#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 3.64 -0.03 -2.67 5.36 -1.26 -1.66 117.98 121.36 1x0n s PHE 61 Ca 0.00 1.11 0.02 0.00 -0.96 0.00 0.00 56.93 57.10 1x0n s PHE 61 Cb 0.00 -2.40 0.01 0.00 -0.34 0.00 0.00 43.02 40.29 1x0n s PHE 61 CO 0.00 0.45 -0.08 -0.06 -1.46 0.00 0.00 175.22 174.08 1x0n s PHE 62 N -1.41 0.84 0.00 10.12 0.40 0.39 -4.95 117.98 123.37 1x0n s PHE 62 Ca 0.36 -0.21 0.00 0.00 -0.60 0.00 0.00 56.93 56.49 1x0n s PHE 62 Cb -0.16 -0.62 0.00 0.00 0.51 0.00 0.00 43.02 42.75 1x0n s PHE 62 CO 0.19 -0.11 0.00 0.41 0.70 0.00 0.00 175.22 176.41 1x0n n GLY 63 N 3.40 -0.84 2.98 4.36 0.00 -1.26 -1.71 105.19 112.12 1x0n n GLY 63 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1x0n n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0n s LYS 64 N 0.00 1.76 0.00 1.61 1.02 -1.23 -0.65 119.74 122.25 1x0n s LYS 64 Ca 0.00 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.77 1x0n s LYS 64 Cb 0.00 -2.73 -0.00 0.00 -0.52 0.00 0.00 37.83 34.58 1x0n s LYS 64 CO 0.00 -0.65 -0.00 0.96 -0.92 0.00 0.00 175.35 174.74 1x0n s ILE 65 N 1.25 0.02 0.42 2.17 -5.25 -1.26 -5.03 121.20 113.52 1x0n s ILE 65 Ca -0.04 -0.05 -0.24 0.00 -0.99 0.00 0.00 60.65 59.33 1x0n s ILE 65 Cb -0.19 -0.03 -0.08 0.00 2.95 0.00 0.00 42.46 45.11 1x0n s ILE 65 CO -0.07 -0.02 1.18 -2.16 -1.79 0.00 0.00 174.94 172.08 1x0n s PRO 66 N -0.07 3.93 0.40 0.37 0.04 -1.26 -4.83 135.00 133.57 1x0n s PRO 66 Ca -0.01 1.84 0.28 0.00 0.04 0.00 0.00 61.00 63.16 1x0n s PRO 66 Cb -0.00 -2.57 1.37 0.00 0.04 0.00 0.00 34.50 33.33 1x0n s PRO 66 CO -0.00 -0.43 1.47 2.89 0.04 0.00 0.00 177.00 180.97 1x0n n ARG 67 N -0.15 -0.04 0.42 4.56 1.85 -1.26 0.18 116.66 122.23 1x0n n ARG 67 Ca 0.05 1.20 -0.19 0.00 -1.00 0.00 0.00 57.85 57.92 1x0n n ARG 67 Cb 0.47 -2.32 -0.09 0.00 -1.05 0.00 0.00 32.46 29.47 1x0n n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1x0n h ALA 68 N 1.58 -1.06 -0.91 2.89 0.00 -2.00 -2.15 119.26 117.60 1x0n h ALA 68 Ca 0.82 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 55.73 1x0n h ALA 68 Cb 2.54 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 20.61 1x0n h ALA 68 CO -0.50 -1.08 0.41 -0.22 0.00 0.00 0.00 179.25 177.86 1x0n h LYS 69 N -1.09 0.37 0.11 0.00 1.63 -0.61 -0.09 116.57 116.90 1x0n h LYS 69 Ca -0.11 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 1x0n h LYS 69 Cb 0.82 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1x0n h LYS 69 CO 0.18 0.25 -0.05 0.00 -3.45 0.00 0.00 179.45 176.37 1x0n h ALA 70 N 1.73 -0.15 -0.94 5.00 0.00 -1.25 -1.86 119.26 121.78 1x0n h ALA 70 Ca 0.58 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.68 1x0n h ALA 70 Cb 1.14 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1x0n h ALA 70 CO -0.55 -0.58 0.63 0.93 0.00 0.00 0.00 179.25 179.68 1x0n h GLU 71 N -0.16 0.33 -0.06 0.00 5.08 -0.36 -0.61 114.58 118.79 1x0n h GLU 71 Ca -0.02 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1x0n h GLU 71 Cb 0.13 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1x0n h GLU 71 CO 0.03 0.22 -0.15 0.93 -1.00 0.00 0.00 179.01 179.03 1x0n h GLU 72 N 0.34 0.22 -0.75 2.33 4.39 -0.91 0.13 114.58 120.33 1x0n h GLU 72 Ca 0.49 -0.15 0.19 0.00 0.34 0.00 0.00 59.36 60.23 1x0n h GLU 72 Cb 1.35 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.98 1x0n