#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3me2 s THR 36 N -2.99 3.99 -1.21 0.00 2.01 -1.26 -4.95 115.64 111.22 3me2 s THR 36 Ca -0.02 1.41 0.23 0.00 0.31 0.00 0.00 61.69 63.63 3me2 s THR 36 Cb 0.01 -3.67 0.30 0.00 0.01 0.00 0.00 72.50 69.15 3me2 s THR 36 CO -0.06 -0.10 1.76 0.00 -0.69 0.00 0.00 174.62 175.53 3me2 n GLN 37 N -0.29 0.16 0.19 4.92 3.00 -1.26 -2.97 117.38 121.14 3me2 n GLN 37 Ca 0.06 0.08 -0.14 0.00 -0.01 0.00 0.00 57.00 56.99 3me2 n GLN 37 Cb 0.51 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 29.17 3me2 n GLN 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 3me2 h GLU 38 N 0.00 -0.47 -0.01 -1.09 4.39 -1.99 -3.36 114.58 112.04 3me2 h GLU 38 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3me2 h GLU 38 Cb 0.31 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3me2 h GLU 38 CO 0.00 -0.18 -0.01 0.54 -1.16 0.00 0.00 179.01 178.20 3me2 n ARG 39 N -5.20 -0.04 -4.27 2.33 5.12 -1.26 -4.87 116.66 108.47 3me2 n ARG 39 Ca -0.10 -0.79 -0.15 0.00 -1.93 0.00 0.00 57.85 54.88 3me2 n ARG 39 Cb 0.27 -1.09 -0.10 0.00 -1.16 0.00 0.00 32.46 30.38 3me2 n ARG 39 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3me2 s HIS 40 N -0.49 1.35 0.00 -1.55 3.76 -1.16 -0.48 115.29 116.73 3me2 s HIS 40 Ca 0.06 -0.84 -0.12 0.00 -0.15 0.00 0.00 55.06 54.02 3me2 s HIS 40 Cb 0.04 -0.73 0.01 0.00 1.11 0.00 0.00 32.58 33.02 3me2 s HIS 40 CO 0.07 0.01 0.24 1.52 -0.85 0.00 0.00 174.74 175.73 3me2 s TYR 41 N -3.39 -0.07 0.15 1.40 -0.85 0.52 -4.43 117.35 110.68 3me2 s TYR 41 Ca 0.21 0.04 -0.04 0.00 -0.52 0.00 0.00 57.07 56.76 3me2 s TYR 41 Cb 0.04 0.03 -0.05 0.00 0.38 0.00 0.00 41.96 42.36 3me2 s TYR 41 CO 0.03 -0.37 0.37 -1.83 -1.52 0.00 0.00 175.55 172.23 3me2 s GLU 42 N -1.60 3.59 0.00 -3.49 -1.05 -1.26 -0.18 118.70 114.70 3me2 s GLU 42 Ca -0.12 -0.15 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 3me2 s GLU 42 Cb -0.05 -2.86 0.00 0.00 -0.44 0.00 0.00 34.13 30.78 3me2 s GLU 42 CO 0.02 0.46 0.00 1.58 0.95 0.00 0.00 175.26 178.27 3me2 n HIS 43 N -0.03 0.00 -2.62 4.83 -0.00 -0.96 -4.96 115.22 111.47 3me2 n HIS 43 Ca -0.03 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.77 3me2 n HIS 43 Cb 0.52 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.40 3me2 n HIS 43 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3me2 n LEU 44 N -0.67 6.81 -1.69 0.27 4.77 -1.26 -4.71 117.00 120.51 3me2 n LEU 44 Ca 0.00 -5.38 -0.17 0.00 -0.03 0.00 0.00 56.01 50.43 3me2 n LEU 44 Cb 0.00 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 3me2 n LEU 44 CO 0.00 2.08 -0.20 0.61 -1.33 0.00 0.00 177.39 178.56 3me2 n GLY 45 N -0.15 0.34 3.06 -0.72 0.00 -1.26 -5.00 105.19 101.46 3me2 n GLY 45 Ca 0.45 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 3me2 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3me2 s ARG 46 N -4.36 0.69 -0.45 1.61 0.52 -1.26 -5.12 118.95 110.59 3me2 s ARG 46 Ca 0.00 -0.55 -0.22 0.00 -0.52 0.00 0.00 55.73 54.44 3me2 s ARG 46 Cb 0.00 -0.63 0.03 0.00 0.52 0.00 0.00 34.95 34.87 3me2 s ARG 46 CO 0.00 0.16 0.74 0.00 0.02 0.00 0.00 175.30 176.21 3me2 s SER 49 N -3.00 6.82 0.91 0.00 1.04 -1.26 -0.35 113.70 117.85 3me2 s SER 49 Ca 0.27 0.98 -0.12 0.00 0.48 0.00 0.00 55.95 57.56 3me2 s SER 49 Cb -0.09 -2.30 0.13 0.00 0.10 0.00 0.00 66.02 63.87 3me2 s SER 49 CO 0.18 0.14 1.10 -0.13 0.98 0.00 0.00 173.24 175.51 3me2 s ARG 50 N -0.20 1.17 0.01 4.02 0.52 0.37 -4.61 118.95 120.23 3me2 s ARG 50 Ca 0.27 0.61 -0.19 0.00 -0.52 0.00 0.00 55.73 55.90 3me2 s ARG 50 Cb -0.17 -1.82 -0.06 0.00 0.52 0.00 0.00 34.95 33.43 3me2 s ARG 50 CO 0.13 -2.25 0.55 0.00 0.02 0.00 0.00 175.30 173.76 3me2 s GLU 52 N -0.54 3.19 0.19 0.00 -1.05 -1.26 -0.89 118.70 118.34 3me2 s GLU 52 Ca 0.29 1.59 -0.32 0.00 -0.15 0.00 0.00 54.97 56.37 3me2 s GLU 52 Cb -0.18 -1.98 -0.15 0.00 -0.44 0.00 0.00 34.13 31.38 3me2 s GLU 52 CO 0.17 -0.98 1.28 -2.30 0.95 0.00 0.00 175.26 174.38 3me2 n PRO 53 N -1.58 1.54 0.00 -4.83 -0.02 -1.22 -1.26 135.00 127.63 3me2 n PRO 53 Ca 0.12 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3me2 n PRO 53 Cb 0.51 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3me2 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3me2 n GLY 54 N 2.14 0.15 3.13 -1.23 0.00 -0.94 -4.87 105.19 103.57 3me2 n GLY 54 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 3me2 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3me2 s LYS 55 N -0.90 0.81 0.30 1.61 1.02 -0.39 -0.85 119.74 121.33 3me2 s LYS 55 Ca 0.00 -0.78 0.09 0.00 0.02 0.00 0.00 55.97 55.30 3me2 s LYS 55 Cb 0.00 -0.78 -0.04 0.00 -0.52 0.00 0.00 37.83 36.49 3me2 s LYS 55 CO 0.00 0.18 0.07 1.52 -0.92 0.00 0.00 175.35 176.20 3me2 s TYR 56 N -1.01 2.71 -0.84 3.18 1.13 0.53 -4.59 117.35 118.47 3me2 s TYR 56 Ca -0.01 -0.29 -0.25 0.00 -1.41 0.00 0.00 57.07 55.10 3me2 s TYR 56 Cb -0.08 -1.40 0.04 0.00 -1.10 0.00 0.00 41.96 39.42 3me2 s TYR 56 CO 0.01 0.49 1.32 -1.17 -2.51 0.00 0.00 175.55 173.70 3me2 s LEU 57 N -3.75 3.37 0.05 -3.49 2.96 0.06 -1.26 118.68 116.62 