142 Cb 0.50 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.33 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 -1.16 1.99 -3.96 0.55 4.13 -1.26 -5.04 115.26 110.51 1x0n n ASN 143 Ca 0.11 0.13 -0.25 0.00 1.68 0.00 0.00 54.58 56.25 1x0n n ASN 143 Cb 0.31 -0.68 -0.08 0.00 -1.54 0.00 0.00 39.78 37.79 1x0n n ASN 143 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1x0n s GLN 144 N -2.51 1.94 -0.55 3.52 -0.21 -1.25 -5.11 119.66 115.48 1x0n s GLN 144 Ca -0.33 -2.18 -0.16 0.00 0.02 0.00 0.00 55.36 52.70 1x0n s GLN 144 Cb 0.10 -0.45 0.13 0.00 1.00 0.00 0.00 33.01 33.79 1x0n s GLN 144 CO 0.60 -0.53 0.54 -0.65 -2.12 0.00 0.00 175.29 173.12 1x0n s GLN 145 N -3.64 3.01 0.12 2.91 -0.21 -1.26 -4.15 119.66 116.44 1x0n s GLN 145 Ca 0.25 -1.66 0.07 0.00 0.02 0.00 0.00 55.36 54.04 1x0n s GLN 145 Cb 0.02 -4.30 -0.04 0.00 1.00 0.00 0.00 33.01 29.69 1x0n s GLN 145 CO 0.17 -1.37 -0.17 0.42 -2.12 0.00 0.00 175.29 172.23 1x0n s ILE 146 N 1.75 1.52 0.04 1.08 1.01 -1.26 -5.03 121.20 120.31 1x0n s ILE 146 Ca 0.05 -1.69 0.06 0.00 0.00 0.00 0.00 60.65 59.07 1x0n s ILE 146 Cb -0.29 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 1x0n s ILE 146 CO 0.03 -0.29 -0.15 -0.36 0.00 0.00 0.00 174.94 174.17 1x0n s PHE 147 N -1.81 2.65 -0.32 3.97 0.08 -1.26 -2.19 117.98 119.10 1x0n s PHE 147 Ca 0.09 -0.20 -0.28 0.00 0.12 0.00 0.00 56.93 56.66 1x0n s PHE 147 Cb -0.07 -1.49 -0.03 0.00 -0.57 0.00 0.00 43.02 40.86 1x0n s PHE 147 CO 0.04 0.30 1.91 -1.17 -0.10 0.00 0.00 175.22 176.20 1x0n s LEU 148 N -1.50 3.48 0.09 -0.37 2.96 -1.16 -4.65 118.68 117.52 1x0n s LEU 148 Ca 0.16 1.38 -0.20 0.00 -0.22 0.00 0.00 54.13 55.25 1x0n s LEU 148 Cb -0.11 -3.44 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 1x0n s LEU 148 CO 0.07 -1.83 0.60 -0.13 -1.32 0.00 0.00 176.35 173.74 1x0n s ARG 149 N 5.94 4.25 -0.33 1.98 1.81 0.45 -4.26 118.95 128.79 1x0n s ARG 149 Ca 0.84 0.79 -0.29 0.00 -1.72 0.00 0.00 55.73 55.36 1x0n s ARG 149 Cb -0.24 -3.24 -0.01 0.00 -0.45 0.00 0.00 34.95 31.01 1x0n s ARG 149 CO 0.33 0.63 1.58 0.34 -0.68 0.00 0.00 175.30 177.50 1x0n s ASP 150 N -1.12 6.23 0.48 0.23 2.15 -1.26 -2.29 116.67 121.09 1x0n s ASP 150 Ca 0.30 1.20 -0.24 0.00 0.43 0.00 0.00 52.55 54.24 1x0n s ASP 150 Cb -0.20 -2.53 -0.08 0.00 -0.30 