#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f2f n PRO 26 N 0.00 1.84 -1.72 -0.67 -0.04 -1.26 -4.95 135.00 128.20 2f2f n PRO 26 Ca 0.00 -1.51 -0.37 0.00 -0.04 0.00 0.00 63.50 61.58 2f2f n PRO 26 Cb 0.00 -1.67 0.07 0.00 -0.04 0.00 0.00 33.50 31.86 2f2f n PRO 26 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2f2f n THR 27 N 0.70 4.89 0.32 0.52 5.66 -1.26 -4.90 114.28 120.22 2f2f n THR 27 Ca 0.31 -0.50 0.15 0.00 -3.05 0.00 0.00 64.05 60.96 2f2f n THR 27 Cb 0.58 -1.48 0.60 0.00 -1.55 0.00 0.00 70.33 68.49 2f2f n THR 27 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 2f2f h THR 28 N 0.54 0.00 -3.01 1.09 2.02 -2.00 -3.36 112.91 108.18 2f2f h THR 28 Ca -0.51 -0.44 -0.62 0.00 0.77 0.00 0.00 66.41 65.61 2f2f h THR 28 Cb 1.34 1.36 -0.41 0.00 -1.74 0.00 0.00 68.15 68.71 2f2f h THR 28 CO 0.53 0.00 -0.67 -0.31 0.37 0.00 0.00 175.52 175.43 2f2f s TYR 29 N -3.53 2.84 -0.45 3.16 2.02 -1.26 -4.94 117.35 115.19 2f2f s TYR 29 Ca 0.03 -2.99 0.20 0.00 -0.37 0.00 0.00 57.07 53.94 2f2f s TYR 29 Cb 0.09 -2.31 0.96 0.00 -0.40 0.00 0.00 41.96 40.30 2f2f s TYR 29 CO 0.50 -0.67 1.62 -0.35 -1.57 0.00 0.00 175.55 175.09 2f2f n PRO 30 N 2.60 0.14 0.23 -1.71 -0.04 -1.26 -1.78 135.00 133.18 2f2f n PRO 30 Ca 0.16 0.50 0.09 0.00 -0.04 0.00 0.00 63.50 64.21 2f2f n PRO 30 Cb 0.36 -1.85 0.53 0.00 -0.04 0.00 0.00 33.50 32.50 2f2f n PRO 30 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2f2f h ASP 31 N 0.00 0.00 -2.94 3.54 2.03 -1.96 -3.38 116.42 113.72 2f2f h ASP 31 Ca 0.00 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.63 2f2f h ASP 31 Cb 0.19 0.00 -0.18 0.00 -0.83 0.00 0.00 39.33 38.51 2f2f h ASP 31 CO 0.00 0.24 0.24 -0.69 -1.03 0.00 0.00 179.24 178.00 2f2f s VAL 32 N -3.99 4.67 0.37 4.15 1.01 -0.73 -5.03 120.40 120.85 2f2f s VAL 32 Ca -0.02 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 2f2f s VAL 32 Cb 0.12 -4.50 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 2f2f s VAL 32 CO 0.64 -1.14 1.30 -0.70 0.00 0.00 0.00 175.10 175.20 2f2f s GLU 33 N 3.11 4.13 0.38 2.72 2.12 -1.26 -4.95 118.70 124.96 2f2f s GLU 33 Ca 0.16 2.17 -0.27 0.00 0.36 0.00 0.00 54.97 57.39 2f2f s GLU 33 Cb -0.20 -2.88 -0.09 0.00 0.26 0.00 0.00 34.13 31.21 2f2f s GLU 33 CO 0.09 -0.36 1.34 -1.17 -0.54 0.00 0.00 175.26 174.62 2f2f s LEU 34 N -2.17 4.28 -0.09 2.70 2.96 -1.26 -5.01 118.68 120.09 2f2f s LEU 34 Ca 0.54 2.74 -0.04 0.00 -0.22 0.00 0.00 54.13 57.14 2f2f s LEU 34 Cb -0.38 -3.80 -0.04 0.00 0.50 0.00 0.00 46.19 42.47 2f2f s LEU 34 CO 0.50 -0.79 0.09 -0.44 -1.32 0.00 0.00 176.35 174.39 2f2f s SER 35 N -0.57 5.90 0.81 3.68 0.01 -1.26 -5.10 113.70 117.17 2f2f s SER 35 Ca 0.54 0.31 -0.12 0.00 1.31 0.00 0.00 55.95 58.00 2f2f s SER 35 Cb -0.40 -1.80 0.08 0.00 0.21 0.00 0.00 66.02 64.10 2f2f s SER 35 CO 0.53 0.38 1.10 -2.16 0.41 0.00 0.00 173.24 173.49 2f2f s PRO 36 N -1.08 2.00 0.79 12.44 0.04 -1.26 -5.01 135.00 142.91 2f2f s PRO 36 Ca 0.16 0.63 -0.13 0.00 0.04 0.00 0.00 61.00 61.69 2f2f s PRO 36 Cb -0.12 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.58 2f2f s PRO 36 CO 0.05 -1.68 1.18 -2.14 0.04 0.00 0.00 177.00 174.45 2f2f s PRO 37 N -5.15 1.84 0.42 0.56 0.02 -1.26 -4.98 135.00 126.45 2f2f s PRO 37 Ca 0.61 1.63 -0.23 0.00 0.02 0.00 0.00 61.00 63.04 2f2f s PRO 37 Cb -0.15 -1.81 -0.09 0.00 0.02 0.00 0.00 34.50 32.47 2f2f s PRO 37 CO 0.54 -2.04 1.03 -1.25 -0.33 0.00 0.00 177.00 174.95 2f2f s PRO 38 N -4.23 4.09 -0.15 5.54 0.04 -1.26 -4.84 135.00 134.19 2f2f s PRO 38 Ca 0.71 1.41 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 2f2f s PRO 38 Cb -0.26 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 2f2f s PRO 38 CO 0.50 -0.19 0.30 0.50 0.04 0.00 0.00 177.00 178.15 2f2f s ARG 39 N -2.76 4.24 0.30 4.56 6.06 -1.26 -1.04 118.95 129.05 2f2f s ARG 39 Ca 0.61 0.11 0.05 0.00 -2.50 0.00 0.00 55.73 54.00 2f2f s ARG 39 Cb -0.19 -3.42 -0.03 0.00 0.06 0.00 0.00 34.95 31.37 2f2f s ARG 39 CO 0.23 0.25 0.25 0.96 -2.50 0.00 0.00 175.30 174.50 2f2f s ILE 40 N 0.41 0.00 -0.04 4.11 -4.36 -0.14 -4.19 121.20 116.99 2f2f s ILE 40 Ca 0.17 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.58 2f2f s ILE 40 Cb -0.13 -2.50 0.02 0.00 1.25 0.00 0.00 42.46 41.09 2f2f s ILE 40 CO 0.04 0.00 -0.06 -0.44 0.24 0.00 0.00 174.94 174.72 2f2f s SER 41 N -3.32 1.04 -0.32 4.36 0.01 0.05 -1.82 113.70 113.70 2f2f s SER 41 Ca 0.40 -0.15 -0.11 0.00 1.31 0.00 0.00 55.95 57.40 2f2f s SER 41 Cb 0.03 -0.45 -0.01 0.00 0.21 0.00 0.00 66.02 65.80 2f2f s SER 41 CO 0.24 -0.02 0.20 -0.22 0.41 0.00 0.00 173.24 173.85 2f2f s LEU 42 N 0.70 4.30 -0.04 2.44 2.96 -1.26 -1.86 118.68 125.92 2f2f s LEU 42 Ca -0.10 -0.44 0.07 0.00 -0.22 0.00 0.00 54.13 53.43 2f2f s LEU 42 Cb -0.13 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 2f2f s LEU 42 CO 0.01 -0.20 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.47 2f2f s ARG 43 N 1.67 2.31 0.23 1.98 0.52 -0.82 -0.04 118.95 124.81 2f2f s ARG 43 Ca 0.05 -0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 54.09 2f2f s ARG 43 Cb -0.17 -2.14 -0.09 0.00 0.52 0.00 0.00 34.95 33.07 2f2f s ARG 43 CO 0.09 0.52 1.20 0.45 0.02 0.00 0.00 175.30 177.57 2f2f s SER 