3me2 s LEU 57 Ca 0.34 -0.85 -0.20 0.00 -0.22 0.00 0.00 54.13 53.20 3me2 s LEU 57 Cb -0.04 -2.55 -0.13 0.00 0.50 0.00 0.00 46.19 43.97 3me2 s LEU 57 CO 0.21 -1.69 1.43 -1.28 -1.32 0.00 0.00 176.35 173.70 3me2 h SER 58 N 9.90 0.33 -3.76 3.68 0.87 -0.88 -3.40 113.55 120.28 3me2 h SER 58 Ca -0.11 -0.38 -0.18 0.00 -1.23 0.00 0.00 61.79 59.88 3me2 h SER 58 Cb 1.04 -0.09 -0.27 0.00 -0.44 0.00 0.00 62.40 62.64 3me2 h SER 58 CO 1.32 0.64 -0.51 -0.94 -0.53 0.00 0.00 176.83 176.81 3me2 s SER 59 N -5.94 -0.19 0.87 6.23 1.04 -1.15 -5.02 113.70 109.54 3me2 s SER 59 Ca -0.14 0.37 -0.10 0.00 0.48 0.00 0.00 55.95 56.56 3me2 s SER 59 Cb 0.06 0.37 0.12 0.00 0.10 0.00 0.00 66.02 66.66 3me2 s SER 59 CO 0.73 -0.07 1.14 -0.54 0.98 0.00 0.00 173.24 175.48 3me2 s LYS 60 N 0.19 1.34 0.20 4.02 1.02 -1.26 -1.87 119.74 123.38 3me2 s LYS 60 Ca -0.01 1.49 -0.31 0.00 0.02 0.00 0.00 55.97 57.16 3me2 s LYS 60 Cb -0.02 -1.77 -0.10 0.00 -0.52 0.00 0.00 37.83 35.42 3me2 s LYS 60 CO -0.00 -2.38 1.46 0.00 -0.92 0.00 0.00 175.35 173.50 3me2 n THR 62 N 3.12 0.00 0.47 0.00 -2.24 -0.75 -4.85 114.28 110.04 3me2 n THR 62 Ca 0.10 -1.49 0.08 0.00 -2.27 0.00 0.00 64.05 60.47 3me2 n THR 62 Cb 0.40 -0.98 0.35 0.00 -2.10 0.00 0.00 70.33 68.00 3me2 n THR 62 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3me2 n PRO 63 N -2.96 0.04 -0.00 -0.78 -0.04 -1.26 -3.77 135.00 126.22 3me2 n PRO 63 Ca 0.16 0.29 0.02 0.00 -0.04 0.00 0.00 63.50 63.93 3me2 n PRO 63 Cb 0.59 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 3me2 n PRO 63 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3me2 n THR 64 N -1.66 0.00 -4.22 0.52 -2.24 -1.26 -5.07 114.28 100.35 3me2 n THR 64 Ca 0.03 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 3me2 n THR 64 Cb 0.18 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 3me2 n THR 64 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3me2 s SER 65 N -2.22 1.01 0.83 3.42 1.04 -1.25 -5.17 113.70 111.37 3me2 s SER 65 Ca -0.01 -1.19 -0.06 0.00 0.48 0.00 0.00 55.95 55.17 3me2 s SER 65 Cb 0.02 0.16 0.13 0.00 0.10 0.00 0.00 66.02 66.44 3me2 s SER 65 CO 0.15 -0.61 0.83 -0.67 0.98 0.00 0.00 173.24 173.92 3me2 n ASP 66 N -0.22 0.48 -4.67 7.02 -0.08 -1.26 -1.81 116.55 116.01 3me2 n ASP 66 Ca -0.06 -1.56 -0.38 0.00 -1.51 0.00 0.00 54.79 51.29 3me2 n ASP 66 Cb 0.63 -0.60 0.05 0.00 2.34 0.00 0.00 41.12 43.55 3me2 n ASP 66 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3me2 n SER 67 N -3.30 1.55 -4.29 1.67 7.64 -1.26 -4.42 113.62 111.22 3me2 n SER 67 Ca 0.12 0.86 -0.35 0.00 1.01 0.00 0.00 58.87 60.51 3me2 n SER 67 Cb 0.41 -1.47 -0.14 0.00 -1.01 0.00 0.00 64.21 62.00 3me2 n SER 67 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3me2 s VAL 68 N -1.42 3.29 -0.12 0.44 1.01 -0.78 -4.95 120.40 117.87 3me2 s VAL 68 Ca 0.76 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3me2 s VAL 68 Cb -0.41 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 3me2 s VAL 68 CO 0.46 0.36 -0.15 0.00 0.00 0.00 0.00 175.10 175.78 3me2 s LEU 70 N 0.28 2.23 0.45 0.00 1.02 -0.39 -4.89 118.68 117.38 3me2 s LEU 70 Ca -0.11 -0.65 -0.25 0.00 0.02 0.00 0.00 54.13 53.14 3me2 s LEU 70 Cb -0.16 -1.24 -0.08 0.00 0.02 0.00 0.00 46.19 44.73 3me2 s LEU 70 CO 0.06 0.22 1.43 -2.16 0.02 0.00 0.00 176.35 175.92 3me2 s PRO 71 N -1.57 3.67 0.30 1.29 0.04 -1.26 -0.35 135.00 137.11 3me2 s PRO 71 Ca 0.12 2.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.29 3me2 s PRO 71 Cb -0.10 -2.65 -0.11 0.00 0.04 0.00 0.00 34.50 31.69 3me2 s PRO 71 CO 0.04 -0.84 1.52 0.00 0.04 0.00 0.00 177.00 177.76 3me2 s GLY 73 N 0.31 1.51 0.19 0.00 0.00 -1.26 -4.86 107.32 103.21 3me2 s GLY 73 Ca 0.60 -0.85 -0.33 0.00 0.00 0.00 0.00 44.72 44.14 3me2 s GLY 73 CO 0.49 0.08 1.48 -1.55 0.00 0.00 0.00 173.10 173.61 3me2 n PRO 74 N -5.15 2.04 -1.16 2.90 -0.04 -1.26 -2.22 135.00 130.10 3me2 n PRO 74 Ca 0.12 0.73 -0.05 0.00 -0.04 0.00 0.00 63.50 64.26 3me2 n PRO 74 Cb 0.59 -2.44 -0.02 0.00 -0.04 0.00 0.00 33.50 31.59 3me2 n PRO 74 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3me2 n ASP 75 N 2.76 -4.55 -4.56 3.54 2.03 -1.26 -5.00 116.55 109.51 3me2 n ASP 75 Ca 0.14 0.14 -0.25 0.00 0.52 0.00 0.00 54.79 55.34 3me2 n ASP 75 Cb 0.30 -2.54 -0.09 0.00 -0.72 0.00 0.00 41.12 38.07 3me2 n ASP 75 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3me2 s GLU 76 N -2.00 2.00 0.09 -0.67 2.02 -0.94 -2.42 118.70 116.77 3me2 s GLU 76 Ca 0.00 -1.43 -0.11 0.00 0.02 0.00 0.00 54.97 53.45 3me2 s GLU 76 Cb 0.00 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 32.18 3me2 s GLU 76 CO 0.00 0.39 0.25 1.52 0.02 0.00 0.00 175.26 177.44 3me2 s TYR 77 N -2.02 0.04 -0.08 1.61 -0.85 0.95 -4.08 117.35 112.92 3me2 s TYR 77 Ca 0.27 -0.40 -0.04 0.00 -0.52 0.00 0.00 57.07 56.38 3me2 s TYR 77 Cb -0.07 0.03 0.04 0.00 0.38 0.00 0.00 41.96 42.34 3me2 s TYR 77 CO 0.16 -0.57 0.18 -0.51 -1.52 0.00 0.00 175.55 173.29 3me2 s LEU 78 N -2.72 0.43 0.00 -3.49 1.43 -1.01 -0.81 118.68 112.52 3me2 s LEU 78 Ca 0.03 0.39 0.22 0.00 -1.03 0.00 0.00 54.13 