#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e8m s SER 2 N 0.00 1.17 0.22 1.61 0.15 -1.26 -5.16 113.70 110.43 2e8m s SER 2 Ca 0.00 -0.81 -0.22 0.00 0.70 0.00 0.00 55.95 55.62 2e8m s SER 2 Cb 0.00 0.05 0.04 0.00 -1.71 0.00 0.00 66.02 64.40 2e8m s SER 2 CO 0.00 -0.32 0.68 -0.55 1.20 0.00 0.00 173.24 174.25 2e8m s SER 3 N -2.42 -0.39 -0.65 5.45 0.15 -1.26 -5.11 113.70 109.48 2e8m s SER 3 Ca 0.03 -0.35 -0.27 0.00 0.70 0.00 0.00 55.95 56.07 2e8m s SER 3 Cb -0.02 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 2e8m s SER 3 CO -0.02 -1.17 1.58 -0.83 1.20 0.00 0.00 173.24 174.00 2e8m s GLY 4 N -2.84 0.56 -0.15 9.45 0.00 -1.26 -4.93 107.32 108.14 2e8m s GLY 4 Ca 0.07 -0.91 -0.06 0.00 0.00 0.00 0.00 44.72 43.82 2e8m s GLY 4 CO -0.01 3.05 0.32 -1.35 0.00 0.00 0.00 173.10 175.10 2e8m s SER 5 N 5.94 0.07 0.57 1.64 1.04 -1.26 -5.16 113.70 116.53 2e8m s SER 5 Ca 0.53 0.72 0.06 0.00 0.48 0.00 0.00 55.95 57.75 2e8m s SER 5 Cb -0.11 0.87 0.06 0.00 0.10 0.00 0.00 66.02 66.94 2e8m s SER 5 CO 0.19 -0.23 0.50 -0.94 0.98 0.00 0.00 173.24 173.74 2e8m s SER 6 N 2.32 4.68 0.00 7.02 1.04 -1.26 -5.13 113.70 122.37 2e8m s SER 6 Ca -0.01 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.19 2e8m s SER 6 Cb -0.12 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2e8m s SER 6 CO -0.10 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.50 2e8m n GLY 7 N -1.91 -0.51 2.22 7.32 0.00 -1.26 -5.10 105.19 105.95 2e8m n GLY 7 Ca 0.02 0.83 -0.24 0.00 0.00 0.00 0.00 46.02 46.62 2e8m n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2e8m n THR 8 N 0.00 -0.47 -0.08 2.61 -2.24 -1.26 -4.91 114.28 107.92 2e8m n THR 8 Ca 0.00 -4.08 -0.17 0.00 -2.27 0.00 0.00 64.05 57.53 2e8m n THR 8 Cb 0.00 -1.96 -0.13 0.00 -2.10 0.00 0.00 70.33 66.14 2e8m n THR 8 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2e8m n ILE 9 N 1.45 1.56 0.00 2.28 2.08 -1.26 -5.06 119.36 120.40 2e8m n ILE 9 Ca 0.22 -0.66 0.00 0.00 0.56 0.00 0.00 62.75 62.87 2e8m n ILE 9 Cb 0.52 -1.31 0.00 0.00 -0.75 0.00 0.00 39.64 38.10 2e8m n ILE 9 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2e8m n GLY 10 N 2.05 0.79 3.66 7.39 0.00 -1.26 -4.99 105.19 112.83 2e8m n GLY 10 Ca -0.38 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 2e8m n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e8m s ARG 11 N -1.65 4.16 -0.97 1.61 0.52 -1.26 -2.81 118.95 118.55 2e8m s ARG 11 Ca 0.00 2.41 -0.03 0.00 -0.52 0.00 0.00 55.73 57.59 2e8m s ARG 11 Cb 0.00 -4.03 -0.04 0.00 0.52 0.00 0.00 34.95 31.40 2e8m s ARG 11 CO 0.00 -0.89 0.84 0.43 0.02 0.00 0.00 175.30 175.70 2e8m n SER 12 N 7.18 -4.59 -4.68 0.23 7.64 -1.26 -4.97 113.62 113.17 2e8m n SER 12 Ca 0.18 -0.60 -0.40 0.00 1.01 0.00 0.00 58.87 59.07 2e8m n SER 12 Cb 0.42 -4.62 -0.05 0.00 -1.01 0.00 0.00 64.21 58.94 2e8m n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2e8m s ALA 13 N -3.33 3.48 -0.71 -0.43 0.00 -1.12 -5.01 121.76 114.63 2e8m s ALA 13 Ca 0.25 -0.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.93 2e8m s ALA 13 Cb -0.03 -3.04 0.07 0.00 0.00 0.00 0.00 23.12 20.11 2e8m s ALA 13 CO 0.65 -0.45 1.04 0.00 0.00 0.00 0.00 175.76 177.00 2e8m s ALA 14 N 1.65 3.08 0.11 0.00 0.00 -1.26 -5.02 121.76 120.31 2e8m s ALA 14 Ca 0.34 -1.