h GLU 72 CO -0.17 0.75 0.52 0.52 -1.16 0.00 0.00 179.01 179.46 1x0n h MET 73 N -0.28 0.20 0.07 2.33 2.86 -0.34 0.15 114.93 119.92 1x0n h MET 73 Ca -0.00 -0.01 -0.27 0.00 -2.06 0.00 0.00 59.70 57.36 1x0n h MET 73 Cb 0.75 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1x0n h MET 73 CO 0.03 0.13 -1.42 -0.07 1.06 0.00 0.00 176.91 176.64 1x0n h LEU 74 N 0.20 0.23 0.09 1.22 3.38 -1.35 -3.36 115.31 115.73 1x0n h LEU 74 Ca 0.37 -0.76 0.02 0.00 0.09 0.00 0.00 57.88 57.59 1x0n h LEU 74 Cb 1.15 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1x0n h LEU 74 CO -0.07 1.60 -0.20 0.28 0.09 0.00 0.00 178.44 180.13 1x0n h SER 75 N -0.50 -0.57 -0.14 -0.43 0.02 -0.07 -0.44 113.55 111.41 1x0n h SER 75 Ca -0.33 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 60.73 1x0n h SER 75 Cb 1.62 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 64.38 1x0n h SER 75 CO -0.03 -0.28 0.55 0.07 -1.14 0.00 0.00 176.83 175.99 1x0n h LYS 76 N -0.38 0.00 0.00 3.45 2.10 -0.91 -3.41 116.57 117.43 1x0n h LYS 76 Ca 0.03 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.38 1x0n h LYS 76 Cb 0.40 0.00 0.15 0.00 -0.90 0.00 0.00 32.23 31.88 1x0n h LYS 76 CO -0.12 0.00 0.07 1.04 -2.00 0.00 0.00 179.45 178.44 1x0n n GLN 77 N -2.98 -2.76 0.00 0.07 1.13 -0.18 -5.03 117.38 107.64 1x0n n GLN 77 Ca 0.02 -1.30 0.00 0.00 -1.94 0.00 0.00 57.00 53.78 1x0n n GLN 77 Cb 0.63 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.72 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 -4.10 1.20 -0.51 -1.09 5.12 -1.26 -5.07 116.66 110.94 1x0n n ARG 78 Ca 0.11 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.77 1x0n n ARG 78 Cb 0.45 -0.85 0.24 0.00 -1.16 0.00 0.00 32.46 31.13 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 -1.91 -3.66 -4.02 -1.55 8.25 -1.26 -5.03 115.22 106.03 1x0n n HIS 79 Ca 0.00 -0.77 -0.31 0.00 -0.26 0.00 0.00 57.72 56.38 1x0n n HIS 79 Cb 0.35 -1.04 -0.16 0.00 1.12 0.00 0.00 29.99 30.26 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 -3.45 3.48 0.00 0.41 1.11 -1.26 -4.68 116.67 112.28 1x0n s ASP 80 Ca 0.59 -0.91 0.00 0.00 0.18 0.00 0.00 52.55 52.41 1x0n s ASP 80 Cb -0.08 -1.31 0.00 0.00 1.07 0.00 0.00 42.92 42.60 1x0n s ASP 80 CO 0.48 -0.13 0.00 0.61 1.18 0.00 0.00 175.17 177.31 1x0n n GLY 81 N 4.64 1.79 3.63 0.21 0.00 -1.24 -4.61 105.19 109.61 1x0n n GLY 81 Ca -0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.34 1.55 -2.80 4.61 0.00 -1.26 -0.23 120.51 122.03 1x0n n ALA 82 Ca 0.00 0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 1x0n n ALA 82 Cb 0.00 -2.75 -0.06 0.00 0.00 0.00 0.00 19.45 16.64 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 6.11 3.25 -0.24 0.00 -0.71 -1.17 -2.19 117.98 123.04 1x0n s PHE 83 Ca 0.95 0.12 -0.10 0.00 -1.04 0.00 0.00 56.93 56.86 1x0n s PHE 83 Cb -0.45 -1.66 0.10 0.00 -1.21 0.00 0.00 43.02 39.80 1x0n s PHE 83 CO 0.41 0.54 0.55 -1.17 -1.34 0.00 0.00 175.22 174.20 1x0n s LEU 84 N -2.35 -0.77 -0.14 -1.99 0.20 -0.01 -4.38 118.68 109.24 1x0n s LEU 84 Ca 0.30 1.27 -0.07 0.00 0.69 0.00 0.00 54.13 56.31 1x0n s LEU 84 Cb -0.12 1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 47.46 1x0n s LEU 84 CO 0.22 -0.22 0.12 -0.63 -0.29 0.00 0.00 176.35 175.55 1x0n s ILE 85 N 2.29 5.31 0.21 6.68 1.01 -0.66 -0.38 121.20 135.65 1x0n s ILE 85 