53.73 3me2 s LEU 78 Cb 0.03 0.47 0.30 0.00 0.03 0.00 0.00 46.19 47.03 3me2 s LEU 78 CO -0.10 -0.18 1.30 -0.90 0.23 0.00 0.00 176.35 176.70 3me2 n ASP 79 N 4.48 3.15 -4.25 2.29 5.75 -1.25 -2.20 116.55 124.51 3me2 n ASP 79 Ca -0.21 -1.95 -0.17 0.00 -0.01 0.00 0.00 54.79 52.45 3me2 n ASP 79 Cb 0.52 -0.14 -0.10 0.00 -1.03 0.00 0.00 41.12 40.37 3me2 n ASP 79 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3me2 s THR 80 N -1.61 0.51 -0.33 2.12 -4.23 -1.26 -4.88 115.64 105.96 3me2 s THR 80 Ca 0.32 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 3me2 s THR 80 Cb 0.20 -2.61 0.01 0.00 1.34 0.00 0.00 72.50 71.44 3me2 s THR 80 CO 0.29 0.00 1.24 0.26 -0.54 0.00 0.00 174.62 175.87 3me2 s TRP 81 N -3.73 2.80 0.19 3.99 0.52 -1.26 -3.38 118.94 118.07 3me2 s TRP 81 Ca 0.37 0.92 0.04 0.00 0.02 0.00 0.00 56.10 57.45 3me2 s TRP 81 Cb 0.07 -3.93 -0.05 0.00 -1.15 0.00 0.00 33.47 28.42 3me2 s TRP 81 CO 0.14 -1.45 -0.04 0.54 0.02 0.00 0.00 176.95 176.16 3me2 s ASN 82 N 2.53 1.77 -0.28 2.95 2.20 -0.07 -4.84 114.94 119.20 3me2 s ASN 82 Ca 0.53 -1.14 0.09 0.00 -0.94 0.00 0.00 52.86 51.40 3me2 s ASN 82 Cb -0.14 0.01 0.48 0.00 -2.00 0.00 0.00 41.25 39.60 3me2 s ASN 82 CO 0.22 -0.45 1.41 -0.62 -2.94 0.00 0.00 177.10 174.73 3me2 n GLU 83 N -0.32 1.90 -2.59 3.55 1.02 -1.26 -0.86 120.64 122.09 3me2 n GLU 83 Ca -0.07 -3.29 -0.42 0.00 -0.02 0.00 0.00 57.16 53.36 3me2 n GLU 83 Cb 0.63 -1.81 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 3me2 n GLU 83 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3me2 s GLU 84 N -3.29 4.52 0.18 3.49 0.41 -1.26 -4.76 118.70 117.98 3me2 s GLU 84 Ca 0.44 1.57 -0.16 0.00 -0.41 0.00 0.00 54.97 56.42 3me2 s GLU 84 Cb 0.40 -3.40 0.14 0.00 -1.78 0.00 0.00 34.13 29.49 3me2 s GLU 84 CO -0.02 -0.11 1.66 0.22 -0.49 0.00 0.00 175.26 176.52 3me2 h ASP 85 N 6.67 -0.42 -5.13 -0.19 3.58 -1.97 0.20 116.42 119.15 3me2 h ASP 85 Ca -0.41 0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.10 3me2 h ASP 85 Cb 1.22 0.28 -0.13 0.00 1.72 0.00 0.00 39.33 42.42 3me2 h ASP 85 CO 0.77 -0.15 -0.23 -1.59 -2.88 0.00 0.00 179.24 175.16 3me2 s LYS 86 N -6.22 0.99 0.61 0.28 -2.85 -1.26 -4.62 119.74 106.67 3me2 s LYS 86 Ca -0.14 -0.88 -0.13 0.00 -1.00 0.00 0.00 55.97 53.83 3me2 s LYS 86 Cb 0.16 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.29 3me2 s LYS 86 CO 0.72 -0.36 1.03 0.00 0.10 0.00 0.00 175.35 176.84 3me2 s LEU 88 N -4.92 4.49 0.10 0.00 1.43 0.01 -4.82 118.68 114.96 3me2 s LEU 88 Ca 0.57 1.27 -0.30 0.00 -1.03 0.00 0.00 54.13 54.64 3me2 s LEU 88 Cb -0.12 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.10 3me2 s LEU 88 CO 0.47 0.20 0.99 -0.22 0.23 0.00 0.00 176.35 178.02 3me2 s LEU 89 N -0.75 4.47 0.43 1.79 2.96 -1.26 -0.03 118.68 126.28 3me2 s LEU 89 Ca 0.31 1.81 -0.26 0.00 -0.22 0.00 0.00 54.13 55.76 3me2 s LEU 89 Cb -0.19 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.82 3me2 s LEU 89 CO 0.19 -0.13 1.45 -1.00 -1.32 0.00 0.00 176.35 175.53 3me2 s HIS 90 N 0.20 2.50 0.65 5.38 3.76 -1.02 -4.94 115.29 121.82 3me2 s HIS 90 Ca 0.49 1.23 -0.17 0.00 -0.15 0.00 0.00 55.06 56.46 3me2 s HIS 90 Cb -0.24 -3.95 -0.01 0.00 1.11 0.00 0.00 32.58 29.49 3me2 s HIS 90 CO 0.30 -2.95 1.17 -1.59 -0.85 0.00 0.00 174.74 170.82 3me2 s LYS 91 N -2.34 2.71 -0.17 1.40 -2.85 -1.26 -5.00 119.74 112.23 3me2 s LYS 91 Ca 0.58 1.67 -0.21 0.00 -1.00 0.00 0.00 55.97 57.01 3me2 s LYS 91 Cb -0.45 -1.91 -0.03 0.00 -2.06 0.00 0.00 37.83 33.38 3me2 s LYS 91 CO 0.58 -1.37 0.65 0.08 0.10 0.00 0.00 175.35 175.39 3me2 s VAL 92 N -1.92 5.02 -1.31 1.79 1.01 -1.26 -4.93 120.40 118.81 3me2 s VAL 92 Ca 0.73 1.26 -0.15 0.00 0.00 0.00 0.00 61.98 63.82 3me2 s VAL 92 Cb -0.27 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 32.25 3me2 s VAL 92 CO 0.38 0.14 1.79 0.00 0.00 0.00 0.00 175.10 177.41 3me2 s ASP 94 N 3.08 5.99 0.52 0.00 3.68 -1.26 -4.48 116.67 124.20 3me2 s ASP 94 Ca 0.47 1.86 0.17 0.00 2.13 0.00 0.00 52.55 57.18 3me2 s ASP 94 Cb 0.05 -2.52 1.30 0.00 -1.45 0.00 0.00 42.92 40.30 3me2 s ASP 94 CO 0.01 -1.54 2.14 0.00 0.13 0.00 0.00 175.17 175.91 3me2 h ALA 95 N 12.57 2.02 0.00 3.66 0.00 -1.94 -0.85 119.26 134.72 3me2 h ALA 95 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3me2 h ALA 95 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3me2 h ALA 95 CO 0.98 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.60 3me2 n GLY 96 N -1.54 -0.98 0.87 0.00 0.00 -1.26 -0.80 105.19 101.48 3me2 n GLY 96 Ca -0.02 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3me2 n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3me2 n LYS 97 N -1.77 2.52 -2.16 1.61 5.02 -0.44 -4.96 118.16 117.98 3me2 n LYS 97 Ca 0.02 -2.13 -0.13 0.00 -2.02 0.00 0.00 58.31 54.05 3me2 n LYS 97 Cb 0.14 -1.37 -0.01 0.00 -0.02 0.00 0.00 35.03 33.77 3me2 n LYS 97 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3me2 n ALA 98 N 0.95 -0.36 -2.93 7.82 0.00 0.02 -4.27 120.51 121.73 3me2 n ALA 98 Ca 0.15 0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.44 3me2 n ALA 