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.32 2e8m s ALA 14 Cb -0.17 -3.95 -0.06 0.00 0.00 0.00 0.00 23.12 18.94 2e8m s ALA 14 CO 0.13 -2.89 0.42 -1.14 0.00 0.00 0.00 175.76 172.28 2e8m s GLN 15 N 4.17 3.77 -0.01 0.00 -0.44 -1.26 -5.09 119.66 120.79 2e8m s GLN 15 Ca 0.26 0.18 -0.22 0.00 -2.50 0.00 0.00 55.36 53.07 2e8m s GLN 15 Cb -0.14 -2.94 0.05 0.00 -1.64 0.00 0.00 33.01 28.33 2e8m s GLN 15 CO 0.08 0.52 0.48 0.21 0.50 0.00 0.00 175.29 177.09 2e8m s LYS 16 N -2.08 0.89 0.69 1.67 2.47 -1.26 -5.16 119.74 116.96 2e8m s LYS 16 Ca 0.36 -0.05 -0.16 0.00 -1.56 0.00 0.00 55.97 54.55 2e8m s LYS 16 Cb -0.14 0.41 0.01 0.00 -1.46 0.00 0.00 37.83 36.66 2e8m s LYS 16 CO 0.19 -0.28 1.23 0.15 0.16 0.00 0.00 175.35 176.81 2e8m s LYS 17 N -1.55 2.37 -0.26 4.03 1.02 -1.26 -5.00 119.74 119.08 2e8m s LYS 17 Ca -0.11 1.86 -0.06 0.00 0.02 0.00 0.00 55.97 57.68 2e8m s LYS 17 Cb -0.02 -1.85 -0.01 0.00 -0.52 0.00 0.00 37.83 35.43 2e8m s LYS 17 CO 0.05 -1.69 0.05 -0.06 -0.92 0.00 0.00 175.35 172.78 2e8m s PHE 18 N -1.76 3.08 -0.55 3.18 0.08 -1.26 -5.05 117.98 115.70 2e8m s PHE 18 Ca 0.77 -0.72 -0.27 0.00 0.12 0.00 0.00 56.93 56.83 2e8m s PHE 18 Cb -0.32 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 39.90 2e8m s PHE 18 CO 0.42 -0.47 1.85 -1.01 -0.10 0.00 0.00 175.22 175.91 2e8m s HIS 19 N 1.55 1.69 0.21 0.36 3.76 -1.26 -4.97 115.29 116.64 2e8m s HIS 19 Ca 0.05 0.78 0.11 0.00 -0.15 0.00 0.00 55.06 55.85 2e8m s HIS 19 Cb -0.16 -4.09 -0.04 0.00 1.11 0.00 0.00 32.58 29.40 2e8m s HIS 19 CO 0.02 -2.43 -0.16 0.14 -0.85 0.00 0.00 174.74 171.46 2e8m s VAL 20 N 8.65 2.75 0.23 -0.90 -7.23 -1.26 -5.11 120.40 117.52 2e8m s VAL 20 Ca 0.70 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.61 2e8m s VAL 20 Cb -0.15 -2.37 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 2e8m s VAL 20 CO 0.24 -0.19 1.28 -2.16 -0.31 0.00 0.00 175.10 173.96 2e8m s PRO 21 N -2.96 4.41 0.51 4.82 0.04 -1.26 -4.99 135.00 135.57 2e8m s PRO 21 Ca 0.25 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.12 2e8m s PRO 21 Cb -0.08 -3.17 -0.06 0.00 0.04 0.00 0.00 34.50 31.23 2e8m s PRO 21 CO 0.13 -0.19 1.22 -0.98 0.04 0.00 0.00 177.00 177.23 2e8m s ARG 22 N -0.56 3.42 -0.27 4.56 1.70 -1.26 -5.01 118.95 121.53 2e8m s ARG 22 Ca 0.54 1.89 -0.04 0.00 -0.47 0.00 0.00 55.73 57.65 2e8m s ARG 22 Cb -0.36 -2.25 0.02 0.00 -0.57 0.00 0.00 34.95 31.79 2e8m s ARG 22 CO 0.41 -0.86 -0.00 -1.14 -1.08 0.00 0.00 175.30 172.63 2e8m s GLN 23 N -2.91 2.93 -0.06 3.89 2.00 -1.26 -5.07 119.66 119.17 2e8m s GLN 23 Ca 0.69 -0.94 -0.30 0.00 -2.00 0.00 0.00 55.36 52.81 2e8m s GLN 23 Cb -0.32 -3.15 -0.05 0.00 0.80 0.00 0.00 33.01 30.29 2e8m s GLN 23 CO 0.37 -0.43 1.58 -0.80 -0.50 0.00 0.00 175.29 175.51 2e8m s ASN 24 N 1.39 6.72 0.10 6.67 0.01 -1.26 -5.00 114.94 123.58 2e8m s ASN 24 Ca 0.01 2.16 0.07 0.00 -0.71 0.00 0.00 52.86 54.38 2e8m s ASN 24 Cb -0.17 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 38.92 2e8m s ASN 24 CO -0.01 -0.88 -0.16 0.68 -1.51 0.00 0.00 177.10 175.21 2e8m s VAL 25 N 3.76 1.42 0.87 1.60 -7.23 -1.26 -5.15 120.40 114.41 2e8m s VAL 25 Ca 0.70 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 59.20 2e8m s VAL 25 Cb -0.32 -1.42 0.11 0.00 0.56 0.00 0.00 36.38 35.31 2e8m s VAL 25 CO 0.27 -0.24 1.09 -2.16 -0.31 0.00 0.00 175.10 173.75 2e8m s PRO 26 N -2.17 1.48 0.33 4.82 0.04 -1.26 -4.98 135.00 133.25 2e8m s PRO 26 Ca 0.05 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 