0.00 0.00 42.92 39.81 1x0n s ASP 150 CO 0.20 -1.45 1.34 0.00 -0.17 0.00 0.00 175.17 175.08 1x0n n ILE 151 N 6.97 3.07 -2.56 4.11 3.06 -1.26 -4.87 119.36 127.87 1x0n n ILE 151 Ca 0.19 -0.50 -0.43 0.00 -2.50 0.00 0.00 62.75 59.51 1x0n n ILE 151 Cb 0.47 -1.67 0.00 0.00 0.54 0.00 0.00 39.64 38.98 1x0n n ILE 151 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1x0n n GLU 152 N -0.40 3.19 -1.69 9.51 4.71 -1.26 -4.45 120.64 130.26 1x0n n GLU 152 Ca 0.08 -3.27 -0.32 0.00 -0.01 0.00 0.00 57.16 53.63 1x0n n GLU 152 Cb 0.42 -3.49 0.05 0.00 -1.01 0.00 0.00 31.44 27.41 1x0n n GLU 152 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1x0n s GLN 153 N 4.16 2.84 -0.11 3.49 0.74 -1.26 -4.89 119.66 124.63 1x0n s GLN 153 Ca 0.54 1.21 -0.41 0.00 0.05 0.00 0.00 55.36 56.75 1x0n s GLN 153 Cb 0.04 -1.97 -0.19 0.00 1.10 0.00 0.00 33.01 31.99 1x0n s GLN 153 CO 0.07 -1.19 1.30 1.55 -0.55 0.00 0.00 175.29 176.47 1x0n n VAL 154 N -2.70 0.03 -2.07 1.34 3.14 -1.26 -4.89 118.33 111.93 1x0n n VAL 154 Ca 0.09 -0.01 -0.34 0.00 -2.96 0.00 0.00 64.34 61.12 1x0n n VAL 154 Cb 0.53 -0.39 0.02 0.00 -1.06 0.00 0.00 33.84 32.93 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 1.06 3.15 -0.33 1.45 0.04 -1.26 -5.02 135.00 134.08 1x0n s PRO 155 Ca 0.93 1.52 -0.08 0.00 0.04 0.00 0.00 61.00 63.41 1x0n s PRO 155 Cb -1.23 -1.99 0.20 0.00 0.04 0.00 0.00 34.50 31.53 1x0n s PRO 155 CO 0.61 -1.00 1.10 -1.14 0.04 0.00 0.00 177.00 176.61 1x0n s GLN 156 N -3.60 0.16 -0.12 4.56 0.74 -1.26 -5.17 119.66 114.97 1x0n s GLN 156 Ca 0.70 -0.12 -0.11 0.00 0.05 0.00 0.00 55.36 55.88 1x0n s GLN 156 Cb -0.22 0.00 0.03 0.00 1.10 0.00 0.00 33.01 33.92 1x0n s GLN 156 CO 0.32 -0.21 0.32 -1.14 -0.55 0.00 0.00 175.29 174.04 1x0n s GLN 157 N 1.38 0.37 0.86 1.67 0.74 -1.26 -5.17 119.66 118.25 1x0n s GLN 157 Ca 0.20 0.47 -0.11 0.00 0.05 0.00 0.00 55.36 55.97 1x0n s GLN 157 Cb 0.09 0.15 0.11 0.00 1.10 0.00 0.00 33.01 34.46 1x0n s GLN 157 CO -0.13 -0.06 1.09 -1.25 -0.55 0.00 0.00 175.29 174.40 1x0n s PRO 158 N 0.30 1.57 0.00 1.67 0.04 -1.26 -5.36 135.00 131.97 1x0n s PRO 158 Ca -0.01 0.93 0.30 0.00 0.04 0.00 0.00 61.00 62.25 1x0n s PRO 158 Cb -0.03 -1.84 1.44 0.00 0.04 0.00 0.00 34.50 34.11 1x0n s PRO 158 CO -0.01 -2.05 1.96 -2.37 0.04 0.00 0.00 177.00 174.57