98 Cb 0.48 -1.53 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 3me2 n ALA 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3me2 s LEU 99 N -3.62 4.29 -0.10 0.00 1.43 -0.53 -1.24 118.68 118.92 3me2 s LEU 99 Ca 0.00 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.13 3me2 s LEU 99 Cb 0.00 -2.87 0.03 0.00 0.03 0.00 0.00 46.19 43.38 3me2 s LEU 99 CO 0.00 0.06 0.32 0.54 0.23 0.00 0.00 176.35 177.50 3me2 s VAL 100 N -1.73 0.01 0.02 -1.59 0.11 -0.16 -3.63 120.40 113.43 3me2 s VAL 100 Ca 0.34 -0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 59.00 3me2 s VAL 100 Cb -0.11 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.21 3me2 s VAL 100 CO 0.28 -0.05 1.31 0.00 -3.33 0.00 0.00 175.10 173.31 3me2 s ALA 101 N -0.10 3.52 -0.13 1.54 0.00 -1.26 -0.47 121.76 124.86 3me2 s ALA 101 Ca -0.02 0.85 0.22 0.00 0.00 0.00 0.00 51.96 53.01 3me2 s ALA 101 Cb -0.03 -3.54 -0.31 0.00 0.00 0.00 0.00 23.12 19.24 3me2 s ALA 101 CO 0.01 -0.73 0.55 1.33 0.00 0.00 0.00 175.76 176.92 3me2 n VAL 102 N 4.38 0.03 -3.61 0.00 0.24 0.28 -4.89 118.33 114.75 3me2 n VAL 102 Ca 0.11 -0.45 -0.10 0.00 -2.04 0.00 0.00 64.34 61.86 3me2 n VAL 102 Cb 0.45 0.08 -0.10 0.00 -1.47 0.00 0.00 33.84 32.79 3me2 n VAL 102 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3me2 s ASP 103 N -4.41 0.05 0.41 -1.34 2.15 -1.11 -4.99 116.67 107.42 3me2 s ASP 103 Ca -0.06 0.72 0.13 0.00 0.43 0.00 0.00 52.55 53.77 3me2 s ASP 103 Cb 0.14 1.10 0.85 0.00 -0.30 0.00 0.00 42.92 44.70 3me2 s ASP 103 CO 0.90 -0.25 1.90 -0.65 -0.17 0.00 0.00 175.17 176.91 3me2 h PRO 104 N 8.21 0.00 0.00 4.34 0.11 -1.89 0.21 132.00 142.99 3me2 h PRO 104 Ca -0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3me2 h PRO 104 Cb 1.12 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3me2 h PRO 104 CO 0.15 0.29 0.00 0.41 -0.21 0.00 0.00 178.00 178.64 3me2 n GLY 105 N -0.72 -1.75 0.00 -0.55 0.00 -1.26 -4.34 105.19 96.57 3me2 n GLY 105 Ca -0.02 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3me2 n GLY 105 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3me2 n ASN 106 N -2.18 0.00 0.04 1.61 0.23 -0.42 -4.93 115.26 109.61 3me2 n ASN 106 Ca 0.00 -0.04 0.08 0.00 -0.53 0.00 0.00 54.58 54.08 3me2 n ASN 106 Cb 0.00 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.03 3me2 n ASN 106 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3me2 n HIS 107 N 0.00 0.23 -0.02 -2.53 8.25 -1.26 -3.18 115.22 116.71 3me2 n HIS 107 Ca 0.00 0.09 -0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3me2 n HIS 107 Cb 0.00 -0.65 -0.06 0.00 1.12 0.00 0.00 29.99 30.40 3me2 n HIS 107 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3me2 n THR 108 N -1.71 0.29 -4.53 1.59 -1.04 -1.26 -2.39 114.28 105.22 3me2 n THR 108 Ca 0.03 -0.25 -0.23 0.00 -2.04 0.00 0.00 64.05 61.55 3me2 n THR 108 Cb 0.16 -0.33 -0.14 0.00 -1.82 0.00 0.00 70.33 68.20 3me2 n THR 108 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3me2 s ALA 109 N -2.33 1.43 0.71 2.41 0.00 -1.19 -3.91 121.76 118.88 3me2 s ALA 109 Ca -0.03 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 3me2 s ALA 109 Cb 0.03 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.91 3me2 s ALA 109 CO 0.31 0.31 1.09 -1.25 0.00 0.00 0.00 175.76 176.22 3me2 s PRO 110 N -1.03 2.60 0.31 0.00 0.04 -1.26 -1.30 135.00 134.35 3me2 s PRO 110 Ca 0.05 1.21 -0.27 0.00 0.04 0.00 0.00 61.00 62.02 3me2 s PRO 110 Cb -0.08 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 3me2 s PRO 110 CO 0.01 -1.38 0.98 0.50 0.04 0.00 0.00 177.00 177.15 3me2 s ARG 111 N -4.62 4.60 -0.17 4.56 3.52 -1.26 -4.06 118.95 121.52 3me2 s ARG 111 Ca 0.63 1.46 -0.01 0.00 -0.13 0.00 0.00 55.73 57.67 3me2 s ARG 111 Cb -0.18 -2.93 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 3me2 s ARG 111 CO 0.50 0.27 -0.12 1.03 -0.81 0.00 0.00 175.30 176.17 3me2 s ARG 112 N -1.83 3.29 0.26 5.12 1.81 0.73 -4.86 118.95 123.47 3me2 s ARG 112 Ca 0.48 -0.70 0.09 0.00 -1.72 0.00 0.00 55.73 53.88 3me2 s ARG 112 Cb -0.23 -2.74 -0.04 0.00 -0.45 0.00 0.00 34.95 31.50 3me2 s ARG 112 CO 0.29 -0.01 0.08 0.00 -0.68 0.00 0.00 175.30 174.97 3me2 s ALA 114 N -2.25 -0.29 0.16 0.00 0.00 0.38 -4.82 121.76 114.94 3me2 s ALA 114 Ca 0.32 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 3me2 s ALA 114 Cb -0.07 0.16 -0.08 0.00 0.00 0.00 0.00 23.12 23.13 3me2 s ALA 114 CO 0.22 -0.25 1.26 0.00 0.00 0.00 0.00 175.76 176.99 3me2 s THR 116 N 0.32 2.42 0.14 0.00 -4.23 -0.37 -4.00 115.64 109.92 3me2 s THR 116 Ca 0.57 0.14 -0.33 0.00 -1.18 0.00 0.00 61.69 60.88 3me2 s THR 116 Cb -0.34 -2.34 -0.17 0.00 1.34 0.00 0.00 72.50 70.99 3me2 s THR 116 CO 0.35 -0.18 0.96 0.00 -0.54 0.00 0.00 174.62 175.21 3me2 n ALA 117 N -4.14 -2.12 -0.03 3.99 0.00 -1.26 -2.18 120.51 114.77 3me2 n ALA 117 Ca 0.09 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3me2 n ALA 117 Cb 0.53 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3me2 n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3me2 n GLY 118 N 1.84 0.78 3.29 0.00 0.00 -1.26 -5.04 