61.70 2e8m s PRO 26 Cb -0.08 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 2e8m s PRO 26 CO 0.03 -2.11 1.30 0.08 0.04 0.00 0.00 177.00 176.34 2e8m s VAL 27 N -2.93 2.77 -0.04 -0.36 1.01 -1.26 -5.03 120.40 114.56 2e8m s VAL 27 Ca 0.63 0.77 0.01 0.00 0.00 0.00 0.00 61.98 63.39 2e8m s VAL 27 Cb -0.18 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2e8m s VAL 27 CO 0.57 0.18 -0.04 -0.63 0.00 0.00 0.00 175.10 175.18 2e8m s ILE 28 N -1.11 3.91 0.04 2.22 -1.09 -1.26 -5.12 121.20 118.79 2e8m s ILE 28 Ca 0.49 -0.52 -0.12 0.00 -2.23 0.00 0.00 60.65 58.27 2e8m s ILE 28 Cb -0.39 -2.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.84 2e8m s ILE 28 CO 0.52 0.51 0.25 0.20 -1.23 0.00 0.00 174.94 175.18 2e8m s ASN 29 N -1.12 -0.05 0.09 3.58 -0.87 -1.26 -4.99 114.94 110.33 2e8m s ASN 29 Ca 0.15 -0.27 0.05 0.00 -1.57 0.00 0.00 52.86 51.22 2e8m s ASN 29 Cb -0.11 0.32 -0.03 0.00 -0.02 0.00 0.00 41.25 41.40 2e8m s ASN 29 CO 0.05 -0.58 -0.13 0.27 -2.57 0.00 0.00 177.10 174.14 2e8m s ILE 30 N -2.49 1.13 0.37 0.60 -4.36 -1.26 -4.97 121.20 110.22 2e8m s ILE 30 Ca -0.06 -1.51 0.05 0.00 -0.26 0.00 0.00 60.65 58.87 2e8m s ILE 30 Cb -0.01 -1.28 -0.03 0.00 1.25 0.00 0.00 42.46 42.39 2e8m s ILE 30 CO -0.03 -0.37 0.17 0.42 0.24 0.00 0.00 174.94 175.37 2e8m s THR 31 N -1.84 0.40 0.11 8.37 -4.23 -1.26 -4.87 115.64 112.32 2e8m s THR 31 Ca 0.03 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.87 2e8m s THR 31 Cb -0.07 -2.40 0.34 0.00 1.34 0.00 0.00 72.50 71.71 2e8m s THR 31 CO 0.02 0.00 1.99 1.88 -0.54 0.00 0.00 174.62 177.97 2e8m h TYR 32 N 1.93 0.00 -0.79 3.99 0.05 -1.95 -2.31 116.97 117.90 2e8m h TYR 32 Ca -0.32 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.89 2e8m h TYR 32 Cb 1.26 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.60 2e8m h TYR 32 CO 1.50 0.00 -0.49 -0.25 -1.05 0.00 0.00 178.16 177.87 2e8m n ASP 33 N -2.73 5.43 -4.99 3.88 8.00 -1.26 -3.16 116.55 121.72 2e8m n ASP 33 Ca -0.01 -3.76 -0.19 0.00 0.71 0.00 0.00 54.79 51.55 2e8m n ASP 33 Cb 0.15 -0.47 0.01 0.00 -0.02 0.00 0.00 41.12 40.80 2e8m n ASP 33 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2e8m s SER 34 N -3.25 5.63 0.23 -2.24 0.01 -0.87 -4.99 113.70 108.22 2e8m s SER 34 Ca 0.54 -0.23 -0.00 0.00 1.31 0.00 0.00 55.95 57.56 2e8m s SER 34 Cb 0.43 -0.87 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 2e8m s SER 34 CO 0.03 -0.79 0.42 0.42 0.41 0.00 0.00 173.24 173.73 2e8m s THR 35 N -2.44 5.18 -1.18 1.44 -4.23 -1.26 -3.07 115.64 110.09 2e8m s THR 35 Ca 0.53 -0.40 0.14 0.00 -1.18 0.00 0.00 61.69 60.79 2e8m s THR 35 Cb -0.10 -3.76 0.18 0.00 1.34 0.00 0.00 72.50 70.16 2e8m s THR 35 CO 0.34 -0.25 1.44 -0.81 -0.54 0.00 0.00 174.62 174.80 2e8m n PRO 36 N -0.90 0.09 0.00 3.99 -0.04 -1.26 -2.27 135.00 134.61 2e8m n PRO 36 Ca -0.05 0.21 -0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2e8m n PRO 36 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 2e8m n PRO 36 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2e8m n GLU 37 N -1.41 0.64 0.08 0.54 4.07 -1.26 -4.05 120.64 119.24 2e8m n GLU 37 Ca 0.05 0.13 -0.21 0.00 -0.06 0.00 0.00 57.16 57.07 2e8m n GLU 37 Cb 0.15 -1.72 -0.12 0.00 -0.06 0.00 0.00 31.44 29.69 2e8m n GLU 37 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2e8m h ASP 38 N 0.00 0.85 -0.76 4.31 