#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 2.68 -0.16 1.61 1.04 -1.26 -5.04 113.70 112.58 2e8m s SER 2 Ca 0.00 -0.48 -0.14 0.00 0.48 0.00 0.00 55.95 55.81 2e8m s SER 2 Cb 0.00 -1.23 -0.10 0.00 0.10 0.00 0.00 66.02 64.79 2e8m s SER 2 CO 0.00 0.09 0.08 -1.28 0.98 0.00 0.00 173.24 173.11 2e8m h SER 3 N 7.00 0.00 -4.63 7.02 0.87 -2.15 -3.51 113.55 118.14 2e8m h SER 3 Ca -0.26 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 2e8m h SER 3 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2e8m h SER 3 CO 0.49 0.97 0.00 0.61 -0.53 0.00 0.00 176.83 178.37 2e8m n GLY 4 N 1.58 0.33 3.39 5.77 0.00 -1.26 -5.04 105.19 109.97 2e8m n GLY 4 Ca -0.14 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 2e8m n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e8m s SER 5 N -1.60 3.36 -0.23 1.61 0.01 -1.26 -5.14 113.70 110.45 2e8m s SER 5 Ca 0.00 -0.63 -0.21 0.00 1.31 0.00 0.00 55.95 56.43 2e8m s SER 5 Cb 0.00 -0.32 0.06 0.00 0.21 0.00 0.00 66.02 65.96 2e8m s SER 5 CO 0.00 0.22 0.60 -0.44 0.41 0.00 0.00 173.24 174.04 2e8m s SER 6 N -1.63 -0.63 0.00 2.44 0.01 -1.26 -5.02 113.70 107.61 2e8m s SER 6 Ca 0.13 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2e8m s SER 6 Cb -0.10 1.23 0.00 0.00 0.21 0.00 0.00 66.02 67.36 2e8m s SER 6 CO 0.05 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2e8m n GLY 7 N 2.79 2.18 5.00 3.44 0.00 -1.26 -4.91 105.19 112.43 2e8m n GLY 7 Ca -0.14 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2e8m n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2e8m n THR 8 N 0.00 0.00 -2.65 2.61 -1.04 -1.26 -4.64 114.28 107.30 2e8m n THR 8 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 2e8m n THR 8 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2e8m n THR 8 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2e8m n ILE 9 N 0.00 4.10 -3.35 12.58 2.08 -1.26 -4.99 119.36 128.52 2e8m n ILE 9 Ca 0.00 -4.35 -0.32 0.00 0.56 0.00 0.00 62.75 58.64 2e8m n ILE 9 Cb 0.00 -2.43 -0.06 0.00 -0.75 0.00 0.00 39.64 36.41 2e8m n ILE 9 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2e8m s GLY 10 N 3.04 2.30 -0.37 7.39 0.00 -1.26 -5.03 107.32 113.39 2e8m s GLY 10 Ca 0.46 -0.20 -0.29 0.00 0.00 0.00 0.00 44.72 44.70 2e8m s GLY 10 CO 0.02 -0.04 1.14 0.50 0.00 0.00 0.00 173.10 174.73 2e8m s ARG 11 N -2.80 3.91 -0.26 2.90 3.00 -1.26 -4.97 118.95 119.46 2e8m s ARG 11 Ca 0.48 0.93 -0.01 0.00 0.00 0.00 0.00 55.73 57.13 2e8m s ARG 11 Cb -0.11 -3.83 0.13 0.00 0.00 0.00 0.00 34.95 31.15 2e8m s ARG 11 CO 0.20 -1.12 0.33 0.45 0.00 0.00 0.00 175.30 175.17 2e8m s SER 12 N 2.18 0.97 0.15 0.23 0.15 -1.26 -5.13 113.70 110.99 2e8m s SER 12 Ca 0.49 -0.34 -0.31 0.00 0.70 0.00 0.00 55.95 56.49 2e8m s SER 12 Cb -0.11 0.78 -0.08 0.00 -1.71 0.00 0.00 66.02 64.90 2e8m s SER 12 CO 0.23 -0.35 1.35 0.00 1.20 0.00 0.00 173.24 175.66 2e8m s ALA 13 N 2.45 3.55 0.28 5.45 0.00 -1.26 -5.00 121.76 127.23 2e8m s ALA 13 Ca 0.10 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 52.96 2e8m s ALA 13 Cb -0.14 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.49 2e8m s ALA 13 CO -0.25 -0.57 0.72 0.00 0.00 0.00 0.00 175.76 175.65 2e8m s ALA 14 N 0.63 -1.16 0.83 0.00 0.00 -1.26 -5.16 121.76 115.64 2e8m s ALA 14 Ca 0.61 -0.35 -0.12 0.00 0.00 0.00 0.00 51.96 52.09 2e8m s ALA 14 Cb -0.36 0.85 0.10 0.00 0.00 0.00 0.00 23.12 23.70 2e8m s ALA 14 CO 0.34 -1.03 1.17 -0.65 0.00 0.00 0.00 175.76 175.59 2e8m s GLN 15 N -3.83 1.56 -0.95 0.00 1.11 -1.26 -4.91 119.66 111.39 2e8m s GLN 15 Ca 0.12 1.63 -0.22 0.00 0.01 0.00 0.00 55.36 56.89 2e8m s GLN 15 Cb -0.06 -1.78 0.08 0.00 -1.01 