105.19 104.80 3me2 n GLY 118 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 3me2 n GLY 118 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3me2 s TYR 119 N -2.30 1.44 0.02 1.61 2.02 -0.93 -1.56 117.35 117.66 3me2 s TYR 119 Ca 0.00 -0.77 -0.00 0.00 -0.37 0.00 0.00 57.07 55.93 3me2 s TYR 119 Cb 0.00 -0.75 -0.02 0.00 -0.40 0.00 0.00 41.96 40.79 3me2 s TYR 119 CO 0.00 0.10 -0.03 -3.38 -1.57 0.00 0.00 175.55 170.67 3me2 s HIS 120 N -3.28 0.30 0.15 2.71 -3.43 -0.59 -4.23 115.29 106.92 3me2 s HIS 120 Ca 0.21 -0.59 -0.30 0.00 -0.80 0.00 0.00 55.06 53.58 3me2 s HIS 120 Cb 0.03 -0.22 -0.08 0.00 -1.43 0.00 0.00 32.58 30.89 3me2 s HIS 120 CO 0.04 -0.21 1.26 -0.46 -2.00 0.00 0.00 174.74 173.37 3me2 s TRP 121 N -1.73 3.35 -0.17 0.38 -0.11 -1.21 -1.04 118.94 118.42 3me2 s TRP 121 Ca -0.13 1.27 0.01 0.00 1.22 0.00 0.00 56.10 58.47 3me2 s TRP 121 Cb -0.08 -3.52 0.02 0.00 -1.50 0.00 0.00 33.47 28.39 3me2 s TRP 121 CO -0.02 -1.59 -0.20 1.21 -4.62 0.00 0.00 176.95 171.74 3me2 s ASN 122 N 0.51 3.07 0.00 5.86 3.84 -0.50 -4.92 114.94 122.80 3me2 s ASN 122 Ca 0.57 -0.62 0.29 0.00 0.21 0.00 0.00 52.86 53.31 3me2 s ASN 122 Cb -0.34 -1.44 1.30 0.00 -0.55 0.00 0.00 41.25 40.22 3me2 s ASN 122 CO 0.35 0.01 1.94 -1.54 -2.79 0.00 0.00 177.10 175.07 3me2 n SER 123 N 4.53 0.06 0.00 -4.21 3.41 -1.26 -1.27 113.62 114.87 3me2 n SER 123 Ca -0.20 0.17 -0.10 0.00 -0.26 0.00 0.00 58.87 58.47 3me2 n SER 123 Cb 0.50 -0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 64.02 3me2 n SER 123 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3me2 h ASP 124 N 0.04 -0.10 0.57 4.04 3.32 -1.95 -3.33 116.42 119.01 3me2 h ASP 124 Ca 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3me2 h ASP 124 Cb 0.42 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3me2 h ASP 124 CO 0.00 0.56 -0.18 0.00 -1.72 0.00 0.00 179.24 177.90 3me2 n GLU 126 N -1.24 -2.82 -3.71 0.00 1.02 -0.40 -4.97 120.64 108.52 3me2 n GLU 126 Ca 0.10 0.37 -0.10 0.00 -0.02 0.00 0.00 57.16 57.51 3me2 n GLU 126 Cb 0.31 -4.35 -0.05 0.00 -0.02 0.00 0.00 31.44 27.34 3me2 n GLU 126 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3me2 s ARG 129 N 4.53 4.06 0.31 0.00 1.81 -0.21 -4.76 118.95 124.70 3me2 s ARG 129 Ca 0.27 0.61 -0.29 0.00 -1.72 0.00 0.00 55.73 54.60 3me2 s ARG 129 Cb -0.14 -2.87 -0.12 0.00 -0.45 0.00 0.00 34.95 31.38 3me2 s ARG 129 CO 0.13 0.42 1.45 -2.13 -0.68 0.00 0.00 175.30 174.49 3me2 n ARG 130 N 0.65 2.41 -2.09 3.54 0.63 -1.26 -1.54 116.66 119.00 3me2 n ARG 130 Ca -0.03 0.85 -0.36 0.00 -0.92 0.00 0.00 57.85 57.39 3me2 n ARG 130 Cb 0.52 -2.55 0.02 0.00 0.45 0.00 0.00 32.46 30.90 3me2 n ARG 130 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3me2 s ASN 131 N 0.10 5.43 0.28 6.15 0.01 -0.60 -4.85 114.94 121.47 3me2 s ASN 131 Ca 0.60 2.36 -0.29 0.00 -0.71 0.00 0.00 52.86 54.81 3me2 s ASN 131 Cb -0.54 -2.60 -0.10 0.00 0.41 0.00 0.00 41.25 38.42 3me2 s ASN 131 CO 0.56 -1.42 1.30 -0.89 -1.51 0.00 0.00 177.10 175.13 3me2 s THR 132 N -1.61 2.93 0.07 1.60 2.01 -1.26 -4.89 115.64 114.49 3me2 s THR 132 Ca 0.74 0.87 -0.14 0.00 0.31 0.00 0.00 61.69 63.48 3me2 s THR 132 Cb -0.29 -3.55 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 3me2 s THR 132 CO 0.33 0.18 0.46 -1.61 -0.69 0.00 0.00 174.62 173.29 3me2 s GLU 133 N -1.18 3.92 -0.18 4.92 2.02 -1.26 -4.33 118.70 122.61 3me2 s GLU 133 Ca 0.51 0.40 -0.18 0.00 0.02 0.00 0.00 54.97 55.73 3me2 s GLU 133 Cb -0.38 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 3me2 s GLU 133 CO 0.47 0.59 0.50 0.00 0.02 0.00 0.00 175.26 176.84 3me2 s ALA 135 N 1.35 0.86 0.32 0.00 0.00 -1.26 -2.07 121.76 120.96 3me2 s ALA 135 Ca 0.24 -0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.87 3me2 s ALA 135 Cb -0.15 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.62 3me2 s ALA 135 CO 0.10 -2.91 1.49 -2.30 0.00 0.00 0.00 175.76 172.13 3me2 n PRO 136 N -4.27 2.52 0.00 0.00 -0.02 -1.21 -1.33 135.00 130.68 3me2 n PRO 136 Ca 0.06 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3me2 n PRO 136 Cb 0.55 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3me2 n PRO 136 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3me2 n GLY 137 N 1.38 0.67 3.22 -1.23 0.00 0.25 -4.92 105.19 104.56 3me2 n GLY 137 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 3me2 n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3me2 s PHE 138 N -2.20 1.58 0.19 1.61 0.40 -0.44 -0.63 117.98 118.49 3me2 s PHE 138 Ca 0.00 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.02 3me2 s PHE 138 Cb 0.00 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.58 3me2 s PHE 138 CO 0.00 0.11 -0.16 0.20 0.70 0.00 0.00 175.22 176.06 3me2 s GLY 139 N -1.47 1.45 -0.00 4.36 0.00 0.56 -4.53 107.32 107.69 3me2 s GLY 139 Ca 0.04 -1.61 -0.30 0.00 0.00 0.00 0.00 44.72 42.86 3me2 s GLY 139 CO 0.02 -1.68 1.07 0.00 0.00 0.00 0.00 173.10 172.51 3me2 s ALA 140 N -2.54 3.30 0.21 3.20 0.00 -0.01 -1.51 121.76 124.41 3me2 s ALA 140 Ca 0.20 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 