5.19 -1.83 -3.26 116.42 120.91 2e8m h ASP 38 Ca -0.21 -0.75 0.07 0.00 -0.62 0.00 0.00 57.03 55.52 2e8m h ASP 38 Cb 1.62 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 40.82 2e8m h ASP 38 CO 0.04 1.55 0.50 0.58 -3.12 0.00 0.00 179.24 178.79 2e8m h VAL 39 N 0.30 1.02 -0.61 -1.35 2.07 -1.71 -1.63 116.25 114.34 2e8m h VAL 39 Ca -0.16 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.18 2e8m h VAL 39 Cb 1.83 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 2e8m h VAL 39 CO 0.22 0.15 0.22 0.50 0.02 0.00 0.00 177.57 178.68 2e8m h LYS 40 N 0.80 0.38 -0.06 1.57 3.64 -1.71 -0.58 116.57 120.61 2e8m h LYS 40 Ca 0.33 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.50 2e8m h LYS 40 Cb 0.27 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2e8m h LYS 40 CO -0.12 0.25 -0.77 1.15 -2.27 0.00 0.00 179.45 177.70 2e8m h THR 41 N 0.40 1.39 -0.81 1.00 2.02 -1.50 -2.83 112.91 112.57 2e8m h THR 41 Ca 0.31 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 65.28 2e8m h THR 41 Cb 0.38 2.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.93 2e8m h THR 41 CO -0.31 0.66 0.52 -0.25 0.37 0.00 0.00 175.52 176.51 2e8m h TRP 42 N 0.26 1.04 -0.17 3.16 7.01 -0.40 0.21 115.95 127.06 2e8m h TRP 42 Ca -0.04 0.02 -0.20 0.00 2.11 0.00 0.00 58.89 60.78 2e8m h TRP 42 Cb 1.35 -0.35 0.01 0.00 -2.10 0.00 0.00 29.16 28.07 2e8m h TRP 42 CO 0.05 0.67 -0.68 -0.07 -2.79 0.00 0.00 178.44 175.61 2e8m h LEU 43 N 1.11 0.90 -0.27 0.65 3.38 -1.13 -3.07 115.31 116.88 2e8m h LEU 43 Ca 0.30 -0.61 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 2e8m h LEU 43 Cb -0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 2e8m h LEU 43 CO -0.06 1.36 -0.06 1.56 0.09 0.00 0.00 178.44 181.33 2e8m h GLN 44 N 0.49 0.51 -0.44 1.13 1.08 -1.20 -2.28 115.11 114.40 2e8m h GLN 44 Ca -0.04 -0.19 0.09 0.00 -1.45 0.00 0.00 58.65 57.06 2e8m h GLN 44 Cb 1.31 -0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 28.63 2e8m h GLN 44 CO 0.14 0.72 -0.04 1.03 -0.95 0.00 0.00 178.83 179.72 2e8m h SER 45 N 0.26 -0.28 -0.02 1.46 0.87 -0.64 0.23 113.55 115.43 2e8m h SER 45 Ca 0.07 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2e8m h SER 45 Cb 0.52 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2e8m h SER 45 CO 0.02 -0.10 0.03 0.11 -0.53 0.00 0.00 176.83 176.36 2e8m h LYS 46 N 0.06 0.00 -0.11 2.24 1.79 -1.50 -3.46 116.57 115.59 2e8m h LYS 46 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 2e8m h LYS 46 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2e8m h LYS 46 CO -0.41 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.37 2e8m n GLY 47 N -1.31 0.83 3.92 3.86 0.00 0.79 -5.11 105.19 108.18 2e8m n GLY 47 Ca -0.02 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 2e8m n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e8m s PHE 48 N -1.79 3.48 1.04 1.61 0.08 -0.87 -5.04 117.98 116.50 2e8m s PHE 48 Ca 0.00 0.42 -0.11 0.00 0.12 0.00 0.00 56.93 57.35 2e8m s PHE 48 Cb 0.00 -1.91 0.22 0.00 -0.57 0.00 0.00 43.02 40.76 2e8m s PHE 48 CO 0.00 0.37 1.08 0.54 -0.10 0.00 0.00 175.22 177.12 2e8m s ASN 49 N -3.00 1.90 0.10 1.36 2.20 -1.26 -4.71 114.94 111.53 2e8m s ASN 49 Ca 0.39 1.85 -0.15 0.00 -0.94 0.00 0.00 52.86 54.02 2e8m s ASN 49 Cb -0.11 -2.44 -0.08 0.00 -2.00 0.00 0.00 41.25 36.61 2e8m s ASN 49 CO 0.28 -3.68 1.42 1.55 -2.94 0.00 0.00 177.10 