44 N -0.51 7.08 0.17 0.23 0.15 -1.05 -0.59 113.70 119.17 2f2f s SER 44 Ca 0.07 2.33 0.26 0.00 0.70 0.00 0.00 55.95 59.30 2f2f s SER 44 Cb -0.11 -2.62 0.91 0.00 -1.71 0.00 0.00 66.02 62.49 2f2f s SER 44 CO 0.00 -0.34 1.79 0.18 1.20 0.00 0.00 173.24 176.07 2f2f n LEU 45 N 1.89 0.61 0.02 3.45 4.77 -0.06 -0.06 117.00 127.62 2f2f n LEU 45 Ca 0.02 0.57 -0.20 0.00 -0.03 0.00 0.00 56.01 56.37 2f2f n LEU 45 Cb 0.44 -0.39 -0.14 0.00 -2.33 0.00 0.00 43.42 41.00 2f2f n LEU 45 CO 0.56 -0.18 -0.17 0.25 -1.33 0.00 0.00 177.39 176.52 2f2f h LEU 46 N 0.00 0.38 0.00 2.23 6.46 -1.78 -3.39 115.31 119.21 2f2f h LEU 46 Ca 0.00 -0.89 0.00 0.00 -0.12 0.00 0.00 57.88 56.87 2f2f h LEU 46 Cb 0.64 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 2f2f h LEU 46 CO 0.00 1.47 -1.24 0.35 -0.62 0.00 0.00 178.44 178.40 2f2f n THR 47 N -4.08 0.00 -1.27 1.05 -2.24 -1.23 -4.97 114.28 101.53 2f2f n THR 47 Ca -0.19 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.24 2f2f n THR 47 Cb 0.83 0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 69.58 2f2f n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f2f n ALA 48 N -1.72 -0.14 -2.69 6.98 0.00 0.92 -4.97 120.51 118.89 2f2f n ALA 48 Ca -0.00 0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 2f2f n ALA 48 Cb 0.33 -1.51 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 2f2f n ALA 48 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2f2f s GLN 49 N -2.62 4.41 0.38 0.00 0.74 -1.25 -4.71 119.66 116.61 2f2f s GLN 49 Ca 0.00 1.29 -0.24 0.00 0.05 0.00 0.00 55.36 56.45 2f2f s GLN 49 Cb 0.00 -3.53 -0.10 0.00 1.10 0.00 0.00 33.01 30.48 2f2f s GLN 49 CO 0.00 -0.26 1.00 -1.25 -0.55 0.00 0.00 175.29 174.23 2f2f s PRO 50 N 1.85 4.32 0.04 1.67 0.04 -1.26 -2.54 135.00 139.12 2f2f s PRO 50 Ca 0.46 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 2f2f s PRO 50 Cb -0.18 -2.59 -0.06 0.00 0.04 0.00 0.00 34.50 31.71 2f2f s PRO 50 CO 0.18 0.02 1.27 0.42 0.04 0.00 0.00 177.00 178.93 2f2f s ILE 51 N -1.70 3.89 0.13 0.56 -1.09 0.94 -4.98 121.20 118.95 2f2f s ILE 51 Ca 0.56 1.32 0.05 0.00 -2.23 0.00 0.00 60.65 60.34 2f2f s ILE 51 Cb -0.19 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 2f2f s ILE 51 CO 0.25 0.06 0.09 -0.54 -1.23 0.00 0.00 174.94 173.57 2f2f s LYS 52 N 1.53 2.81 0.30 2.79 1.02 -1.26 -4.67 119.74 122.26 2f2f s LYS 52 Ca 0.60 -0.83 0.06 0.00 0.02 0.00 0.00 55.97 55.82 2f2f s LYS 52 Cb -0.30 -2.63 -0.02 0.00 -0.52 0.00 0.00 37.83 34.36 2f2f s LYS 52 CO 0.28 0.51 0.40 0.54 -0.92 0.00 0.00 175.35 176.16 2f2f s ASN 53 N -2.78 5.95 0.00 2.83 2.20 -0.23 -4.92 114.94 117.99 2f2f s ASN 53 Ca 0.29 -0.16 0.21 0.00 -0.94 0.00 0.00 52.86 52.27 2f2f s ASN 53 Cb -0.11 -1.38 0.54 0.00 -2.00 0.00 0.00 41.25 38.31 2f2f s ASN 53 CO 0.22 -0.30 1.45 -0.90 -2.94 0.00 0.00 177.10 174.63 2f2f n ASP 54 N -1.52 2.74 0.11 3.54 5.68 -1.26 -4.38 116.55 121.46 2f2f n ASP 54 Ca -0.03 -1.90 -0.04 0.00 -0.50 0.00 0.00 54.79 52.32 2f2f n ASP 54 Cb 0.58 -0.21 0.11 0.00 -1.14 0.00 0.00 41.12 40.46 2f2f n ASP 54 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2f2f h HIS 55 N 3.48 0.15 -2.08 2.11 3.86 -1.95 -3.46 115.15 117.26 2f2f h HIS 55 Ca 0.00 -0.06 -0.61 0.00 -1.16 0.00 0.00 60.37 58.54 2f2f h HIS 55 Cb 0.77 -0.02 -0.13 0.00 1.06 0.00 0.00 27.41 29.08 2f2f h HIS 55 CO 0.21 0.74 -0.71 0.71 0.86 0.00 0.00 177.93 179.74 2f2f s TYR 56 N -3.56 2.37 0.40 2.45 2.02 -1.26 -5.08 117.35 114.68 2f2f s TYR 56 Ca -0.02 -0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 56.00 2f2f s TYR 56 Cb 0.12 -1.20 -0.10 0.00 -0.40 0.00 0.00 41.96 40.38 2f2f s TYR 56 CO 0.79 0.64 1.47 -3.47 -1.57 0.00 0.00 175.55 173.41 2f2f n ASP 57 N -0.73 3.63 0.00 2.29 -0.08 -1.26 -4.77 116.55 115.63 2f2f n ASP 57 Ca -0.05 1.20 0.03 0.00 -1.51 0.00 0.00 54.79 54.46 2f2f n ASP 57 Cb 0.62 -1.61 0.15 0.00 2.34 0.00 0.00 41.12 42.62 2f2f n ASP 57 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2f2f n SER 58 N 0.27 0.00 0.02 1.67 2.88 -1.26 0.66 113.62 117.86 2f2f n SER 58 Ca 0.02 0.11 0.11 0.00 -1.33 0.00 0.00 58.87 57.79 2f2f n SER 58 Cb 0.40 -0.22 -0.05 0.00 -0.75 0.00 0.00 64.21 63.59 2f2f n SER 58 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2f2f n HIS 59 N -1.22 0.18 -2.97 0.66 8.25 -1.26 -4.84 115.22 114.02 2f2f n HIS 59 Ca 0.03 0.05 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 2f2f n HIS 59 Cb 0.04 -0.38 -0.05 0.00 1.12 0.00 0.00 29.99 30.72 2f2f n HIS 59 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2f2f s ASN 60 N -3.93 6.92 0.45 0.41 3.84 0.21 -4.94 114.94 117.90 2f2f s ASN 60 Ca 0.02 1.12 0.19 0.00 0.21 0.00 0.00 52.86 54.41 2f2f s ASN 60 Cb 0.14 -2.43 1.16 0.00 -0.55 0.00 0.00 41.25 39.58 2f2f s ASN 60 CO 0.84 -0.30 1.91 0.10 -2.79 0.00 0.00 177.10 176.86 2f2f h TYR 61 N 7.20 0.38 0.00 0.43 -0.00 -1.88 0.34 116.97 123.44 2f2f h TYR 61 Ca -0.33 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.41 2f2f h TYR 61 Cb 1.15 -0.12 0.00 0.00 0.00 0.00 0.00 36.73 37.76 2f2f h TYR 61 CO 0.70 0.13 0.16 -0.07 -0.00 0.00 0.00 178.16 179.08 2f2f h LEU 62 N 0.31 0.00 0.00 0.10 3.38 -1.89 0.31 115.31 117.51 2f2f h LEU 62 