3me2 s ALA 140 Cb -0.03 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.60 3me2 s ALA 140 CO 0.07 -0.40 1.18 -1.14 0.00 0.00 0.00 175.76 175.48 3me2 s GLN 141 N 1.30 4.51 0.17 0.00 0.74 -0.23 -4.22 119.66 121.93 3me2 s GLN 141 Ca 0.54 1.88 0.08 0.00 0.05 0.00 0.00 55.36 57.91 3me2 s GLN 141 Cb -0.24 -3.22 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 3me2 s GLN 141 CO 0.26 -0.04 -0.06 -1.01 -0.55 0.00 0.00 175.29 173.89 3me2 s HIS 142 N -0.31 2.72 0.35 1.67 3.76 -1.26 -4.02 115.29 118.20 3me2 s HIS 142 Ca 0.51 -0.18 -0.28 0.00 -0.15 0.00 0.00 55.06 54.96 3me2 s HIS 142 Cb -0.33 -1.34 -0.09 0.00 1.11 0.00 0.00 32.58 31.93 3me2 s HIS 142 CO 0.38 0.50 1.24 -1.25 -0.85 0.00 0.00 174.74 174.77 3me2 s PRO 143 N -2.79 4.27 -0.02 8.40 0.04 -1.26 -5.11 135.00 138.53 3me2 s PRO 143 Ca 0.25 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 3me2 s PRO 143 Cb -0.09 -2.95 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 3me2 s PRO 143 CO 0.16 -0.20 1.37 -0.51 0.04 0.00 0.00 177.00 177.86 3me2 s LEU 144 N -2.00 4.30 -0.08 -3.56 1.43 -1.26 -5.00 118.68 112.52 3me2 s LEU 144 Ca 0.51 2.05 -0.24 0.00 -1.03 0.00 0.00 54.13 55.42 3me2 s LEU 144 Cb -0.36 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.27 3me2 s LEU 144 CO 0.47 -0.70 0.74 -1.10 0.23 0.00 0.00 176.35 175.99 3me2 s GLN 145 N 2.47 4.42 0.33 1.70 -1.52 -1.26 -5.03 119.66 120.76 3me2 s GLN 145 Ca 0.62 0.94 -0.29 0.00 -1.95 0.00 0.00 55.36 54.68 3me2 s GLN 145 Cb -0.30 -3.47 -0.11 0.00 -0.22 0.00 0.00 33.01 28.91 3me2 s GLN 145 CO 0.25 -0.02 1.52 -1.17 -0.25 0.00 0.00 175.29 175.63 3me2 s LEU 146 N 1.06 4.34 -0.11 2.90 2.96 -1.26 -2.83 118.68 125.74 3me2 s LEU 146 Ca 0.39 2.96 0.00 0.00 -0.22 0.00 0.00 54.13 57.25 3me2 s LEU 146 Cb -0.18 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.86 3me2 s LEU 146 CO 0.18 -0.86 0.00 -3.20 -1.32 0.00 0.00 176.35 171.15 3me2 n ASN 147 N 1.39 -4.78 -4.24 3.68 5.15 -1.26 -4.99 115.26 110.22 3me2 n ASN 147 Ca 0.05 0.02 -0.25 0.00 -0.60 0.00 0.00 54.58 53.80 3me2 n ASN 147 Cb 0.39 -2.37 -0.14 0.00 -0.53 0.00 0.00 39.78 37.13 3me2 n ASN 147 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3me2 s LYS 148 N -1.35 1.29 0.51 1.20 1.02 -1.13 -3.34 119.74 117.95 3me2 s LYS 148 Ca 0.00 -0.94 -0.21 0.00 0.02 0.00 0.00 55.97 54.85 3me2 s LYS 148 Cb 0.00 -1.41 -0.07 0.00 -0.52 0.00 0.00 37.83 35.83 3me2 s LYS 148 CO 0.00 0.36 1.12 0.34 -0.92 0.00 0.00 175.35 176.25 3me2 s ASP 149 N -1.25 5.94 0.29 2.83 2.15 -1.26 -4.72 116.67 120.65 3me2 s ASP 149 Ca 0.06 2.17 -0.30 0.00 0.43 0.00 0.00 52.55 54.92 3me2 s ASP 149 Cb -0.09 -2.58 -0.12 0.00 -0.30 0.00 0.00 42.92 39.83 3me2 s ASP 149 CO 0.02 -1.07 1.56 0.41 -0.17 0.00 0.00 175.17 175.92 3me2 n THR 150 N -1.02 1.09 -3.80 1.71 -1.04 -1.26 -4.96 114.28 105.00 3me2 n THR 150 Ca 0.10 -0.27 -0.36 0.00 -2.04 0.00 0.00 64.05 61.48 3me2 n THR 150 Cb 0.50 -1.88 -0.10 0.00 -1.82 0.00 0.00 70.33 67.02 3me2 n THR 150 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3me2 s VAL 151 N -0.10 4.90 -0.06 12.58 1.01 -1.26 -4.77 120.40 132.69 3me2 s VAL 151 Ca 0.64 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.53 3me2 s VAL 151 Cb -0.52 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3me2 s VAL 151 CO 0.50 0.37 0.26 0.00 0.00 0.00 0.00 175.10 176.23 3me2 s THR 153 N -1.06 0.77 0.44 0.00 2.01 -0.57 -4.95 115.64 112.28 3me2 s THR 153 Ca 0.19 -0.35 -0.25 0.00 0.31 0.00 0.00 61.69 61.59 3me2 s THR 153 Cb -0.14 -0.69 -0.08 0.00 0.01 0.00 0.00 72.50 71.59 3me2 s THR 153 CO 0.08 0.24 1.41 -2.16 -0.69 0.00 0.00 174.62 173.50 3me2 s PRO 154 N 0.24 3.74 0.28 4.92 0.04 -1.26 -0.32 135.00 142.64 3me2 s PRO 154 Ca -0.04 2.38 -0.29 0.00 0.04 0.00 0.00 61.00 63.08 3me2 s PRO 154 Cb -0.09 -2.68 -0.10 0.00 0.04 0.00 0.00 34.50 31.67 3me2 s PRO 154 CO 0.01 -0.75 1.34 0.00 0.04 0.00 0.00 177.00 177.63 3me2 s LEU 156 N -1.05 2.81 0.07 0.00 1.43 -1.26 -4.94 118.68 115.75 3me2 s LEU 156 Ca 0.53 0.61 -0.36 0.00 -1.03 0.00 0.00 54.13 53.88 3me2 s LEU 156 Cb -0.39 -3.26 -0.16 0.00 0.03 0.00 0.00 46.19 42.41 3me2 s LEU 156 CO 0.47 -1.57 1.47 -0.11 0.23 0.00 0.00 176.35 176.84 3me2 n LEU 157 N -2.97 2.21 0.00 1.79 0.00 -1.26 -1.62 117.00 115.16 3me2 n LEU 157 Ca 0.07 1.10 0.00 0.00 0.00 0.00 0.00 56.01 57.18 3me2 n LEU 157 Cb 0.60 -1.26 0.00 0.00 0.00 0.00 0.00 43.42 42.76 3me2 n LEU 157 CO 0.54 -0.73 0.00 0.61 0.00 0.00 0.00 177.39 177.81 3me2 n GLY 158 N 3.01 0.74 3.24 -3.96 0.00 -1.26 -5.05 105.19 101.91 3me2 n GLY 158 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 3me2 n GLY 158 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3me2 s PHE 159 N -2.59 1.36 0.10 1.61 0.40 -0.64 -1.72 117.98 116.49 3me2 s PHE 159 Ca 0.00 -0.59 -0.08 0.00 -0.60 0.00 0.00 56.93 55.66 3me2 s PHE 159 Cb 0.00 -0.70 -0.01 0.00 0.51 0.00 0.00 43.02 42.82 3me2 s PHE 159 CO 0.00 0.13 0.19 -0.59 0.70 0.00 0.00 175.22 175.65 3me2 s PHE 160 N -2.37 0.23 -0.08 0.36 -0.12 0.30 -4.25 117.98 112.05 3me2 s PHE 160 Ca 