173.73 2e8m h PRO 50 N -2.27 0.70 -0.57 3.55 0.13 -1.98 -2.87 132.00 128.70 2e8m h PRO 50 Ca -0.53 -0.37 0.17 0.00 -0.87 0.00 0.00 66.00 64.40 2e8m h PRO 50 Cb 1.30 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 2e8m h PRO 50 CO 0.46 0.98 0.70 0.28 -0.23 0.00 0.00 178.00 180.19 2e8m h VAL 51 N 0.45 0.21 0.08 1.56 2.07 -1.99 0.34 116.25 118.97 2e8m h VAL 51 Ca 0.05 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.21 2e8m h VAL 51 Cb 0.85 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2e8m h VAL 51 CO 0.07 0.00 -2.08 0.41 0.02 0.00 0.00 177.57 175.99 2e8m n THR 52 N -3.46 1.69 0.26 2.57 -1.04 -1.15 -3.12 114.28 110.03 2e8m n THR 52 Ca 0.12 -0.67 0.15 0.00 -2.04 0.00 0.00 64.05 61.61 2e8m n THR 52 Cb 0.90 -1.53 0.63 0.00 -1.82 0.00 0.00 70.33 68.52 2e8m n THR 52 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2e8m h VAL 53 N 0.05 0.17 0.00 12.58 2.07 -0.39 0.25 116.25 130.97 2e8m h VAL 53 Ca -0.44 -0.67 -0.30 0.00 0.82 0.00 0.00 66.70 66.11 2e8m h VAL 53 Cb 2.01 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 33.30 2e8m h VAL 53 CO 0.05 0.06 -1.79 0.59 0.02 0.00 0.00 177.57 176.50 2e8m n ASN 54 N -3.19 0.79 0.05 0.57 3.02 0.85 -2.39 115.26 114.95 2e8m n ASN 54 Ca 0.00 0.37 -0.18 0.00 -0.03 0.00 0.00 54.58 54.74 2e8m n ASN 54 Cb 0.33 0.05 -0.14 0.00 -0.61 0.00 0.00 39.78 39.41 2e8m n ASN 54 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2e8m h SER 55 N 0.00 0.40 -0.45 6.41 0.87 -1.45 -3.35 113.55 115.98 2e8m h SER 55 Ca -0.32 -0.61 -0.12 0.00 -1.23 0.00 0.00 61.79 59.52 2e8m h SER 55 Cb 2.04 -0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 63.80 2e8m h SER 55 CO 0.07 1.52 0.08 0.18 -0.53 0.00 0.00 176.83 178.15 2e8m n LEU 56 N -3.45 4.72 -1.06 2.23 4.77 0.87 -4.42 117.00 120.67 2e8m n LEU 56 Ca -0.20 -3.26 0.10 0.00 -0.03 0.00 0.00 56.01 52.62 2e8m n LEU 56 Cb 1.05 -0.64 0.24 0.00 -2.33 0.00 0.00 43.42 41.75 2e8m n LEU 56 CO 0.49 0.85 0.70 0.61 -1.33 0.00 0.00 177.39 178.72 2e8m n GLY 57 N -0.52 2.37 0.00 -0.72 0.00 -1.01 -4.30 105.19 101.00 2e8m n GLY 57 Ca 0.31 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.71 2e8m n GLY 57 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2e8m n VAL 58 N 1.23 0.00 -3.25 1.61 0.24 -1.26 -4.56 118.33 112.33 2e8m n VAL 58 Ca 0.19 -0.13 -0.39 0.00 -2.04 0.00 0.00 64.34 61.98 2e8m n VAL 58 Cb 0.54 0.51 -0.06 0.00 -1.47 0.00 0.00 33.84 33.37 2e8m n VAL 58 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2e8m s LEU 59 N -3.06 4.50 0.82 1.34 1.43 -1.26 -4.69 118.68 117.76 2e8m s LEU 59 Ca -0.01 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.21 2e8m s LEU 59 Cb 0.02 -2.90 0.09 0.00 0.03 0.00 0.00 46.19 43.42 2e8m s LEU 59 CO 0.13 0.22 1.09 0.54 0.23 0.00 0.00 176.35 178.57 2e8m s ASN 60 N -0.84 4.20 0.35 2.29 2.20 -1.26 -4.22 114.94 117.66 2e8m s ASN 60 Ca 0.29 1.39 0.11 0.00 -0.94 0.00 0.00 52.86 53.72 2e8m s ASN 60 Cb -0.19 -2.11 0.88 0.00 -2.00 0.00 0.00 41.25 37.83 2e8m s ASN 60 CO 0.18 -2.17 1.81 1.23 -2.94 0.00 0.00 177.10 175.22 2e8m h GLY 61 N -1.22 1.39 0.99 0.45 0.00 -1.68 -0.01 103.07 102.99 2e8m h GLY 61 Ca -0.48 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 2e8m h GLY 61 CO 0.57 -0.03 -0.28 0.00 0.00 0.00 0.00 176.54 176.81 2e8m h ALA 62 N 1.62 -0.77 -0.12 3.60 0.00 -1.61 0.50 119.26 122.48 2e8m h ALA 62 Ca 