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2f2f h LEU 62 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2f2f h LEU 62 CO -0.11 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.88 2f2f n SER 63 N -2.23 0.00 -0.60 -0.43 3.41 0.11 -2.84 113.62 111.04 2f2f n SER 63 Ca -0.01 0.10 0.07 0.00 -0.26 0.00 0.00 58.87 58.76 2f2f n SER 63 Cb 0.19 -0.34 0.09 0.00 -0.26 0.00 0.00 64.21 63.89 2f2f n SER 63 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2f2f n THR 64 N -1.34 0.30 -3.78 6.66 -2.24 0.11 -1.07 114.28 112.91 2f2f n THR 64 Ca 0.09 -0.65 -0.36 0.00 -2.27 0.00 0.00 64.05 60.87 2f2f n THR 64 Cb 0.20 1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 2f2f n THR 64 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2f2f s HIS 65 N -1.07 3.60 0.05 4.78 4.02 -1.13 -4.35 115.29 121.19 2f2f s HIS 65 Ca 0.19 0.59 -0.02 0.00 1.02 0.00 0.00 55.06 56.84 2f2f s HIS 65 Cb 0.12 -2.00 -0.03 0.00 -1.02 0.00 0.00 32.58 29.66 2f2f s HIS 65 CO 0.17 0.66 0.01 -1.58 1.02 0.00 0.00 174.74 175.02 2f2f s TRP 66 N -1.20 0.40 -0.16 1.40 0.52 -0.76 -4.50 118.94 114.65 2f2f s TRP 66 Ca 0.23 -0.86 -0.05 0.00 0.02 0.00 0.00 56.10 55.44 2f2f s TRP 66 Cb -0.13 -0.29 -0.03 0.00 -1.15 0.00 0.00 33.47 31.87 2f2f s TRP 66 CO 0.12 -0.37 -0.01 -1.21 0.02 0.00 0.00 176.95 175.50 2f2f s GLU 67 N -3.43 3.74 -0.30 4.98 2.02 0.14 -0.96 118.70 124.88 2f2f s GLU 67 Ca 0.02 -0.48 -0.20 0.00 0.02 0.00 0.00 54.97 54.33 2f2f s GLU 67 Cb 0.04 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 2f2f s GLU 67 CO -0.08 0.24 0.64 -1.17 0.02 0.00 0.00 175.26 174.91 2f2f s LEU 68 N 0.38 4.14 -0.02 1.80 2.96 -0.21 -1.39 118.68 126.35 2f2f s LEU 68 Ca -0.02 0.44 0.04 0.00 -0.22 0.00 0.00 54.13 54.37 2f2f s LEU 68 Cb -0.14 -2.83 -0.01 0.00 0.50 0.00 0.00 46.19 43.72 2f2f s LEU 68 CO 0.02 -0.49 -0.15 0.27 -1.32 0.00 0.00 176.35 174.68 2f2f s ILE 69 N 2.62 1.24 0.34 6.68 -4.36 -0.87 -4.06 121.20 122.80 2f2f s ILE 69 Ca 0.26 -0.65 -0.25 0.00 -0.26 0.00 0.00 60.65 59.75 2f2f s ILE 69 Cb -0.15 -1.05 -0.10 0.00 1.25 0.00 0.00 42.46 42.41 2f2f s ILE 69 CO 0.12 0.36 0.93 -1.81 0.24 0.00 0.00 174.94 174.78 2f2f s ASP 70 N -0.22 7.24 -0.22 4.36 1.01 -1.26 -0.63 116.67 126.95 2f2f s ASP 70 Ca 0.03 1.78 -0.17 0.00 0.71 0.00 0.00 52.55 54.90 2f2f s ASP 70 Cb -0.08 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 2f2f s ASP 70 CO 0.00 -0.13 0.46 -0.47 0.21 0.00 0.00 175.17 175.25 2f2f s TYR 71 N -1.73 3.34 -0.91 4.23 5.04 -0.32 -4.82 117.35 122.17 2f2f s TYR 71 Ca 0.52 0.66 0.25 0.00 -2.44 0.00 0.00 57.07 56.06 2f2f s TYR 71 Cb -0.16 -2.62 0.47 0.00 0.35 0.00 0.00 41.96 39.99 2f2f s TYR 71 CO 0.21 -0.12 1.39 1.63 -1.34 0.00 0.00 175.55 177.32 2f2f n LYS 72 N 4.89 0.07 -0.85 4.97 4.76 -1.26 -4.76 118.16 125.99 2f2f n LYS 72 Ca -0.06 0.02 -0.31 0.00 -2.87 0.00 0.00 58.31 55.09 2f2f n LYS 72 Cb 0.50 -1.54 0.16 0.00 -1.84 0.00 0.00 35.03 32.31 2f2f n LYS 72 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2f2f s GLY 73 N -3.16 1.66 0.00 0.72 0.00 -1.26 -4.99 107.32 100.30 2f2f s GLY 73 Ca 0.10 0.38 0.05 0.00 0.00 0.00 0.00 44.72 45.25 2f2f s GLY 73 CO 0.71 0.82 1.09 0.28 0.00 0.00 0.00 173.10 176.00 2f2f n LYS 74 N -4.13 2.76 -0.01 2.90 4.76 -1.26 -4.68 118.16 118.50 2f2f n LYS 74 Ca 0.10 -1.69 0.12 0.00 -2.87 0.00 0.00 58.31 53.96 2f2f n LYS 74 Cb 0.53 -1.12 0.66 0.00 -1.84 0.00 0.00 35.03 33.26 2f2f n LYS 74 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2f2f n GLU 75 N -0.03 1.12 -0.14 1.97 0.00 -1.26 -3.63 120.64 118.68 2f2f n GLU 75 Ca 0.05 -0.18 0.09 0.00 0.00 0.00 0.00 57.16 57.12 2f2f n GLU 75 Cb 0.32 -1.38 0.15 0.00 0.00 0.00 0.00 31.44 30.52 2f2f n GLU 75 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2f2f n TYR 76 N -0.68 0.02 -0.03 -1.84 4.01 -1.26 -4.83 117.16 112.55 2f2f n TYR 76 Ca 0.18 -1.06 -0.04 0.00 -0.16 0.00 0.00 57.90 56.82 2f2f n TYR 76 Cb 0.13 -0.16 0.17 0.00 -0.31 0.00 0.00 39.34 39.16 2f2f n TYR 76 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2f2f h GLU 77 N 0.14 0.61 -0.17 -0.72 4.39 -1.91 -2.73 114.58 114.19 2f2f h GLU 77 Ca 0.00 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 2f2f h GLU 77 Cb 1.01 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 2f2f h GLU 77 CO 0.00 0.76 0.03 1.57 -1.16 0.00 0.00 179.01 180.22 2f2f h LYS 78 N 0.55 0.24 -0.14 2.33 2.10 -1.90 -2.86 116.57 116.89 2f2f h LYS 78 Ca 0.09 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2f2f h LYS 78 Cb 0.63 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2f2f h LYS 78 CO 0.04 0.24 0.00 1.28 -2.00 0.00 0.00 179.45 179.01 2f2f n LEU 79 N -4.42 2.22 -0.16 7.07 4.77 -1.23 -4.65 117.00 120.60 2f2f n LEU 79 Ca -0.00 -1.43 0.26 0.00 -0.03 0.00 0.00 56.01 54.81 2f2f n LEU 79 Cb 0.14 -0.09 0.69 0.00 -2.33 0.00 0.00 43.42 41.84 2f2f n LEU 79 CO 0.36 0.50 1.25 -0.09 -1.33 0.00 0.00 177.39 178.07 2f2f h ARG 80 N 1.81 0.06 -5.25 3.23 2.43 -1.24 -3.46 114.38 111.96 2f2f h ARG 80 Ca 0.00 -0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.77 2f2f h ARG 80 Cb 0.53 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2f2f h ARG 80 CO 0.00 0.04 -0.60 -3.47 -1.51 0.00 0.00 