0.10 -0.66 -0.03 0.00 -0.05 0.00 0.00 56.93 56.29 3me2 s PHE 160 Cb -0.03 -0.09 0.05 0.00 -0.63 0.00 0.00 43.02 42.31 3me2 s PHE 160 CO 0.03 -0.56 0.16 0.45 -0.05 0.00 0.00 175.22 175.25 3me2 s SER 161 N -2.89 0.39 -0.06 1.98 0.15 0.68 -1.11 113.70 112.84 3me2 s SER 161 Ca 0.08 0.34 0.10 0.00 0.70 0.00 0.00 55.95 57.16 3me2 s SER 161 Cb 0.05 0.27 0.22 0.00 -1.71 0.00 0.00 66.02 64.85 3me2 s SER 161 CO -0.09 -0.21 1.16 -0.90 1.20 0.00 0.00 173.24 174.40 3me2 n ASP 162 N 4.90 2.59 -4.19 5.45 3.85 -1.25 -0.58 116.55 127.31 3me2 n ASP 162 Ca -0.13 -2.42 -0.13 0.00 -0.71 0.00 0.00 54.79 51.40 3me2 n ASP 162 Cb 0.51 -0.24 -0.10 0.00 -1.35 0.00 0.00 41.12 39.93 3me2 n ASP 162 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3me2 s VAL 163 N -1.74 0.92 -0.22 2.12 -7.23 -1.26 -4.87 120.40 108.12 3me2 s VAL 163 Ca 0.20 -1.86 -0.23 0.00 -1.81 0.00 0.00 61.98 58.28 3me2 s VAL 163 Cb 0.15 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 35.47 3me2 s VAL 163 CO 0.06 -0.72 0.74 -0.36 -0.31 0.00 0.00 175.10 174.50 3me2 s PHE 164 N -3.09 3.34 -0.19 2.82 0.40 -1.26 -3.30 117.98 116.71 3me2 s PHE 164 Ca 0.11 1.04 -0.22 0.00 -0.60 0.00 0.00 56.93 57.25 3me2 s PHE 164 Cb 0.01 -2.93 0.06 0.00 0.51 0.00 0.00 43.02 40.67 3me2 s PHE 164 CO -0.01 -0.29 0.60 0.45 0.70 0.00 0.00 175.22 176.66 3me2 s SER 165 N 1.29 -0.61 0.00 1.36 0.15 -0.88 -4.89 113.70 110.13 3me2 s SER 165 Ca 0.32 1.07 0.25 0.00 0.70 0.00 0.00 55.95 58.29 3me2 s SER 165 Cb -0.16 1.07 0.46 0.00 -1.71 0.00 0.00 66.02 65.68 3me2 s SER 165 CO 0.09 -0.29 1.38 -1.54 1.20 0.00 0.00 173.24 174.08 3me2 n SER 166 N 2.35 1.03 -0.00 5.45 3.41 -1.26 0.15 113.62 124.74 3me2 n SER 166 Ca -0.15 -0.82 -0.00 0.00 -0.26 0.00 0.00 58.87 57.64 3me2 n SER 166 Cb 0.56 0.32 -0.00 0.00 -0.26 0.00 0.00 64.21 64.83 3me2 n SER 166 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3me2 n THR 167 N -0.89 0.01 -2.36 6.66 -2.24 -1.26 -4.84 114.28 109.35 3me2 n THR 167 Ca 0.09 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 3me2 n THR 167 Cb 0.36 -0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 67.67 3me2 n THR 167 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3me2 s ASP 168 N -3.22 7.00 0.87 3.42 -0.00 -1.26 -4.68 116.67 118.79 3me2 s ASP 168 Ca -0.00 2.01 -0.13 0.00 -0.00 0.00 0.00 52.55 54.43 3me2 s ASP 168 Cb 0.00 -2.57 0.12 0.00 -0.00 0.00 0.00 42.92 40.47 3me2 s ASP 168 CO 0.01 -0.57 1.22 -1.59 -0.00 0.00 0.00 175.17 174.23 3me2 s LYS 169 N 1.69 1.46 0.15 8.23 -2.85 -1.26 -0.83 119.74 126.33 3me2 s LYS 169 Ca 0.60 -0.05 -0.31 0.00 -1.00 0.00 0.00 55.97 55.21 3me2 s LYS 169 Cb -0.29 -1.91 -0.09 0.00 -2.06 0.00 0.00 37.83 33.48 3me2 s LYS 169 CO 0.27 -1.92 1.44 0.00 0.10 0.00 0.00 175.35 175.24 3me2 s LYS 171 N 0.85 3.68 0.59 0.00 -2.85 -0.27 -4.82 119.74 116.93 3me2 s LYS 171 Ca 0.65 0.05 -0.15 0.00 -1.00 0.00 0.00 55.97 55.52 3me2 s LYS 171 Cb -0.39 -2.99 -0.04 0.00 -2.06 0.00 0.00 37.83 32.34 3me2 s LYS 171 CO 0.33 0.57 1.04 -1.25 0.10 0.00 0.00 175.35 176.14 3me2 s PRO 172 N -2.01 3.42 0.67 1.78 0.04 -1.26 -0.54 135.00 137.11 3me2 s PRO 172 Ca 0.33 1.11 -0.17 0.00 0.04 0.00 0.00 61.00 62.31 3me2 s PRO 172 Cb -0.13 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 3me2 s PRO 172 CO 0.19 -0.72 1.13 0.91 0.04 0.00 0.00 177.00 178.55 3me2 n TRP 173 N -2.06 1.32 -2.19 0.56 8.01 -0.70 -4.84 117.44 117.54 3me2 n TRP 173 Ca 0.08 0.42 -0.38 0.00 -1.31 0.00 0.00 57.50 56.31 3me2 n TRP 173 Cb 0.53 -2.18 -0.01 0.00 -2.01 0.00 0.00 31.31 27.65 3me2 n TRP 173 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3me2 s THR 174 N -1.58 2.93 -0.47 -0.99 2.01 -1.26 -5.00 115.64 111.28 3me2 s THR 174 Ca 0.78 0.76 -0.16 0.00 0.31 0.00 0.00 61.69 63.38 3me2 s THR 174 Cb -0.37 -3.41 0.07 0.00 0.01 0.00 0.00 72.50 68.79 3me2 s THR 174 CO 0.45 0.05 0.40 0.20 -0.69 0.00 0.00 174.62 175.03 3me2 s ASN 175 N -1.11 6.15 0.42 3.53 0.01 -1.26 -4.83 114.94 117.86 3me2 s ASN 175 Ca 0.60 -1.25 0.16 0.00 -0.71 0.00 0.00 52.86 51.66 3me2 s ASN 175 Cb -0.32 -2.19 1.05 0.00 0.41 0.00 0.00 41.25 40.20 3me2 s ASN 175 CO 0.40 -0.64 1.91 0.00 -1.51 0.00 0.00 177.10 177.26 3me2 h THR 177 N 0.42 0.97 0.00 0.00 1.03 -1.91 0.86 112.91 114.27 3me2 h THR 177 Ca 0.39 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.73 3me2 h THR 177 Cb 0.90 0.77 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 3me2 h THR 177 CO -0.13 0.03 0.00 -0.07 -0.01 0.00 0.00 175.52 175.34 3me2 h LEU 178 N 0.18 0.00 -2.16 0.00 3.38 -1.53 -2.30 115.31 112.88 3me2 h LEU 178 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3me2 h LEU 178 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3me2 h LEU 178 CO -0.02 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.69 3me2 n LEU 179 N -2.96 3.23 -1.01 1.67 4.77 0.20 -4.95 117.00 117.95 3me2 n LEU 179 Ca 0.00 -1.30 -0.07 0.00 -0.03 0.00 0.00 56.01 54.61 3me2 n LEU 179 Cb 0.26 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3me2 n LEU 179 CO 0.25 0.64 -0.05 0.61 -1.33 0.00 0.00 