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2e8m h ALA 62 Cb 1.02 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2e8m h ALA 62 CO -0.29 -0.92 0.08 1.96 0.00 0.00 0.00 179.25 180.07 2e8m h GLN 63 N -0.80 0.16 -0.86 0.00 1.08 -1.69 -2.40 115.11 110.60 2e8m h GLN 63 Ca -0.08 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.19 2e8m h GLN 63 Cb 0.60 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.94 2e8m h GLN 63 CO 0.13 0.12 0.56 1.25 -0.95 0.00 0.00 178.83 179.94 2e8m h LEU 64 N 0.15 0.80 -1.88 1.46 6.46 -0.98 0.10 115.31 121.43 2e8m h LEU 64 Ca 0.04 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2e8m h LEU 64 Cb -0.01 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.77 2e8m h LEU 64 CO -0.01 0.49 -0.08 -0.26 -0.62 0.00 0.00 178.44 177.97 2e8m h PHE 65 N 0.90 0.00 0.00 1.25 -1.00 -0.41 -2.28 116.94 115.40 2e8m h PHE 65 Ca 0.38 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.98 2e8m h PHE 65 Cb 0.32 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 2e8m h PHE 65 CO -0.00 0.08 -0.89 1.03 -1.61 0.00 0.00 178.31 176.92 2e8m h SER 66 N 0.00 0.02 -2.79 2.17 0.87 -0.43 -3.44 113.55 109.96 2e8m h SER 66 Ca -0.00 -0.02 -0.55 0.00 -1.23 0.00 0.00 61.79 59.99 2e8m h SER 66 Cb 0.38 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2e8m h SER 66 CO 0.01 0.90 0.95 -0.76 -0.53 0.00 0.00 176.83 177.40 2e8m s LEU 67 N -7.02 4.30 0.00 2.23 1.43 -0.86 -5.01 118.68 113.75 2e8m s LEU 67 Ca 0.00 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 2e8m s LEU 67 Cb 0.11 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.78 2e8m s LEU 67 CO 0.81 -0.81 0.01 0.59 0.23 0.00 0.00 176.35 177.17 2e8m n ASN 68 N 6.22 0.01 0.29 2.29 3.02 -1.26 -4.68 115.26 121.14 2e8m n ASN 68 Ca 0.15 -1.01 0.18 0.00 -0.03 0.00 0.00 54.58 53.88 2e8m n ASN 68 Cb 0.43 -0.00 0.99 0.00 -0.61 0.00 0.00 39.78 40.59 2e8m n ASN 68 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2e8m h LYS 69 N 0.00 0.00 0.00 3.52 3.64 -1.95 -0.24 116.57 121.54 2e8m h LYS 69 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2e8m h LYS 69 Cb 0.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2e8m h LYS 69 CO 0.00 0.00 -0.42 0.22 -2.27 0.00 0.00 179.45 176.98 2e8m h ASP 70 N 0.00 0.00 -0.53 4.20 1.82 -1.96 -3.08 116.42 116.87 2e8m h ASP 70 Ca 0.03 -0.09 0.10 0.00 -0.39 0.00 0.00 57.03 56.67 2e8m h ASP 70 Cb 0.24 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 40.16 2e8m h ASP 70 CO -0.00 0.77 0.06 -0.33 -1.61 0.00 0.00 179.24 178.12 2e8m h GLU 71 N -1.00 0.17 0.00 0.28 5.08 -1.86 0.26 114.58 117.51 2e8m h GLU 71 Ca -0.03 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2e8m h GLU 71 Cb 0.47 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2e8m h GLU 71 CO -0.02 0.11 -0.26 -0.07 -1.00 0.00 0.00 179.01 177.77 2e8m h LEU 72 N 0.18 0.00 -0.15 1.33 3.38 -1.24 -2.02 115.31 116.80 2e8m h LEU 72 Ca 0.27 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 2e8m h LEU 72 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2e8m h LEU 72 CO -0.40 0.26 -0.34 -0.09 0.09 0.00 0.00 178.44 177.96 2e8m h ARG 73 N 0.00 0.00 0.03 1.13 2.43 -0.72 -2.80 114.38 114.45 2e8m h ARG 73 Ca -0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 2e8m h ARG 73 Cb 0.50 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2e8m h ARG 73 CO 0.03 0.34 -1.16 1.79 -1.51 0.00 0.00 179.97 179.46 2e8m h THR 74 N 0.00 1.54 0.04 0.20 1.35 0.06 -3.31 112.91 112.78 2e8m h THR 74 Ca -0.00 -3.24 -0.22 0.00 -0.55 0.00 0.00 66.41 62.39 2e8m h THR 74 Cb 1.21 2.80 -0.01 0.00 -1.73 0.00 0.00 68.15 70.41 2e8m h THR 74 CO 0.04 0.89 -1.01 1.62 -0.25 0.00 0.00 175.52 176.82 2e8m h VAL 75 N 0.01 1.58 -3.17 6.82 3.04 -1.42 -3.47 116.25 119.64 2e8m h VAL 75 Ca -0.08 -3.04 -0.03 0.00 -1.01 0.00 0.00 66.70 62.54 2e8m h VAL 75 Cb 1.85 2.73 -0.12 0.00 -2.01 0.00 0.00 31.29 33.73 2e8m h VAL 75 CO 0.14 0.88 0.08 0.00 -1.01 0.00 0.00 177.57 177.66 2e8m h PRO 77 N 2.17 0.00 -0.83 0.00 0.13 -1.84 -2.72 132.00 128.91 2e8m h PRO 77 Ca -0.34 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.61 2e8m h PRO 77 Cb 1.28 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.31 2e8m h PRO 77 CO 0.42 0.00 0.23 0.39 -0.23 0.00 0.00 178.00 178.81 2e8m n GLU 78 N -3.09 3.03 0.47 0.86 -0.58 -1.26 -4.56 120.64 115.50 2e8m n GLU 78 Ca 0.00 -2.32 -0.18 0.00 -0.42 0.00 0.00 57.16 54.24 2e8m n GLU 78 Cb 0.30 -1.99 -0.09 0.00 -0.57 0.00 0.00 31.44 29.09 2e8m n GLU 78 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2e8m h GLY 79 N 3.12 -1.24 0.46 0.62 0.00 -1.50 -0.60 103.07 103.93 2e8m h GLY 79 Ca 0.22 0.46 0.22 0.00 0.00 0.00 0.00 47.33 48.23 2e8m h GLY 79 CO 0.58 -0.45 0.56 0.00 0.00 0.00 0.00 176.54 177.23 2e8m h ALA 80 N -1.42 2.71 -0.01 3.60 0.00 -1.80 0.32 119.26 122.65 2e8m h ALA 80 Ca -0.12 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 2e8m h ALA 80 Cb 0.91 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2e8m h ALA 80 CO 0.20 -0.95 -0.87 0.00 0.00 0.00 0.00 179.25 177.63 2e8m h ARG 81 N 0.00 0.32 0.02 0.00 2.47 -1.80 -2.97 114.38 112.42 2e8m h ARG 81 Ca 0.36 -0.32 -0.07 0.00 -1.26 0.00 0.00 59.98 58.69 2e8m h ARG 81 Cb 1.47 0.09 0.01 0.00 -1.65 0.00 0.00 29.97 29.89 2e8m h ARG 81 CO -0.00 1.01 -0.27 0.28 0.56 0.00 0.00 179.97 181.55 2e8m h VAL 82 N 0.19 1.61 -0.70 2.04 2.07 0.11 -3.29 116.25 118.28 2e8m h VAL 82 Ca -0.05 -2.13 0.11 0.00 0.82 0.00 0.00 66.70 65.44 2e8m h VAL 82 Cb 1.49 3.00 -0.08 0.00 -1.52 0.00 0.00 31.29 34.18 2e8m h VAL 82 CO 0.14 0.58 0.30 0.22 0.02 0.00 0.00 177.57 178.83 2e8m h TYR 83 N -0.62 0.52 -0.04 1.57 3.20 -0.88 0.27 116.97 120.99 2e8m h TYR 83 Ca -0.04 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2e8m h TYR 83 Cb 1.10 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 2e8m h TYR 83 CO 0.21 0.13 0.09 1.03 -1.64 0.00 0.00 178.16 177.98 2e8m h SER 84 N 0.49 0.00 0.78 -2.11 0.87 -1.62 0.31 113.55 112.26 2e8m h SER 84 Ca 0.36 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.84 2e8m h SER 84 Cb 0.46 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2e8m h SER 84 CO -0.33 0.00 -1.28 0.00 -0.53 0.00 0.00 176.83 174.69 2e8m n GLN 85 N -3.45 0.62 0.01 2.24 1.13 0.83 -4.13 117.38 114.63 2e8m n GLN 85 Ca -0.02 0.14 -0.12 0.00 -1.94 0.00 0.00 57.00 55.07 2e8m n GLN 85 Cb 0.17 -1.79 -0.14 0.00 0.11 0.00 0.00 30.24 28.59 2e8m n GLN 85 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2e8m h ILE 86 N 0.00 0.96 -0.87 5.09 2.04 0.31 -3.35 117.51 121.70 2e8m h ILE 86 Ca -0.08 -2.75 0.15 0.00 1.00 0.00 0.00 64.86 63.17 2e8m h ILE 86 Cb 1.28 2.54 -0.07 0.00 -0.74 0.00 0.00 36.82 39.83 2e8m h ILE 86 CO 0.02 0.66 0.56 0.00 0.00 0.00 0.00 178.15 179.39 2e8m h