179.97 174.42 2f2f n ASP 81 N -4.32 -4.75 0.00 -3.80 2.03 -1.26 -1.06 116.55 103.40 2f2f n ASP 81 Ca 0.17 -0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.07 2f2f n ASP 81 Cb 0.88 -3.86 0.00 0.00 -0.72 0.00 0.00 41.12 37.42 2f2f n ASP 81 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2f2f n GLY 82 N -1.38 0.56 3.96 0.27 0.00 -1.26 -4.93 105.19 102.41 2f2f n GLY 82 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 2f2f n GLY 82 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2f2f s GLY 83 N -2.00 1.75 -0.26 -0.02 0.00 -0.22 -4.92 107.32 101.64 2f2f s GLY 83 Ca 0.00 -1.35 -0.06 0.00 0.00 0.00 0.00 44.72 43.30 2f2f s GLY 83 CO 0.00 -0.80 0.05 -1.59 0.00 0.00 0.00 173.10 170.76 2f2f s THR 84 N -3.32 3.98 0.11 0.90 2.01 0.39 -4.85 115.64 114.86 2f2f s THR 84 Ca 0.66 -0.47 -0.31 0.00 0.31 0.00 0.00 61.69 61.88 2f2f s THR 84 Cb -0.07 -2.94 -0.07 0.00 0.01 0.00 0.00 72.50 69.43 2f2f s THR 84 CO 0.46 0.24 1.29 -0.76 -0.69 0.00 0.00 174.62 175.15 2f2f s LEU 85 N 1.54 4.38 0.32 4.42 1.43 -1.26 -0.64 118.68 128.88 2f2f s LEU 85 Ca 0.05 2.20 -0.01 0.00 -1.03 0.00 0.00 54.13 55.34 2f2f s LEU 85 Cb -0.16 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 2f2f s LEU 85 CO 0.02 -0.54 0.40 0.68 0.23 0.00 0.00 176.35 177.13 2f2f s VAL 86 N 0.87 0.00 0.00 -1.59 -7.23 0.44 -1.18 120.40 111.72 2f2f s VAL 86 Ca 0.60 -1.72 -0.02 0.00 -1.81 0.00 0.00 61.98 59.03 2f2f s VAL 86 Cb -0.34 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 2f2f s VAL 86 CO 0.31 0.00 0.04 -1.10 -0.31 0.00 0.00 175.10 174.04 2f2f s GLN 87 N -3.31 0.28 -0.39 4.82 -0.21 0.19 -0.39 119.66 120.65 2f2f s GLN 87 Ca 0.33 -0.36 -0.08 0.00 0.02 0.00 0.00 55.36 55.27 2f2f s GLN 87 Cb 0.01 0.11 0.07 0.00 1.00 0.00 0.00 33.01 34.20 2f2f s GLN 87 CO 0.21 -0.05 0.21 -0.06 -2.12 0.00 0.00 175.29 173.47 2f2f s PHE 88 N -1.02 3.33 0.01 0.91 0.08 -1.26 -2.06 117.98 117.97 2f2f s PHE 88 Ca -0.11 -1.52 -0.09 0.00 0.12 0.00 0.00 56.93 55.33 2f2f s PHE 88 Cb -0.07 -2.76 -0.05 0.00 -0.57 0.00 0.00 43.02 39.57 2f2f s PHE 88 CO -0.00 -0.81 0.32 0.21 -0.10 0.00 0.00 175.22 174.84 2f2f s LYS 89 N 1.41 3.68 0.31 0.44 2.20 -0.49 -0.87 119.74 126.42 2f2f s LYS 89 Ca 0.02 0.09 -0.29 0.00 -0.36 0.00 0.00 55.97 55.43 2f2f s LYS 89 Cb -0.22 -3.10 -0.10 0.00 -1.51 0.00 0.00 37.83 32.91 2f2f s LYS 89 CO 0.02 0.65 1.20 0.08 -0.36 0.00 0.00 175.35 176.94 2f2f s VAL 90 N -1.25 3.10 -0.12 4.02 1.01 0.97 -0.69 120.40 127.45 2f2f s VAL 90 Ca 0.27 1.10 -0.29 0.00 0.00 0.00 0.00 61.98 63.06 2f2f s VAL 90 Cb -0.14 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2f2f s VAL 90 CO 0.15 0.26 1.81 -0.69 0.00 0.00 0.00 175.10 176.62 2f2f s VAL 91 N -1.16 3.39 -0.27 2.92 1.01 -1.26 -2.96 120.40 122.06 2f2f s VAL 91 Ca 0.47 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2f2f s VAL 91 Cb -0.36 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2f2f s VAL 91 CO 0.47 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2f2f n GLY 92 N 4.68 0.29 3.42 4.51 0.00 -1.26 -5.04 105.19 111.78 2f2f n GLY 92 Ca 0.20 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 2f2f n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f2f s ALA 93 N -2.15 -1.43 -0.06 4.61 0.00 -1.16 -5.04 121.76 116.54 2f2f s ALA 93 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2f2f s ALA 93 Cb 0.00 0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.41 2f2f s ALA 93 CO 0.00 -0.43 1.27 0.00 0.00 0.00 0.00 175.76 176.60 2f2f n ALA 94 N 0.68 3.12 -2.54 0.00 0.00 -1.26 -4.31 120.51 116.20 2f2f n ALA 94 Ca -0.19 -0.35 -0.30 0.00 0.00 0.00 0.00 53.44 52.59 2f2f n ALA 94 Cb 0.59 -1.06 -0.11 0.00 0.00 0.00 0.00 19.45 18.87 2f2f n ALA 94 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2f2f s LYS 95 N -0.40 2.17 0.20 0.00 -0.14 -1.26 -2.27 119.74 118.05 2f2f s LYS 95 Ca 0.07 -0.96 0.07 0.00 -1.36 0.00 0.00 55.97 53.79 2f2f s LYS 95 Cb 0.06 -2.30 -0.05 0.00 -1.68 0.00 0.00 37.83 33.86 2f2f s LYS 95 CO 0.01 0.53 -0.13 0.00 -0.76 0.00 0.00 175.35 175.00 2f2f s PHE 97 N -3.02 2.92 -0.06 0.00 5.36 -0.05 -1.29 117.98 121.85 2f2f s PHE 97 Ca 0.22 1.48 -0.02 0.00 -0.96 0.00 0.00 56.93 57.65 2f2f s PHE 97 Cb -0.00 -3.55 0.04 0.00 -0.34 0.00 0.00 43.02 39.17 2f2f s PHE 97 CO 0.06 -1.75 0.12 0.00 -1.46 0.00 0.00 175.22 172.19 2f2f s ALA 98 N -1.33 -0.19 0.27 11.12 0.00 -1.26 -4.46 121.76 125.91 2f2f s ALA 98 Ca 0.57 0.60 -0.20 0.00 0.00 0.00 0.00 51.96 52.94 2f2f s ALA 98 Cb -0.35 -0.41 -0.09 0.00 0.00 0.00 0.00 23.12 22.27 2f2f s ALA 98 CO 0.44 -0.15 0.77 0.12 0.00 0.00 0.00 175.76 176.95 2f2f s PHE 99 N 1.15 3.58 -0.46 0.00 5.99 -1.26 0.17 117.98 127.16 2f2f s PHE 99 Ca -0.09 1.42 -0.03 0.00 0.00 0.00 0.00 56.93 58.24 2f2f s PHE 99 Cb -0.12 -2.66 0.17 0.00 0.00 0.00 0.00 43.02 40.42 2f2f s PHE 99 CO -0.05 0.25 2.39 -0.35 -0.00 0.00 0.00 175.22 177.46 2f2f n PRO 100 N 0.41 2.26 -1.56 10.12 -0.04 -1.26 -4.95 135.00 139.97 2f2f n PRO 100 Ca -0.00 -2.27 -0.40 0.00 -0.04 0.00 0.00 63.50 60.79 2f2f n PRO 100 Cb 0.51 -1.99 -0.04 0.00 -0.04 0.00 0.00 33.50 31.95 2f2f n PRO 100 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2f2f n GLY 101 N 