177.39 177.51 3me2 n GLY 180 N 1.40 0.17 3.39 -0.72 0.00 -0.86 -5.03 105.19 103.52 3me2 n GLY 180 Ca 0.17 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 3me2 n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3me2 s LYS 181 N -4.64 1.78 0.20 1.61 1.02 -0.64 -4.89 119.74 114.18 3me2 s LYS 181 Ca 0.05 -2.05 0.10 0.00 0.02 0.00 0.00 55.97 54.09 3me2 s LYS 181 Cb -0.02 -0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.09 3me2 s LYS 181 CO 0.06 -0.53 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.29 3me2 s LEU 182 N -3.46 2.71 -0.32 3.17 1.43 0.14 -3.03 118.68 119.33 3me2 s LEU 182 Ca 0.33 -0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 3me2 s LEU 182 Cb 0.03 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 3me2 s LEU 182 CO 0.20 0.10 1.47 -0.70 0.23 0.00 0.00 176.35 177.65 3me2 s GLU 183 N -2.86 3.72 -0.12 1.70 2.12 -1.26 0.28 118.70 122.27 3me2 s GLU 183 Ca 0.24 1.28 -0.09 0.00 0.36 0.00 0.00 54.97 56.76 3me2 s GLU 183 Cb -0.08 -4.00 -0.08 0.00 0.26 0.00 0.00 34.13 30.24 3me2 s GLU 183 CO 0.13 -1.38 0.16 0.00 -0.54 0.00 0.00 175.26 173.63 3me2 h ALA 184 N 10.47 0.02 -3.81 6.30 0.00 -1.37 -3.47 119.26 127.40 3me2 h ALA 184 Ca -0.29 -0.27 -0.38 0.00 0.00 0.00 0.00 54.91 53.97 3me2 h ALA 184 Cb 1.12 0.13 -0.27 0.00 0.00 0.00 0.00 17.79 18.78 3me2 h ALA 184 CO 1.04 0.13 -0.77 -1.58 0.00 0.00 0.00 179.25 178.07 3me2 s HIS 185 N -1.86 0.83 0.63 0.00 5.65 -1.19 -5.03 115.29 114.32 3me2 s HIS 185 Ca -0.08 -0.24 -0.13 0.00 0.25 0.00 0.00 55.06 54.85 3me2 s HIS 185 Cb 0.00 -0.52 -0.02 0.00 -1.18 0.00 0.00 32.58 30.86 3me2 s HIS 185 CO 0.23 -0.01 1.05 -1.14 -0.65 0.00 0.00 174.74 174.21 3me2 s GLN 186 N -0.63 3.26 0.73 2.88 0.74 -1.26 -2.06 119.66 123.33 3me2 s GLN 186 Ca 0.01 1.00 -0.06 0.00 0.05 0.00 0.00 55.36 56.36 3me2 s GLN 186 Cb -0.05 -2.03 0.10 0.00 1.10 0.00 0.00 33.01 32.12 3me2 s GLN 186 CO 0.00 -0.85 1.03 0.20 -0.55 0.00 0.00 175.29 175.13 3me2 s GLY 187 N -3.45 1.74 0.00 2.59 0.00 -1.26 -4.75 107.32 102.18 3me2 s GLY 187 Ca 0.59 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3me2 s GLY 187 CO 0.47 -0.73 0.00 -1.30 0.00 0.00 0.00 173.10 171.54 3me2 n THR 188 N -2.97 0.00 0.87 0.90 -2.24 -0.50 -4.95 114.28 105.39 3me2 n THR 188 Ca 0.11 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 3me2 n THR 188 Cb 0.60 -0.20 0.49 0.00 -2.10 0.00 0.00 70.33 69.13 3me2 n THR 188 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3me2 n THR 189 N -0.10 0.19 0.08 4.28 -2.24 -1.26 -4.01 114.28 111.22 3me2 n THR 189 Ca 0.00 -0.10 0.05 0.00 -2.27 0.00 0.00 64.05 61.74 3me2 n THR 189 Cb 0.00 -0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 67.73 3me2 n THR 189 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3me2 n GLU 190 N -1.75 0.91 -4.08 -0.78 1.02 -1.26 -0.23 120.64 114.47 3me2 n GLU 190 Ca 0.06 -0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.03 3me2 n GLU 190 Cb 0.37 -1.20 -0.10 0.00 -0.02 0.00 0.00 31.44 30.48 3me2 n GLU 190 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3me2 s SER 191 N -2.99 0.63 0.82 1.62 1.04 -1.26 -3.96 113.70 109.61 3me2 s SER 191 Ca -0.02 -0.81 -0.12 0.00 0.48 0.00 0.00 55.95 55.48 3me2 s SER 191 Cb 0.07 0.13 0.09 0.00 0.10 0.00 0.00 66.02 66.40 3me2 s SER 191 CO 0.43 -0.44 1.16 -0.62 0.98 0.00 0.00 173.24 174.76 3me2 s ASP 192 N -2.38 4.38 0.59 7.02 2.15 -1.26 -1.41 116.67 125.76 3me2 s ASP 192 Ca -0.00 0.86 -0.19 0.00 0.43 0.00 0.00 52.55 53.65 3me2 s ASP 192 Cb 0.00 -1.40 -0.04 0.00 -0.30 0.00 0.00 42.92 41.18 3me2 s ASP 192 CO -0.05 -1.99 1.20 -0.69 -0.17 0.00 0.00 175.17 173.47 3me2 s VAL 193 N -3.49 2.67 -0.21 1.11 1.01 -1.26 -4.31 120.40 115.91 3me2 s VAL 193 Ca 0.62 0.41 -0.07 0.00 0.00 0.00 0.00 61.98 62.95 3me2 s VAL 193 Cb -0.12 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3me2 s VAL 193 CO 0.50 -0.09 0.05 0.68 0.00 0.00 0.00 175.10 176.24 3me2 s VAL 194 N -1.61 4.40 -0.07 2.92 -7.23 -0.87 -4.88 120.40 113.07 3me2 s VAL 194 Ca 0.77 -0.16 -0.10 0.00 -1.81 0.00 0.00 61.98 60.68 3me2 s VAL 194 Cb -0.30 -3.01 -0.05 0.00 0.56 0.00 0.00 36.38 33.59 3me2 s VAL 194 CO 0.33 0.41 0.25 0.00 -0.31 0.00 0.00 175.10 175.77 3me2 s SER 196 N -1.10 2.52 -0.93 0.00 0.15 0.14 -4.85 113.70 109.64 3me2 s SER 196 Ca 0.19 -0.40 -0.12 0.00 0.70 0.00 0.00 55.95 56.32 3me2 s SER 196 Cb -0.14 -0.27 0.24 0.00 -1.71 0.00 0.00 66.02 64.14 3me2 s SER 196 CO 0.08 0.26 0.89 -0.94 1.20 0.00 0.00 173.24 174.73 3me2 s SER 197 N -0.56 6.96 0.39 5.45 1.04 -1.26 0.29 113.70 126.00 3me2 s SER 197 Ca 0.08 -3.00 0.04 0.00 0.48 0.00 0.00 55.95 53.55 3me2 s SER 197 Cb -0.08 -2.21 0.04 0.00 0.10 0.00 0.00 66.02 63.87 3me2 s SER 197 CO -0.01 -0.48 0.36 -0.24 0.98 0.00 0.00 173.24 173.85 3me2 n SER 198 N 3.56 2.03 0.00 7.02 2.88 -1.26 -5.06 113.62 122.79 3me2 n SER 198 Ca 0.18 -2.26 0.00 0.00 -1.33 0.00 0.00 58.87 55.45 3me2 n SER 198 Cb 0.44 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 3me2 n SER 198 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61