Ca -0.06 0.14 0.11 0.00 0.00 0.00 0.00 60.65 60.84 1x0n s ILE 85 Cb -0.10 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 1x0n s ILE 85 CO -0.16 0.56 -0.22 0.00 0.00 0.00 0.00 174.94 175.12 1x0n s ARG 86 N -0.56 1.52 0.13 2.79 3.03 -0.32 -0.46 118.95 125.08 1x0n s ARG 86 Ca 0.12 -1.56 0.09 0.00 2.03 0.00 0.00 55.73 56.41 1x0n s ARG 86 Cb -0.12 -1.75 -0.04 0.00 -1.03 0.00 0.00 34.95 32.02 1x0n s ARG 86 CO 0.02 0.36 -0.21 -2.00 -1.13 0.00 0.00 175.30 172.34 1x0n s GLU 87 N -2.88 1.22 1.12 3.89 2.12 0.17 -2.17 118.70 122.17 1x0n s GLU 87 Ca 0.22 -1.27 -0.17 0.00 0.36 0.00 0.00 54.97 54.11 1x0n s GLU 87 Cb -0.07 -1.47 0.25 0.00 0.26 0.00 0.00 34.13 33.10 1x0n s GLU 87 CO 0.10 0.33 1.13 -1.12 -0.54 0.00 0.00 175.26 175.16 1x0n s SER 88 N -2.17 1.68 -0.22 -1.70 0.01 -1.23 -3.50 113.70 106.57 1x0n s SER 88 Ca 0.11 0.74 -0.05 0.00 1.31 0.00 0.00 55.95 58.05 1x0n s SER 88 Cb -0.09 -1.08 -0.11 0.00 0.21 0.00 0.00 66.02 64.94 1x0n s SER 88 CO 0.05 -3.67 -0.24 -1.84 0.41 0.00 0.00 173.24 167.96 1x0n n GLU 89 N -4.47 0.49 0.00 12.44 0.28 -1.26 -4.60 120.64 123.52 1x0n n GLU 89 Ca 0.11 0.17 0.10 0.00 -0.16 0.00 0.00 57.16 57.38 1x0n n GLU 89 Cb 0.59 -1.35 -0.08 0.00 1.43 0.00 0.00 31.44 32.03 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 -3.58 1.33 -4.12 -1.84 7.64 -1.26 -4.75 113.62 107.05 1x0n n SER 90 Ca -0.41 -1.17 -0.37 0.00 1.01 0.00 0.00 58.87 57.93 1x0n n SER 90 Cb 0.85 0.82 -0.09 0.00 -1.01 0.00 0.00 64.21 64.78 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 -2.77 3.54 0.19 -0.43 0.00 -1.26 -5.08 121.76 115.95 1x0n s ALA 91 Ca 0.11 -3.12 -0.30 0.00 0.00 0.00 0.00 51.96 48.66 1x0n s ALA 91 Cb 0.16 -2.69 -0.09 0.00 0.00 0.00 0.00 23.12 20.51 1x0n s ALA 91 CO 0.75 -2.06 1.31 -1.25 0.00 0.00 0.00 175.76 174.51 1x0n s PRO 92 N 0.21 4.39 0.00 0.00 0.04 -1.26 -2.88 135.00 135.50 1x0n s PRO 92 Ca 0.15 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1x0n s PRO 92 Cb -0.20 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1x0n s PRO 92 CO -0.04 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1x0n n GLY 93 N 2.39 2.51 3.69 0.56 0.00 -1.26 -5.03 105.19 108.05 1x0n n GLY 93 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.43 6.83 0.00 1.61 2.15 -1.14 -4.95 116.67 119.75 1x0n s ASP 94 Ca 0.00 2.15 0.00 0.00 0.43 0.00 0.00 52.55 55.13 1x0n s ASP 94 Cb 0.00 -2.56 -0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1x0n s ASP 94 CO 0.00 -0.73 -0.02 -0.36 -0.17 0.00 0.00 175.17 173.89 1x0n s PHE 95 N 2.39 0.18 -0.11 -5.34 0.08 -1.26 -3.51 117.98 110.40 1x0n s PHE 95 Ca 0.65 -0.12 -0.06 0.00 0.12 0.00 0.00 56.93 57.52 1x0n s PHE 95 Cb -0.32 -0.12 0.05 0.00 -0.57 0.00 0.00 43.02 42.06 1x0n s PHE 95 CO 0.27 -0.03 0.26 -1.12 -0.10 0.00 0.00 175.22 174.50 1x0n s SER 96 N -0.31 -0.29 0.37 1.36 0.01 -0.92 -2.47 113.70 111.46 1x0n s SER 96 Ca -0.02 0.56 -0.09 0.00 1.31 0.00 0.00 55.95 57.71 1x0n s SER 96 Cb -0.02 0.45 -0.06 0.00 0.21 0.00 0.00 66.02 66.60 1x0n s SER 96 CO -0.00 -0.16 0.70 -0.22 0.41 0.00 0.00 173.24 173.97 1x0n s LEU 97 N 1.16 3.90 -0.21 2.44 2.96 -0.79 -1.17 118.68 126.97 1x0n s LEU 97 Ca -0.08 1.00 -0.04 0.00 -0.22 0.00 0.00 54.13 54.78 1x0n s LEU 97 Cb -0.09 -3.86 0.08 0.00 0.50 0.00 0.00 46.19 42.81 1x0n s LEU 97 CO -0.08 -0.34 0.14 -0.94 -1.32 0.00 0.00 176.35 173.81 1x0n s SER 98 N -3.18 2.30 0.01 3.68 1.04 0.48 -1.20 113.70 116.83 1x0n s SER 98 Ca 0.49 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 56.28 1x0n s SER 98 Cb -0.10 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 1x0n s SER 98 CO 0.31 -0.36 0.02 -0.69 0.98 0.00 0.00 173.24 173.50 1x0n s VAL 99 N 2.19 4.27 -0.23 5.02 1.01 -0.13 -0.83 120.40 131.70 1x0n s VAL 99 Ca 0.05 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 1x0n s VAL 99 Cb -0.16 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 1x0n s VAL 99 CO -0.17 0.34 0.44 -0.75 0.00 0.00 0.00 175.10 174.97 1x0n s LYS 100 N -1.68 4.12 -0.39 2.72 2.20 -0.93 -0.74 119.74 125.04 1x0n s LYS 100 Ca 0.21 0.23 0.03 0.00 -0.36 0.00 0.00 55.97 56.08 1x0n s LYS 100 Cb -0.12 -3.59 0.11 0.00 -1.51 0.00 0.00 37.83 32.72 1x0n s LYS 100 CO 0.12 -0.19 0.14 -0.06 -0.36 0.00 0.00 175.35 175.00 1x0n s PHE 101 N 1.77 2.97 0.00 4.03 0.08 0.52 -3.66 117.98 123.70 1x0n s PHE 101 Ca 0.19 -2.72 0.00 0.00 0.12 0.00 0.00 56.93 54.52 1x0n s PHE 101 Cb -0.15 -2.52 0.00 0.00 -0.57 0.00 0.00 43.02 39.78 1x0n s PHE 101 CO 0.09 -0.86 0.00 0.41 -0.10 0.00 0.00 175.22 174.76 1x0n n GLY 102 N 3.98 3.03 1.46 4.36 0.00 -1.26 -1.88 105.19 114.89 1x0n n GLY 102 Ca 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 5.75 3.62 -3.85 1.61 5.15 -1.26 -4.85 115.26 121.44 1x0n n ASN 103 Ca 0.00 -2.69 -0.12 0.00 -0.60 0.00 0.00 54.58 51.17 1x0n n ASN 103 Cb 0.00 -0.64 -0.11 0.00 -0.53 0.00 0.00 39.78 38.49 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 -0.40 -0.06 -0.25 1.20 1.11 -0.79 -5.14 116.67 112.35 1x0n s ASP 104 Ca 0.32 0.05 -0.06 0.00 0.18 0.00 0.00 52.55 53.04 1x0n s ASP 104 Cb 0.25 0.25 -0.01 0.00 1.07 0.00 0.00 42.92 44.48 1x0n s ASP 104 CO 0.08 -0.19 0.03 -0.69 1.18 0.00 0.00 175.17 175.58 1x0n s VAL 105 N -0.57 3.81 0.48 -1.27 1.01 -1.26 -0.36 120.40 122.23 1x0n s VAL 105 Ca -0.07 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.52 1x0n s VAL 105 Cb -0.04 -2.83 0.02 0.00 0.00 0.00 0.00 36.38 33.54 1x0n s VAL 105 CO 0.01 0.29 0.55 -1.10 0.00 0.00 0.00 175.10 174.84 1x0n s GLN 106 N 1.52 2.52 0.26 2.72 -1.52 0.08 -4.97 119.66 120.27 1x0n s GLN 106 Ca 0.05 -1.54 -0.14 0.00 -1.95 0.00 0.00 55.36 51.78 1x0n s GLN 106 Cb -0.15 -2.52 0.00 0.00 -0.22 0.00 0.00 33.01 30.11 1x0n s GLN 106 CO 0.00 -0.45 0.52 -3.38 -0.25 0.00 0.00 175.29 171.73 1x0n s HIS 107 N -2.53 0.29 -0.07 0.91 -3.43 -1.26 -0.95 115.29 108.25 1x0n s HIS 107 Ca 0.52 -0.67 -0.03 0.00 -0.80 0.00 0.00 55.06 54.08 1x0n s HIS 107 Cb -0.06 0.27 0.04 0.00 -1.43 0.00 0.00 32.58 31.40 1x0n s HIS 107 CO 0.31 -1.04 0.10 -0.06 -2.00 0.00 0.00 174.74 172.05 1x0n s PHE 108 N -3.96 -0.00 -0.32 0.38 0.08 -0.34 -4.95 117.98 108.86 1x0n s PHE 108 Ca 0.21 0.30 -0.29 0.00 0.12 0.00 0.00 56.93 57.27 1x0n s PHE 108 Cb -0.02 -0.44 -0.01 0.00 -0.57 0.00 0.00 43.02 41.99 1x0n s PHE 108 CO 0.09 -0.26 1.64 0.15 -0.10 0.00 0.00 175.22 176.74 1x0n s LYS 109 N 2.21 3.52 0.28 0.44 -0.14 -1.26 -1.88 119.74 122.91 1x0n s LYS 109 Ca 0.04 1.36 -0.29 0.00 -1.36 0.00 0.00 55.97 55.72 1x0n s LYS 109 Cb -0.13 -4.11 -0.09 0.00 -1.68 0.00 0.00 37.83 31.82 1x0n s LYS 109 CO -0.05 -1.63 1.04 0.08 -0.76 0.00 0.00 175.35 174.04 1x0n s VAL 110 N 6.04 3.70 0.12 3.17 1.01 -1.03 -4.92 120.40 128.50 1x0n s VAL 110 Ca 0.73 1.66 0.00 0.00 0.00 0.00 0.00 61.98 64.37 1x0n s VAL 110 Cb -0.21 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1x0n s VAL 110 CO 0.32 0.35 0.28 -0.76 0.00 0.00 0.00 175.10 175.29 1x0n s LEU 111 N -1.53 4.32 0.04 3.92 2.01 -0.02 -4.67 118.68 122.76 1x0n s LEU 111 Ca 0.45 0.28 0.06 0.00 0.01 0.00 0.00 54.13 54.93 1x0n s LEU 111 Cb -0.29 -3.00 -0.02 0.00 0.01 0.00 0.00 46.19 42.89 1x0n s LEU 111 CO 0.36 0.08 -0.16 -0.13 1.01 0.00 0.00 176.35 177.51 1x0n s ARG 112 N -2.91 1.09 0.57 1.70 3.00 -1.26 -1.92 118.95 119.22 1x0n s ARG 112 Ca 0.36 -0.82 0.04 0.00 0.00 0.00 0.00 55.73 55.30 1x0n s ARG 112 Cb -0.12 -1.14 0.06 0.00 0.00 0.00 0.00 34.95 33.76 1x0n s ARG 112 CO 0.28 0.28 0.79 0.34 0.00 0.00 0.00 175.30 176.99 1x0n s ASP 113 N -1.16 5.09 -0.07 0.23 2.15 -0.62 -4.97 116.67 117.32 1x0n s ASP 113 Ca 0.04 -0.37 0.01 0.00 0.43 0.00 0.00 52.55 52.65 1x0n s ASP 113 Cb -0.08 -0.36 0.11 0.00 -0.30 0.00 0.00 42.92 42.29 1x0n s ASP 113 CO 0.01 -1.28 1.09 0.61 -0.17 0.00 0.00 175.17 175.43 1x0n n GLY 114 N -2.34 2.31 0.00 2.66 0.00 -1.26 -3.62 105.19 102.95 1x0n n GLY 114 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.23 1.87 0.00 4.61 0.00 -1.26 -5.06 120.51 120.91 1x0n n ALA 115 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1x0n n ALA 115 Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 1.47 0.35 3.62 0.00 0.00 -1.24 -5.16 105.19 104.23 1x0n n GLY 116 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 2.26 -0.04 1.61 3.01 -1.26 -4.78 119.74 120.54 1x0n s LYS 117 Ca 0.00 -0.97 0.04 0.00 -1.01 0.00 0.00 55.97 54.03 1x0n s LYS 117 Cb 0.00 -2.38 -0.03 0.00 -1.01 0.00 0.00 37.83 34.42 1x0n s LYS 117 CO 0.00 0.51 -0.15 0.71 0.51 0.00 0.00 175.35 176.93 1x0n s TYR 118 N -1.27 2.67 0.29 3.18 2.02 -0.80 -1.59 117.35 121.84 1x0n s TYR 118 Ca 0.23 -0.18 -0.11 0.00 -0.37 0.00 0.00 57.07 56.64 1x0n s TYR 118 Cb -0.11 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 39.84 1x0n s TYR 118 CO 0.15 0.17 0.53 -0.59 -1.57 0.00 0.00 175.55 174.25 1x0n s PHE 119 N -0.74 0.46 0.00 2.71 -0.71 -0.81 -0.74 117.98 118.17 1x0n s PHE 119 Ca 0.12 -0.84 0.00 0.00 -1.04 0.00 0.00 56.93 55.17 1x0n s PHE 119 Cb -0.11 0.24 0.00 0.00 -1.21 0.00 0.00 43.02 41.94 1x0n s PHE 119 CO 0.01 -1.11 0.00 1.28 -1.34 0.00 0.00 175.22 174.05 1x0n n LEU 120 N -0.45 0.00 0.00 -1.99 4.32 -1.09 -0.84 117.00 116.94 1x0n n LEU 120 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1x0n n LEU 120 Cb 0.61 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 1x0n n LEU 120 CO 0.24 0.00 0.00 0.79 -1.22 0.00 0.00 177.39 177.20 1x0n n TRP 121 N -0.40 0.00 -0.72 -1.77 7.02 -1.26 -4.87 117.44 115.45 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 -0.15 0.00 0.00 -2.42 0.00 0.00 31.31 28.74 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 -1.47 0.15 -4.40 -0.99 3.14 -1.26 -5.07 118.33 108.44 1x0n n VAL 122 Ca 0.00 -0.22 -0.35 0.00 -2.96 0.00 0.00 64.34 60.82 1x0n n VAL 122 Cb 0.00 1.26 -0.10 0.00 -1.06 0.00 0.00 33.84 33.94 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 -0.15 4.23 0.12 1.55 0.11 -1.26 -5.12 120.40 119.87 1x0n s VAL 123 Ca 0.00 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 58.77 1x0n s VAL 123 Cb 0.00 -2.78 -0.04 0.00 -1.53 