0.41 0.51 0.26 0.55 0.00 0.13 -4.84 105.19 102.20 2f2f n GLY 101 Ca 0.44 0.73 -0.02 0.00 0.00 0.00 0.00 46.02 47.18 2f2f n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2f2f h GLU 102 N 17.33 0.69 0.00 1.61 5.08 -1.97 -3.45 114.58 133.86 2f2f h GLU 102 Ca -0.30 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2f2f h GLU 102 Cb 1.26 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2f2f h GLU 102 CO 1.08 0.45 0.00 0.41 -1.00 0.00 0.00 179.01 179.95 2f2f n GLY 103 N -1.29 4.57 3.90 -3.84 0.00 -1.26 -4.73 105.19 102.54 2f2f n GLY 103 Ca 0.08 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 2f2f n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f2f s THR 104 N 0.39 4.52 0.31 2.61 -4.23 -1.26 -4.11 115.64 113.87 2f2f s THR 104 Ca 0.00 0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.77 2f2f s THR 104 Cb 0.00 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 2f2f s THR 104 CO 0.00 -0.78 0.15 0.28 -0.54 0.00 0.00 174.62 173.73 2f2f s THR 105 N -2.87 0.39 0.18 3.99 -1.32 -0.41 -4.89 115.64 110.71 2f2f s THR 105 Ca 0.50 -2.00 -0.33 0.00 -1.21 0.00 0.00 61.69 58.65 2f2f s THR 105 Cb -0.10 -2.52 -0.14 0.00 -1.51 0.00 0.00 72.50 68.22 2f2f s THR 105 CO 0.46 0.00 1.46 -0.67 -2.21 0.00 0.00 174.62 173.66 2f2f n ASP 106 N -0.90 2.70 0.22 8.08 -0.08 -1.26 -0.54 116.55 124.76 2f2f n ASP 106 Ca 0.00 1.11 0.15 0.00 -1.51 0.00 0.00 54.79 54.55 2f2f n ASP 106 Cb 0.65 -1.39 0.74 0.00 2.34 0.00 0.00 41.12 43.46 2f2f n ASP 106 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2f2f h LYS 108 N 0.00 0.00 -4.79 0.00 6.56 -1.88 -3.36 116.57 113.10 2f2f h LYS 108 Ca 0.00 0.00 -0.73 0.00 -1.06 0.00 0.00 60.65 58.86 2f2f h LYS 108 Cb 0.20 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 31.69 2f2f h LYS 108 CO 0.00 0.00 1.35 0.34 -2.06 0.00 0.00 179.45 179.08 2f2f s ASP 109 N -4.91 7.05 0.23 0.86 2.15 0.02 -4.81 116.67 117.25 2f2f s ASP 109 Ca 0.07 -2.95 -0.07 0.00 0.43 0.00 0.00 52.55 50.04 2f2f s ASP 109 Cb 0.10 -2.41 0.21 0.00 -0.30 0.00 0.00 42.92 40.53 2f2f s ASP 109 CO 0.55 -0.77 1.84 0.16 -0.17 0.00 0.00 175.17 176.78 2f2f h ILE 110 N 4.73 1.26 -0.45 4.11 3.07 -1.83 -2.10 117.51 126.30 2f2f h ILE 110 Ca 0.31 -0.69 0.13 0.00 1.55 0.00 0.00 64.86 66.16 2f2f h ILE 110 Cb 0.88 0.12 -0.02 0.00 -0.27 0.00 0.00 36.82 37.53 2f2f h ILE 110 CO 1.24 0.30 0.38 0.44 -1.05 0.00 0.00 178.15 179.47 2f2f h ASP 111 N 1.22 0.00 0.00 2.16 5.19 -1.94 -1.31 116.42 121.75 2f2f h ASP 111 Ca 0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 2f2f h ASP 111 Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 2f2f h ASP 111 CO -0.04 0.00 -0.72 1.41 -3.12 0.00 0.00 179.24 176.76 2f2f n HIS 112 N -4.06 0.00 0.32 4.55 8.25 -1.10 -4.56 115.22 118.61 2f2f n HIS 112 Ca 0.08 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.58 2f2f n HIS 112 Cb 0.58 -0.06 0.02 0.00 1.12 0.00 0.00 29.99 31.64 2f2f n HIS 112 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2f2f n THR 113 N -1.39 0.00 -3.51 1.59 -2.24 -0.81 -3.98 114.28 103.94 2f2f n THR 113 Ca 0.01 -0.47 -0.38 0.00 -2.27 0.00 0.00 64.05 60.94 2f2f n THR 113 Cb 0.18 1.13 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 2f2f n THR 113 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2f2f s VAL 114 N -0.83 5.25 0.48 2.28 1.01 -0.54 -4.48 120.40 123.57 2f2f s VAL 114 Ca 0.08 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.46 2f2f s VAL 114 Cb 0.06 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 2f2f s VAL 114 CO 0.13 0.21 0.34 -0.36 0.00 0.00 0.00 175.10 175.42 2f2f s PHE 115 N 1.88 2.17 -0.21 5.22 0.08 0.47 -0.98 117.98 126.62 2f2f s PHE 115 Ca 0.10 -0.68 -0.02 0.00 0.12 0.00 0.00 56.93 56.45 2f2f s PHE 115 Cb -0.16 -2.00 0.06 0.00 -0.57 0.00 0.00 43.02 40.36 2f2f s PHE 115 CO 0.10 -0.21 0.03 1.21 -0.10 0.00 0.00 175.22 176.25 2f2f s ASN 116 N -4.14 3.11 -0.16 1.36 2.47 0.18 -0.42 114.94 117.33 2f2f s ASN 116 Ca 0.39 -0.91 -0.29 0.00 0.42 0.00 0.00 52.86 52.47 2f2f s ASN 116 Cb -0.01 -0.69 -0.00 0.00 -1.45 0.00 0.00 41.25 39.09 2f2f s ASN 116 CO 0.23 -0.30 1.00 -0.76 -3.72 0.00 0.00 177.10 173.55 2f2f s LEU 117 N 1.78 4.18 -0.23 3.21 1.43 0.19 -1.64 118.68 127.61 2f2f s LEU 117 Ca -0.01 1.44 -0.02 0.00 -1.03 0.00 0.00 54.13 54.50 2f2f s LEU 117 Cb -0.17 -3.51 0.01 0.00 0.03 0.00 0.00 46.19 42.54 2f2f s LEU 117 CO -0.09 -0.53 -0.08 -0.63 0.23 0.00 0.00 176.35 175.26 2f2f s ILE 118 N 2.48 2.95 0.60 -0.59 -1.09 -0.43 -0.46 121.20 124.65 2f2f s ILE 118 Ca 0.46 -0.79 -0.17 0.00 -2.23 0.00 0.00 60.65 57.92 2f2f s ILE 118 Cb -0.17 -2.40 -0.03 0.00 -1.58 0.00 0.00 42.46 38.28 2f2f s ILE 118 CO 0.13 0.34 1.08 -2.16 -1.23 0.00 0.00 174.94 173.11 2f2f s PRO 119 N 1.38 3.20 0.36 2.79 0.04 -1.26 -1.78 135.00 139.74 2f2f s PRO 119 Ca 0.03 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.45 2f2f s PRO 119 Cb -0.15 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 2f2f s PRO 119 CO -0.05 -0.92 0.10 0.95 0.04 0.00 0.00 177.00 177.11 2f2f s THR 120 N -2.26 0.80 -1.46 1.26 -4.23 -1.22 -4.89 115.64 103.65 2f2f s THR 120 Ca 0.67 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.44 