THR 87 N 0.02 0.82 0.00 -0.27 1.03 -0.67 0.28 112.91 114.13 2e8m h THR 87 Ca -0.27 -0.22 -0.05 0.00 -0.01 0.00 0.00 66.41 65.87 2e8m h THR 87 Cb 1.99 0.14 -0.01 0.00 -1.07 0.00 0.00 68.15 69.20 2e8m h THR 87 CO 0.10 0.11 -0.23 1.62 -0.01 0.00 0.00 175.52 177.11 2e8m h VAL 88 N 0.63 0.69 0.05 0.00 3.04 -1.74 -2.00 116.25 116.91 2e8m h VAL 88 Ca 0.43 -1.02 -0.12 0.00 -1.01 0.00 0.00 66.70 64.98 2e8m h VAL 88 Cb 0.76 1.65 -0.00 0.00 -2.01 0.00 0.00 31.29 31.69 2e8m h VAL 88 CO -0.19 0.23 -0.59 1.56 -1.01 0.00 0.00 177.57 177.57 2e8m h GLN 89 N 0.00 0.10 -1.00 4.17 1.08 -0.68 -3.17 115.11 115.61 2e8m h GLN 89 Ca -0.00 -0.17 0.01 0.00 -1.45 0.00 0.00 58.65 57.03 2e8m h GLN 89 Cb 0.63 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 28.08 2e8m h GLN 89 CO 0.03 1.08 0.66 0.87 -0.95 0.00 0.00 178.83 180.52 2e8m h LYS 90 N -0.76 1.32 0.00 1.46 1.57 -1.10 -1.23 116.57 117.83 2e8m h LYS 90 Ca -0.13 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 2e8m h LYS 90 Cb 1.30 -0.30 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2e8m h LYS 90 CO 0.01 0.88 -0.17 0.00 -0.57 0.00 0.00 179.45 179.60 2e8m h ALA 91 N 1.36 1.21 -0.13 3.86 0.00 -1.50 -0.07 119.26 123.99 2e8m h ALA 91 Ca 0.37 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 2e8m h ALA 91 Cb -0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2e8m h ALA 91 CO -0.08 0.22 -0.65 0.00 0.00 0.00 0.00 179.25 178.74 2e8m h ALA 92 N 1.83 0.63 0.00 0.00 0.00 -1.19 -3.35 119.26 117.17 2e8m h ALA 92 Ca -0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 2e8m h ALA 92 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2e8m h ALA 92 CO 0.02 0.72 -0.38 -0.07 0.00 0.00 0.00 179.25 179.54 2e8m h LEU 93 N 0.37 0.00 -9.42 0.00 3.38 -1.20 -3.46 115.31 104.98 2e8m h LEU 93 Ca -0.01 -0.29 -0.54 0.00 0.09 0.00 0.00 57.88 57.13 2e8m h LEU 93 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2e8m h LEU 93 CO 0.12 0.85 0.56 -0.44 0.09 0.00 0.00 178.44 179.62 2e8m s SER 94 N -5.97 7.14 0.00 -0.43 0.01 -0.07 -4.63 113.70 109.74 2e8m s SER 94 Ca -0.13 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.01 2e8m s SER 94 Cb 0.01 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2e8m s SER 94 CO 0.31 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2e8m n GLY 95 N 3.19 -2.05 3.60 3.44 0.00 -1.26 -4.60 105.19 107.51 2e8m n GLY 95 Ca 0.09 0.68 -0.43 0.00 0.00 0.00 0.00 46.02 46.36 2e8m n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e8m s PRO 96 N 0.00 3.43 0.01 1.61 0.04 -1.26 -4.92 135.00 133.90 2e8m s PRO 96 Ca 0.00 1.33 -0.15 0.00 0.04 0.00 0.00 61.00 62.22 2e8m s PRO 96 Cb 0.00 -4.14 -0.08 0.00 0.04 0.00 0.00 34.50 30.31 2e8m s PRO 96 CO 0.00 -1.74 0.91 0.66 0.04 0.00 0.00 177.00 176.87 2e8m h SER 97 N 12.18 -0.47 -2.98 6.66 4.64 -1.99 -3.42 113.55 128.18 2e8m h SER 97 Ca -0.32 0.02 -0.55 0.00 -0.47 0.00 0.00 61.79 60.47 2e8m h SER 97 Cb 1.15 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 2e8m h SER 97 CO 1.04 -0.24 0.78 -0.94 -0.87 0.00 0.00 176.83 176.60 2e8m s SER 98 N -3.61 6.94 0.00 4.97 1.04 -1.26 -5.27 113.70 116.51 2e8m s SER 98 Ca -0.08 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.32 2e8m s SER 98 Cb 0.01 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2e8m s SER 98 CO 0.24 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.41