0.00 0.00 36.38 32.03 1x0n s VAL 123 CO 0.00 0.59 -0.07 -1.59 -3.33 0.00 0.00 175.10 170.70 1x0n s LYS 124 N -0.94 0.92 0.27 1.54 0.00 -1.26 -2.69 119.74 117.58 1x0n s LYS 124 Ca 0.14 -1.39 -0.07 0.00 0.00 0.00 0.00 55.97 54.65 1x0n s LYS 124 Cb -0.11 -0.31 0.03 0.00 0.00 0.00 0.00 37.83 37.44 1x0n s LYS 124 CO 0.03 -0.01 0.48 1.19 0.00 0.00 0.00 175.35 177.04 1x0n n PHE 125 N -0.10 -1.70 -0.11 1.78 3.72 0.08 -4.99 117.46 116.15 1x0n n PHE 125 Ca -0.11 -1.41 -0.22 0.00 -0.05 0.00 0.00 57.45 55.66 1x0n n PHE 125 Cb 0.61 0.56 -0.11 0.00 -0.94 0.00 0.00 39.48 39.60 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 -1.50 1.87 -4.88 4.37 0.23 -1.26 -1.91 115.26 112.18 1x0n n ASN 126 Ca -0.04 0.42 -0.28 0.00 -0.53 0.00 0.00 54.58 54.15 1x0n n ASN 126 Cb 0.41 -0.95 -0.02 0.00 -2.08 0.00 0.00 39.78 37.15 1x0n n ASN 126 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1x0n s SER 127 N -6.90 4.54 0.07 0.53 0.15 -1.26 -4.39 113.70 106.44 1x0n s SER 127 Ca -0.30 -1.33 0.01 0.00 0.70 0.00 0.00 55.95 55.04 1x0n s SER 127 Cb 0.07 0.48 -0.25 0.00 -1.71 0.00 0.00 66.02 64.60 1x0n s SER 127 CO 0.57 -1.08 1.12 -0.07 1.20 0.00 0.00 173.24 174.98 1x0n h LEU 128 N 0.83 0.23 -0.92 3.45 3.38 -1.97 -3.31 115.31 116.99 1x0n h LEU 128 Ca -0.38 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.40 1x0n h LEU 128 Cb 1.31 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.92 1x0n h LEU 128 CO 0.60 1.21 0.58 -0.55 0.09 0.00 0.00 178.44 180.37 1x0n h ASN 129 N 0.04 0.91 -0.20 -0.43 -1.07 -2.00 -0.69 115.58 112.14 1x0n h ASN 129 Ca -0.11 0.02 -0.02 0.00 0.07 0.00 0.00 56.30 56.25 1x0n h ASN 129 Cb 1.90 -0.17 -0.01 0.00 -2.07 0.00 0.00 38.32 37.97 1x0n h ASN 129 CO 0.16 0.57 0.07 -0.33 0.07 0.00 0.00 177.43 177.97 1x0n h GLU 130 N 1.04 0.38 0.35 4.14 4.39 -1.99 -2.32 114.58 120.56 1x0n h GLU 130 Ca 0.41 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.04 1x0n h GLU 130 Cb 0.22 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1x0n h GLU 130 CO -0.19 0.35 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.78 1x0n h LEU 131 N 0.38 -0.39 -1.85 1.33 4.07 -1.26 -2.45 115.31 115.13 1x0n h LEU 131 Ca 0.09 0.01 0.36 0.00 0.08 0.00 0.00 57.88 58.43 1x0n h LEU 131 Cb 0.15 0.10 -0.06 0.00 1.08 0.00 0.00 40.66 41.92 1x0n h LEU 131 CO -0.00 -0.12 0.88 -0.37 -1.08 0.00 0.00 178.44 177.75 1x0n h VAL 132 N -0.79 0.37 0.52 1.22 -1.51 -1.38 -0.91 116.25 113.78 1x0n h VAL 132 Ca -0.05 -0.03 -0.03 0.00 -1.23 0.00 0.00 66.70 65.37 1x0n h VAL 132 Cb 0.36 0.29 0.01 0.00 -2.13 0.00 0.00 31.29 29.81 1x0n h VAL 132 CO 0.08 0.01 -0.25 0.44 -1.23 0.00 0.00 177.57 176.62 1x0n h ASP 133 N 0.07 -0.60 -1.03 4.19 3.32 -1.41 0.42 116.42 121.39 1x0n h ASP 133 Ca 0.63 -0.00 0.29 0.00 0.02 0.00 0.00 57.03 57.96 1x0n h ASP 133 Cb 2.31 0.15 -0.13 0.00 0.22 0.00 0.00 39.33 41.88 1x0n h ASP 133 CO -0.09 -0.18 0.62 0.22 -1.72 0.00 0.00 179.24 178.09 1x0n h TYR 134 N -1.16 0.88 0.00 4.55 5.03 -0.69 0.93 116.97 126.51 1x0n h TYR 134 Ca -0.07 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.19 1x0n h TYR 134 Cb 0.56 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 1x0n h TYR 134 CO 0.00 -0.03 -0.45 0.45 -1.32 0.00 0.00 178.16 176.82 1x0n h HIS 135 N 0.43 0.00 -0.05 -3.82 3.86 -1.40 -1.71 115.15 112.46 1x0n h