2f2f s THR 120 Cb -0.19 -2.53 0.48 0.00 1.34 0.00 0.00 72.50 71.60 2f2f s THR 120 CO 0.35 0.00 1.91 -0.46 -0.54 0.00 0.00 174.62 175.88 2f2f n ASN 121 N -1.00 0.00 -0.00 3.99 6.94 -1.26 -3.65 115.26 120.28 2f2f n ASN 121 Ca -0.04 -0.13 0.05 0.00 -0.02 0.00 0.00 54.58 54.44 2f2f n ASN 121 Cb 0.66 -0.27 -0.07 0.00 -2.36 0.00 0.00 39.78 37.74 2f2f n ASN 121 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2f2f n THR 122 N -1.27 0.00 0.00 5.53 -2.24 -1.26 -4.99 114.28 110.05 2f2f n THR 122 Ca 0.13 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2f2f n THR 122 Cb 0.21 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 2f2f n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f2f n GLY 123 N 1.45 0.47 3.90 3.38 0.00 -1.24 -5.08 105.19 108.06 2f2f n GLY 123 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2f2f n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f2f s ALA 124 N -2.00 3.12 0.04 4.61 0.00 -1.26 -4.84 121.76 121.42 2f2f s ALA 124 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.57 2f2f s ALA 124 Cb 0.00 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 2f2f s ALA 124 CO 0.00 -0.88 -0.18 -0.06 0.00 0.00 0.00 175.76 174.64 2f2f s PHE 125 N -3.14 1.57 -0.08 0.00 0.08 0.53 -3.42 117.98 113.50 2f2f s PHE 125 Ca 0.55 -0.36 -0.10 0.00 0.12 0.00 0.00 56.93 57.14 2f2f s PHE 125 Cb -0.11 -0.93 -0.05 0.00 -0.57 0.00 0.00 43.02 41.36 2f2f s PHE 125 CO 0.49 0.07 0.24 -0.51 -0.10 0.00 0.00 175.22 175.41 2f2f s LEU 126 N -1.13 4.40 -0.15 -0.37 1.02 -0.73 -0.28 118.68 121.43 2f2f s LEU 126 Ca 0.05 0.63 0.00 0.00 0.02 0.00 0.00 54.13 54.84 2f2f s LEU 126 Cb -0.08 -2.27 0.02 0.00 0.02 0.00 0.00 46.19 43.88 2f2f s LEU 126 CO 0.01 0.35 -0.15 -0.63 0.02 0.00 0.00 176.35 175.95 2f2f s ILE 127 N -0.89 1.66 0.30 -0.59 1.01 -1.26 -1.32 121.20 120.12 2f2f s ILE 127 Ca 0.18 -0.69 0.09 0.00 0.00 0.00 0.00 60.65 60.22 2f2f s ILE 127 Cb -0.14 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2f2f s ILE 127 CO 0.07 0.47 0.10 -0.54 0.00 0.00 0.00 174.94 175.05 2f2f s LYS 128 N 1.44 2.42 0.06 2.79 1.02 -0.65 0.14 119.74 126.96 2f2f s LYS 128 Ca 0.05 -1.44 -0.18 0.00 0.02 0.00 0.00 55.97 54.41 2f2f s LYS 128 Cb -0.13 -2.22 -0.07 0.00 -0.52 0.00 0.00 37.83 34.89 2f2f s LYS 128 CO -0.11 0.23 0.54 0.16 -0.92 0.00 0.00 175.35 175.26 2f2f s ASP 129 N -3.79 7.02 0.19 2.83 -4.77 -0.59 0.47 116.67 118.04 2f2f s ASP 129 Ca 0.35 1.21 -0.10 0.00 -3.30 0.00 0.00 52.55 50.71 2f2f s ASP 129 Cb -0.05 -2.34 0.11 0.00 -1.09 0.00 0.00 42.92 39.56 2f2f s ASP 129 CO 0.22 0.28 1.75 0.00 0.70 0.00 0.00 175.17 178.12 2f2f h ALA 130 N 4.53 0.89 0.64 2.11 0.00 -1.32 -0.72 119.26 125.40 2f2f h ALA 130 Ca -0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 2f2f h ALA 130 Cb 1.21 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.74 2f2f h ALA 130 CO 0.63 0.52 -0.31 1.25 0.00 0.00 0.00 179.25 181.34 2f2f h LEU 131 N 0.98 -0.73 0.00 0.00 5.85 -1.80 -3.36 115.31 116.25 2f2f h LEU 131 Ca 0.23 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 2f2f h LEU 131 Cb 0.21 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2f2f h LEU 131 CO -0.02 -0.48 -1.53 0.18 -0.34 0.00 0.00 178.44 176.26 2f2f n LEU 132 N -5.44 0.58 -0.31 2.25 4.77 -1.24 -4.97 117.00 112.63 2f2f n LEU 132 Ca -0.13 0.24 -0.03 0.00 -0.03 0.00 0.00 56.01 56.06 2f2f n LEU 132 Cb 0.36 0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2f2f n LEU 132 CO 0.37 0.05 -0.04 0.61 -1.33 0.00 0.00 177.39 177.05 2f2f n GLY 133 N 1.34 0.44 3.90 -0.72 0.00 -0.28 -5.02 105.19 104.86 2f2f n GLY 133 Ca -0.08 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 2f2f n GLY 133 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f2f s PHE 134 N -2.14 3.47 -0.06 1.61 0.40 -1.26 -4.56 117.98 115.45 2f2f s PHE 134 Ca 0.00 0.70 -0.16 0.00 -0.60 0.00 0.00 56.93 56.87 2f2f s PHE 134 Cb 0.00 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.32 2f2f s PHE 134 CO 0.00 0.13 0.43 0.00 0.70 0.00 0.00 175.22 176.48 2f2f s MET 136 N -0.27 4.45 0.15 0.00 1.75 0.12 -1.62 119.30 123.88 2f2f s MET 136 Ca 0.24 0.94 0.01 0.00 -1.25 0.00 0.00 55.69 55.63 2f2f s MET 136 Cb -0.16 -3.44 -0.04 0.00 2.84 0.00 0.00 34.83 34.03 2f2f s MET 136 CO 0.11 0.08 0.01 0.95 -0.65 0.00 0.00 175.02 175.52 2f2f s THR 137 N 0.73 0.51 -0.15 10.11 -4.23 0.58 -4.59 115.64 118.61 2f2f s THR 137 Ca 0.39 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 2f2f s THR 137 Cb -0.18 -2.02 0.07 0.00 1.34 0.00 0.00 72.50 71.70 2f2f s THR 137 CO 0.19 -0.54 0.17 -0.55 -0.54 0.00 0.00 174.62 173.35 2f2f s SER 138 N -3.11 1.31 0.00 3.99 0.15 -0.69 -0.61 113.70 114.74 2f2f s SER 138 Ca 0.22 -0.07 0.23 0.00 0.70 0.00 0.00 55.95 57.02 2f2f s SER 138 Cb 0.06 0.22 0.05 0.00 -1.71 0.00 0.00 66.02 64.64 2f2f s SER 138 CO 0.02 -0.30 1.10 1.41 1.20 0.00 0.00 173.24 176.67 2f2f n HIS 139 N 5.31 0.00 -3.75 3.44 8.25 -1.25 -4.48 115.22 122.74 2f2f n HIS 139 Ca -0.05 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.40 2f2f n HIS 139 Cb 0.50 -0.06 -0.00 0.00 1.12 0.00 0.00 29.99 31.54 2f2f n HIS 139 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2f2f s ASP 140 