HIS 135 Ca 0.68 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.78 1x0n h HIS 135 Cb 1.52 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.98 1x0n h HIS 135 CO -0.01 0.40 -0.45 -0.09 0.86 0.00 0.00 177.93 178.64 1x0n h ARG 136 N 0.00 0.12 0.00 2.45 2.43 0.31 -3.18 114.38 116.52 1x0n h ARG 136 Ca -0.01 -0.06 -0.29 0.00 -0.81 0.00 0.00 59.98 58.81 1x0n h ARG 136 Cb 1.31 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 1x0n h ARG 136 CO 0.05 0.55 -2.06 0.45 -1.51 0.00 0.00 179.97 177.45 1x0n n SER 137 N -3.99 0.32 -4.37 -3.80 2.88 -0.59 -4.41 113.62 99.66 1x0n n SER 137 Ca -0.02 0.15 -0.31 0.00 -1.33 0.00 0.00 58.87 57.37 1x0n n SER 137 Cb 0.49 0.72 -0.14 0.00 -0.75 0.00 0.00 64.21 64.53 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 -2.67 2.33 1.00 2.46 2.01 -0.64 -5.11 115.64 115.02 1x0n s THR 138 Ca -0.08 -1.23 -0.17 0.00 0.31 0.00 0.00 61.69 60.52 1x0n s THR 138 Cb 0.08 -1.90 -0.14 0.00 0.01 0.00 0.00 72.50 70.55 1x0n s THR 138 CO 0.83 0.43 -0.73 -1.54 -0.69 0.00 0.00 174.62 172.92 1x0n n SER 139 N 1.92 -5.79 0.00 3.53 3.41 -1.26 -4.25 113.62 111.18 1x0n n SER 139 Ca -0.17 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1x0n n SER 139 Cb 0.52 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.58 0.00 -2.98 -3.33 3.14 -1.25 -4.81 118.33 106.52 1x0n n VAL 140 Ca -0.01 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.97 1x0n n VAL 140 Cb 0.56 -0.02 -0.05 0.00 -1.06 0.00 0.00 33.84 33.27 1x0n n VAL 140 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1x0n s SER 141 N -2.12 7.24 -0.27 6.55 0.15 -1.26 -4.95 113.70 119.03 1x0n s SER 141 Ca 0.00 1.48 0.01 0.00 0.70 0.00 0.00 55.95 58.14 1x0n s SER 141 Cb 0.00 -2.47 0.31 0.00 -1.71 0.00 0.00 66.02 62.15 1x0n s SER 141 CO 0.00 0.05 1.66 0.54 1.20 0.00 0.00 173.24 176.69 1x0n n ARG 142 N 2.60 1.73 0.05 5.44 1.74 -1.26 -4.14 116.66 122.82 1x0n n ARG 142 Ca -0.03 -1.62 0.00 0.00 -0.77 0.00 0.00 57.85 55.43 1x0n n ARG 142 Cb 0.50 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 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 -0.17 0.22 -3.76 0.55 4.13 -1.26 -5.14 115.26 109.83 1x0n n ASN 143 Ca 0.32 0.16 -0.24 0.00 1.68 0.00 0.00 54.58 56.50 1x0n n ASN 143 Cb 0.95 0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 39.15 1x0n n ASN 143 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1x0n n GLN 144 N -3.11 0.70 -3.38 3.52 7.27 -1.26 -5.09 117.38 116.03 1x0n n GLN 144 Ca 0.00 -3.06 -0.45 0.00 0.07 0.00 0.00 57.00 53.56 1x0n n GLN 144 Cb 0.12 1.44 -0.02 0.00 2.41 0.00 0.00 30.24 34.20 1x0n n GLN 144 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 1x0n s GLN 145 N -3.42 3.82 0.11 3.69 -2.07 -1.26 -4.56 119.66 115.98 1x0n s GLN 145 Ca 0.13 -2.91 0.05 0.00 -1.82 0.00 0.00 55.36 50.82 1x0n s GLN 145 Cb 0.01 -4.42 -0.04 0.00 -1.09 0.00 0.00 33.01 27.47 1x0n s GLN 145 CO 0.10 -1.26 -0.13 0.42 -1.32 0.00 0.00 175.29 173.10 1x0n s ILE 146 N -0.68 1.21 0.40 3.63 1.01 -1.26 -5.11 121.20 120.40 1x0n s ILE 146 Ca 0.25 -1.68 0.02 0.00 0.00 0.00 0.00 60.65 59.24 1x0n s ILE 146 Cb -0.10 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 40.92 1x0n s ILE 146 CO -0.09 -0.45 0.18 0.49 0.00 0.00 0.00 174.94 175.07 1x0n n PHE 147 N 0.56 -0.12 -3.02 3.97 3.72 -1.26 -3.89 117.46 117.43 1x0n