N -2.85 -0.08 0.24 0.41 -1.08 -1.26 -5.03 116.67 107.03 2f2f s ASP 140 Ca 0.12 -0.33 -0.31 0.00 -0.52 0.00 0.00 52.55 51.52 2f2f s ASP 140 Cb 0.17 0.32 -0.14 0.00 -1.46 0.00 0.00 42.92 41.81 2f2f s ASP 140 CO 0.74 -0.61 1.21 0.49 0.52 0.00 0.00 175.17 177.52 2f2f n PHE 141 N -0.57 1.64 -1.54 -5.34 3.72 -1.26 -0.85 117.46 113.25 2f2f n PHE 141 Ca -0.05 0.60 -0.17 0.00 -0.05 0.00 0.00 57.45 57.77 2f2f n PHE 141 Cb 0.61 -2.34 -0.07 0.00 -0.94 0.00 0.00 39.48 36.74 2f2f n PHE 141 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2f2f n ASP 142 N 1.75 -4.60 -4.37 4.37 8.00 -1.26 -4.95 116.55 115.50 2f2f n ASP 142 Ca 0.12 0.42 -0.37 0.00 0.71 0.00 0.00 54.79 55.67 2f2f n ASP 142 Cb 0.30 -4.13 -0.13 0.00 -0.02 0.00 0.00 41.12 37.14 2f2f n ASP 142 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2f2f s ASP 143 N -2.46 4.99 -0.05 -2.24 2.15 -0.03 -5.07 116.67 113.96 2f2f s ASP 143 Ca 0.00 -0.51 0.00 0.00 0.43 0.00 0.00 52.55 52.47 2f2f s ASP 143 Cb 0.00 -1.87 0.02 0.00 -0.30 0.00 0.00 42.92 40.78 2f2f s ASP 143 CO 0.00 -0.12 -0.03 -0.22 -0.17 0.00 0.00 175.17 174.63 2f2f s LEU 144 N 1.53 1.14 0.11 -1.34 2.96 -1.26 -3.89 118.68 117.93 2f2f s LEU 144 Ca 0.04 -0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 53.84 2f2f s LEU 144 Cb -0.16 -0.43 -0.04 0.00 0.50 0.00 0.00 46.19 46.06 2f2f s LEU 144 CO 0.02 -0.09 0.01 0.00 -1.32 0.00 0.00 176.35 174.96 2f2f s ARG 145 N 1.18 0.86 -0.27 1.98 1.70 0.22 -4.98 118.95 119.64 2f2f s ARG 145 Ca -0.07 -1.38 0.01 0.00 -0.47 0.00 0.00 55.73 53.82 2f2f s ARG 145 Cb -0.14 0.09 0.08 0.00 -0.57 0.00 0.00 34.95 34.41 2f2f s ARG 145 CO -0.01 -0.17 0.00 -1.17 -1.08 0.00 0.00 175.30 172.87 2f2f s LEU 146 N -3.03 3.03 0.08 -1.89 2.96 -1.26 -0.30 118.68 118.26 2f2f s LEU 146 Ca 0.18 -1.50 0.07 0.00 -0.22 0.00 0.00 54.13 52.66 2f2f s LEU 146 Cb 0.07 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.50 2f2f s LEU 146 CO -0.02 -0.30 -0.19 -1.83 -1.32 0.00 0.00 176.35 172.69 2f2f s GLU 147 N 1.32 1.08 0.29 1.98 -1.05 -0.64 -4.89 118.70 116.79 2f2f s GLU 147 Ca 0.01 -1.06 -0.30 0.00 -0.15 0.00 0.00 54.97 53.47 2f2f s GLU 147 Cb -0.19 -1.25 -0.12 0.00 -0.44 0.00 0.00 34.13 32.14 2f2f s GLU 147 CO -0.10 0.29 1.62 -2.30 0.95 0.00 0.00 175.26 175.72 2f2f n PRO 148 N 1.28 2.75 -0.29 -4.83 -0.02 -1.26 -0.93 135.00 131.70 2f2f n PRO 148 Ca -0.19 0.98 0.08 0.00 -2.02 0.00 0.00 63.50 62.34 2f2f n PRO 148 Cb 0.54 -2.78 0.14 0.00 -0.02 0.00 0.00 33.50 31.38 2f2f n PRO 148 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2f2f n GLY 150 N -1.14 -3.40 0.09 0.00 0.00 -1.26 -4.62 105.19 94.86 2f2f n GLY 150 Ca 0.15 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.01 2f2f n GLY 150 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2f2f h ILE 151 N 0.00 1.61 -3.20 -0.61 -2.65 -1.99 -3.46 117.51 107.20 2f2f h ILE 151 Ca 0.00 -3.14 -0.13 0.00 1.03 0.00 0.00 64.86 62.62 2f2f h ILE 151 Cb 0.00 2.79 -0.20 0.00 -2.05 0.00 0.00 36.82 37.35 2f2f h ILE 151 CO 0.00 0.91 -0.36 -0.55 0.03 0.00 0.00 178.15 178.18 2f2f s SER 152 N -6.88 -0.12 0.00 2.16 0.15 -1.26 -4.96 113.70 102.79 2f2f s SER 152 Ca -0.01 0.00 0.12 0.00 0.70 0.00 0.00 55.95 56.76 2f2f s SER 152 Cb 0.09 0.29 0.08 0.00 -1.71 0.00 0.00 66.02 64.77 2f2f s SER 152 CO 0.84 -0.41 0.85 1.33 1.20 0.00 0.00 173.24 177.06 2f2f n VAL 153 N 1.41 0.00 -1.66 4.45 0.24 -1.26 -4.96 118.33 116.55 2f2f n VAL 153 Ca -0.22 -0.48 -0.46 0.00 -2.04 0.00 0.00 64.34 61.15 2f2f n VAL 153 Cb 0.56 1.24 -0.03 0.00 -1.47 0.00 0.00 33.84 34.13 2f2f n VAL 153 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2f2f n SER 154 N 0.52 2.68 0.00 -1.34 7.64 -1.26 -1.85 113.62 120.01 2f2f n SER 154 Ca 0.07 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.07 2f2f n SER 154 Cb 0.30 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 2f2f n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f2f n GLY 155 N 2.51 2.10 3.86 0.23 0.00 -1.26 -4.98 105.19 107.65 2f2f n GLY 155 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2f2f n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f2f s ARG 156 N 0.00 3.87 -0.01 1.61 0.52 -0.77 -5.08 118.95 119.09 2f2f s ARG 156 Ca 0.00 0.65 0.05 0.00 -0.52 0.00 0.00 55.73 55.91 2f2f s ARG 156 Cb 0.00 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 2f2f s ARG 156 CO 0.00 -0.08 -0.15 0.95 0.02 0.00 0.00 175.30 176.04 2f2f s THR 157 N -2.39 2.99 0.15 0.02 -4.23 -1.26 -5.06 115.64 105.87 2f2f s THR 157 Ca 0.54 -0.91 0.06 0.00 -1.18 0.00 0.00 61.69 60.20 2f2f s THR 157 Cb -0.10 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 2f2f s THR 157 CO 0.29 0.47 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.34 2f2f s PHE 158 N -0.83 1.50 0.76 3.99 0.08 -1.26 -5.15 117.98 117.07 2f2f s PHE 158 Ca 0.13 -0.59 -0.10 0.00 0.12 0.00 0.00 56.93 56.50 2f2f s PHE 158 Cb -0.11 -0.75 0.07 0.00 -0.57 0.00 0.00 43.02 41.67 2f2f s PHE 158 CO 0.03 0.20 1.11 -1.54 -0.10 0.00 0.00 175.22 174.93 2f2f s SER 159 N -2.82 4.65 0.60 1.36 1.04 -1.26 -4.94 113.70 112.34 2f2f s SER 159 Ca 0.14 0.66 0.29 0.00 0.48 0.00 0.00 55.95 57.53 2f2f s SER 159 Cb -0.03 -1.22 1.61 0.00 0.10 0.00 0.00 66.02 66.48 2f2f s SER 159 CO 0.04 -1.77 2.00 -0.07 0.98 0.00 0.00 173.24 174.42 2f2f h LEU 160 N -0.86 0.00 -1.63 2.42 3.38 -1.95 -1.66 115.31 115.01 2f2f h LEU 160 Ca -0.45 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.58 2f2f h LEU 160 Cb 1.