n PHE 147 Ca -0.16 -1.78 -0.43 0.00 -0.05 0.00 0.00 57.45 55.03 1x0n n PHE 147 Cb 0.57 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 38.75 1x0n n PHE 147 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1x0n s LEU 148 N 0.00 4.40 0.01 4.37 1.43 -1.26 -4.69 118.68 122.94 1x0n s LEU 148 Ca 0.13 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 1x0n s LEU 148 Cb -0.01 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 1x0n s LEU 148 CO 0.09 -0.91 0.93 -0.13 0.23 0.00 0.00 176.35 176.56 1x0n s ARG 149 N 3.14 4.56 -0.31 1.70 3.00 0.67 -4.84 118.95 126.87 1x0n s ARG 149 Ca 0.26 1.34 -0.27 0.00 0.00 0.00 0.00 55.73 57.06 1x0n s ARG 149 Cb -0.14 -3.44 -0.06 0.00 0.00 0.00 0.00 34.95 31.32 1x0n s ARG 149 CO 0.20 0.02 2.28 0.34 0.00 0.00 0.00 175.30 178.14 1x0n s ASP 150 N 0.78 5.12 0.55 0.23 -1.08 -1.26 -3.02 116.67 117.99 1x0n s ASP 150 Ca 0.49 1.62 -0.19 0.00 -0.52 0.00 0.00 52.55 53.95 1x0n s ASP 150 Cb -0.21 -2.51 -0.05 0.00 -1.46 0.00 0.00 42.92 38.69 1x0n s ASP 150 CO 0.27 -2.27 1.13 -0.51 0.52 0.00 0.00 175.17 174.31 1x0n s ILE 151 N 9.60 3.16 -0.49 4.11 2.07 -1.26 -4.97 121.20 133.41 1x0n s ILE 151 Ca 1.00 0.70 -0.18 0.00 -1.41 0.00 0.00 60.65 60.76 1x0n s ILE 151 Cb -0.28 -3.27 0.06 0.00 0.13 0.00 0.00 42.46 39.10 1x0n s ILE 151 CO 0.32 -0.17 0.55 -1.61 -1.91 0.00 0.00 174.94 172.12 1x0n s GLU 152 N -3.35 3.08 0.62 3.50 2.02 -1.26 -4.84 118.70 118.47 1x0n s GLU 152 Ca 0.72 -1.03 -0.17 0.00 0.02 0.00 0.00 54.97 54.51 1x0n s GLU 152 Cb -0.24 -4.11 -0.02 0.00 0.10 0.00 0.00 34.13 29.87 1x0n s GLU 152 CO 0.28 -1.16 1.14 -1.14 0.02 0.00 0.00 175.26 174.41 1x0n s GLN 153 N 2.31 2.91 -0.11 1.61 0.74 -1.26 -4.84 119.66 121.02 1x0n s GLN 153 Ca 0.12 1.57 -0.29 0.00 0.05 0.00 0.00 55.36 56.80 1x0n s GLN 153 Cb -0.21 -1.95 -0.14 0.00 1.10 0.00 0.00 33.01 31.82 1x0n s GLN 153 CO 0.10 -1.20 0.86 1.55 -0.55 0.00 0.00 175.29 176.05 1x0n n VAL 154 N -1.99 0.00 -1.85 1.34 3.14 -1.26 -4.86 118.33 112.85 1x0n n VAL 154 Ca 0.12 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.16 1x0n n VAL 154 Cb 0.51 -0.11 0.04 0.00 -1.06 0.00 0.00 33.84 33.22 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 0.67 2.90 -0.44 1.45 0.04 -1.26 -5.04 135.00 133.32 1x0n s PRO 155 Ca 0.66 1.43 0.03 0.00 0.04 0.00 0.00 61.00 63.16 1x0n s PRO 155 Cb -0.93 -1.96 0.19 0.00 0.04 0.00 0.00 34.50 31.84 1x0n s PRO 155 CO 0.45 -1.18 0.81 -1.14 0.04 0.00 0.00 177.00 175.98 1x0n s GLN 156 N -3.95 0.74 -0.18 4.56 0.74 -1.26 -5.14 119.66 115.18 1x0n s GLN 156 Ca 0.68 -0.58 -0.00 0.00 0.05 0.00 0.00 55.36 55.51 1x0n s GLN 156 Cb -0.21 0.00 0.01 0.00 1.10 0.00 0.00 33.01 33.91 1x0n s GLN 156 CO 0.39 -0.96 -0.15 -1.14 -0.55 0.00 0.00 175.29 172.88 1x0n s GLN 157 N 1.27 3.15 0.66 1.67 0.74 -1.26 -5.12 119.66 120.78 1x0n s GLN 157 Ca 0.23 -0.76 -0.15 0.00 0.05 0.00 0.00 55.36 54.74 1x0n s GLN 157 Cb 0.02 -2.69 0.00 0.00 1.10 0.00 0.00 33.01 31.44 1x0n s GLN 157 CO -0.08 -0.14 1.11 -1.25 -0.55 0.00 0.00 175.29 174.39 1x0n s PRO 158 N 1.18 2.77 0.00 1.67 0.04 -1.26 -5.37 135.00 134.04 1x0n s PRO 158 Ca 0.02 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1x0n s PRO 158 Cb -0.14 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1x0n s PRO 158 CO -0.06 -1.27 0.33 -2.37 0.04 0.00 0.00 177.00 173.67