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 2f2f h LEU 160 CO 0.64 0.00 0.35 0.00 0.09 0.00 0.00 178.44 179.51 2f2f h ALA 161 N 1.59 1.90 -0.00 1.53 0.00 -1.92 -0.95 119.26 121.40 2f2f h ALA 161 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2f2f h ALA 161 Cb 0.77 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2f2f h ALA 161 CO -0.00 0.01 -0.40 0.66 0.00 0.00 0.00 179.25 179.52 2f2f n TYR 162 N -4.47 0.00 -3.69 0.00 4.01 -0.63 -1.71 117.16 110.68 2f2f n TYR 162 Ca 0.07 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.45 2f2f n TYR 162 Cb 0.25 -0.15 -0.06 0.00 -0.31 0.00 0.00 39.34 39.07 2f2f n TYR 162 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2f2f s GLN 163 N -2.71 3.67 0.03 -0.72 -0.21 -0.36 -4.35 119.66 115.01 2f2f s GLN 163 Ca 0.18 0.10 0.05 0.00 0.02 0.00 0.00 55.36 55.71 2f2f s GLN 163 Cb 0.18 -3.14 -0.02 0.00 1.00 0.00 0.00 33.01 31.03 2f2f s GLN 163 CO 0.61 0.69 -0.15 -1.58 -2.12 0.00 0.00 175.29 172.73 2f2f s TRP 164 N -1.17 1.33 -0.15 0.91 0.52 0.61 -0.89 118.94 120.11 2f2f s TRP 164 Ca 0.24 -0.33 -0.02 0.00 0.02 0.00 0.00 56.10 56.01 2f2f s TRP 164 Cb -0.14 -0.80 -0.02 0.00 -1.15 0.00 0.00 33.47 31.36 2f2f s TRP 164 CO 0.12 0.03 -0.09 0.20 0.02 0.00 0.00 176.95 177.23 2f2f s GLY 165 N -0.99 1.60 -0.75 0.98 0.00 0.24 -0.35 107.32 108.05 2f2f s GLY 165 Ca 0.03 -0.89 -0.17 0.00 0.00 0.00 0.00 44.72 43.69 2f2f s GLY 165 CO 0.01 -0.10 0.83 -0.42 0.00 0.00 0.00 173.10 173.42 2f2f s ILE 166 N 0.44 5.05 0.47 0.90 1.01 -1.26 -1.93 121.20 125.87 2f2f s ILE 166 Ca -0.07 -1.62 0.05 0.00 0.00 0.00 0.00 60.65 59.01 2f2f s ILE 166 Cb -0.15 -4.56 -0.02 0.00 0.01 0.00 0.00 42.46 37.74 2f2f s ILE 166 CO 0.04 -1.19 0.18 -0.76 0.00 0.00 0.00 174.94 173.21 2f2f s LEU 167 N 1.88 2.82 0.67 2.97 1.43 -0.78 -4.94 118.68 122.73 2f2f s LEU 167 Ca 0.19 -1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 51.85 2f2f s LEU 167 Cb -0.15 -1.18 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 2f2f s LEU 167 CO -0.03 -0.74 0.97 -2.65 0.23 0.00 0.00 176.35 174.13 2f2f n PRO 168 N -1.35 0.70 -1.94 1.29 -0.02 -1.26 -0.77 135.00 131.65 2f2f n PRO 168 Ca -0.06 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 2f2f n PRO 168 Cb 0.65 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 2f2f n PRO 168 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2f2f s PRO 169 N -3.08 4.20 0.26 0.52 0.04 -1.26 -3.88 135.00 131.81 2f2f s PRO 169 Ca 0.75 2.32 -0.31 0.00 0.04 0.00 0.00 61.00 63.81 2f2f s PRO 169 Cb -0.38 -3.52 -0.12 0.00 0.04 0.00 0.00 34.50 30.52 2f2f s PRO 169 CO 0.48 -0.70 1.55 0.34 0.04 0.00 0.00 177.00 178.71 2f2f n PHE 170 N 5.29 2.60 -0.50 0.56 7.35 -1.26 -4.80 117.46 126.69 2f2f n PHE 170 Ca 0.15 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 57.13 2f2f n PHE 170 Cb 0.40 -2.56 0.00 0.00 0.35 0.00 0.00 39.48 37.67 2f2f n PHE 170 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2f2f n GLY 171 N 2.43 0.60 3.89 7.13 0.00 -1.26 -4.75 105.19 113.23 2f2f n GLY 171 Ca 0.11 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 2f2f n GLY 171 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2f2f s PRO 172 N -2.00 2.94 0.06 1.61 0.04 -1.26 -5.09 135.00 131.29 2f2f s PRO 172 Ca 0.00 0.38 -0.27 0.00 0.04 0.00 0.00 61.00 61.15 2f2f s PRO 172 Cb 0.00 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.55 2f2f s PRO 172 CO 0.00 -0.92 0.86 -1.54 0.04 0.00 0.00 177.00 175.44 2f2f s SER 173 N -4.33 -0.35 -0.02 6.66 1.04 -1.26 -5.09 113.70 110.35 2f2f s SER 173 Ca 0.57 -0.11 0.06 0.00 0.48 0.00 0.00 55.95 56.95 2f2f s SER 173 Cb -0.11 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 2f2f s SER 173 CO 0.50 -0.75 -0.20 -0.75 0.98 0.00 0.00 173.24 173.03 2f2f s LYS 174 N -3.26 1.74 0.16 4.02 2.20 -1.26 -5.11 119.74 118.24 2f2f s LYS 174 Ca 0.06 -0.72 -0.31 0.00 -0.36 0.00 0.00 55.97 54.64 2f2f s LYS 174 Cb -0.01 -1.63 -0.10 0.00 -1.51 0.00 0.00 37.83 34.58 2f2f s LYS 174 CO -0.07 0.40 1.50 0.42 -0.36 0.00 0.00 175.35 177.25 2f2f s ILE 175 N -0.36 2.80 -0.13 5.43 1.01 -1.26 -4.96 121.20 123.73 2f2f s ILE 175 Ca 0.05 0.59 -0.28 0.00 0.00 0.00 0.00 60.65 61.01 2f2f s ILE 175 Cb -0.09 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 2f2f s ILE 175 CO 0.00 0.05 0.93 -0.76 0.00 0.00 0.00 174.94 175.16 2f2f s LEU 176 N 0.93 4.22 -0.12 2.97 1.43 -1.26 -5.04 118.68 121.81 2f2f s LEU 176 Ca 0.67 1.38 -0.02 0.00 -1.03 0.00 0.00 54.13 55.13 2f2f s LEU 176 Cb -0.42 -3.41 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 2f2f s LEU 176 CO 0.32 -0.42 -0.06 -0.13 0.23 0.00 0.00 176.35 176.30 2f2f s ARG 177 N 2.03 3.32 0.00 1.70 1.81 -1.26 -5.36 118.95 121.18 2f2f s ARG 177 Ca 0.44 -0.54 0.23 0.00 -1.72 0.00 0.00 55.73 54.14 2f2f s ARG 177 Cb -0.17 -2.77 1.40 0.00 -0.45 0.00 0.00 34.95 32.95 2f2f s ARG 177 CO 0.16 0.39 1.76 -0.35 -0.68 0.00 0.00 175.30 176.58