0.00 0.00 33.01 30.24 2e8m s GLN 15 CO 0.07 -2.24 1.29 0.15 0.01 0.00 0.00 175.29 174.58 2e8m s LYS 16 N -4.35 3.53 0.35 2.91 -0.14 -1.26 -4.93 119.74 115.86 2e8m s LYS 16 Ca 0.70 -1.26 -0.09 0.00 -1.36 0.00 0.00 55.97 53.95 2e8m s LYS 16 Cb -0.25 -5.05 0.02 0.00 -1.68 0.00 0.00 37.83 30.87 2e8m s LYS 16 CO 0.53 -2.03 0.61 0.21 -0.76 0.00 0.00 175.35 173.90 2e8m s LYS 17 N 4.18 2.00 0.13 1.68 2.20 -1.26 -5.15 119.74 123.52 2e8m s LYS 17 Ca 0.39 -1.56 -0.30 0.00 -0.36 0.00 0.00 55.97 54.15 2e8m s LYS 17 Cb -0.03 0.52 -0.06 0.00 -1.51 0.00 0.00 37.83 36.75 2e8m s LYS 17 CO -0.07 -0.88 1.03 -0.59 -0.36 0.00 0.00 175.35 174.48 2e8m s PHE 18 N -2.90 3.71 -0.08 4.03 -0.71 -1.26 -5.00 117.98 115.76 2e8m s PHE 18 Ca 0.23 1.69 -0.32 0.00 -1.04 0.00 0.00 56.93 57.50 2e8m s PHE 18 Cb -0.02 -3.16 0.13 0.00 -1.21 0.00 0.00 43.02 38.76 2e8m s PHE 18 CO 0.15 -0.19 1.40 -1.01 -1.34 0.00 0.00 175.22 174.23 2e8m s HIS 19 N -0.02 -0.01 0.16 3.49 3.76 -1.26 -5.18 115.29 116.23 2e8m s HIS 19 Ca 0.49 -0.02 0.07 0.00 -0.15 0.00 0.00 55.06 55.45 2e8m s HIS 19 Cb -0.26 0.51 -0.04 0.00 1.11 0.00 0.00 32.58 33.90 2e8m s HIS 19 CO 0.32 -0.07 -0.16 0.14 -0.85 0.00 0.00 174.74 174.12 2e8m s VAL 20 N -2.07 1.64 -0.45 -0.90 -7.23 -1.26 -5.09 120.40 105.04 2e8m s VAL 20 Ca 0.19 -1.90 -0.28 0.00 -1.81 0.00 0.00 61.98 58.18 2e8m s VAL 20 Cb 0.05 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 2e8m s VAL 20 CO -0.05 -0.40 1.76 -2.16 -0.31 0.00 0.00 175.10 173.94 2e8m s PRO 21 N -2.90 3.11 0.11 4.82 0.04 -1.26 -4.26 135.00 134.65 2e8m s PRO 21 Ca 0.15 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2e8m s PRO 21 Cb -0.05 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2e8m s PRO 21 CO 0.05 -2.14 0.00 0.54 0.04 0.00 0.00 177.00 175.50 2e8m n ARG 22 N 8.66 0.00 -4.76 4.56 1.74 -1.26 -5.14 116.66 120.46 2e8m n ARG 22 Ca 0.21 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.98 2e8m n ARG 22 Cb 0.49 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.80 2e8m n ARG 22 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2e8m s GLN 23 N -2.00 2.05 -0.21 5.56 -1.52 -1.26 -5.02 119.66 117.26 2e8m s GLN 23 Ca 0.00 -0.98 0.17 0.00 -1.95 0.00 0.00 55.36 52.60 2e8m s GLN 23 Cb 0.00 -2.15 0.39 0.00 -0.22 0.00 0.00 33.01 31.03 2e8m s GLN 23 CO 0.00 0.54 1.24 0.09 -0.25 0.00 0.00 175.29 176.92 2e8m n ASN 24 N 1.70 0.15 -4.24 5.90 4.13 -1.26 -4.99 115.26 116.65 2e8m n ASN 24 Ca -0.16 -2.08 -0.20 0.00 1.68 0.00 0.00 54.58 53.82 2e8m n ASN 24 Cb 0.52 0.03 -0.12 0.00 -1.54 0.00 0.00 39.78 38.67 2e8m n ASN 24 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2e8m s VAL 25 N -1.39 1.40 0.87 2.41 -7.23 -1.26 -5.15 120.40 110.05 2e8m s VAL 25 Ca 0.19 -1.55 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 2e8m s VAL 25 Cb 0.33 -1.41 0.11 0.00 0.56 0.00 0.00 36.38 35.97 2e8m s VAL 25 CO -0.08 -0.25 1.09 -2.16 -0.31 0.00 0.00 175.10 173.39 2e8m s PRO 26 N -2.17 1.48 0.01 4.82 0.04 -1.26 -4.99 135.00 132.94 2e8m s PRO 26 Ca 0.05 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.69 2e8m s PRO 26 Cb -0.08 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2e8m s PRO 26 CO 0.03 -2.11 1.09 0.08 0.04 0.00 0.00 177.00 176.14 2e8m s VAL 27 N -2.93 4.46 0.15 -0.36 1.01 -1.26 -5.03 120.40 116.44 2e8m s VAL 27 Ca 0.63 1.77 -0.16 0.00 0.00 0.00 0.00 61.98 64.22 2e8m s VAL 27 Cb -0.18 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 2e8m s VAL 27 CO 0.57 0.11 0.58 -0.63 0.00 0.00 0.00 175.10 175.73 2e8m s ILE 28 N 1.24 4.80 0.07 2.22 -1.09 -1.26 -5.09 121.20 122.08 2e8m s ILE 28 Ca 0.55 0.95 -0.12 0.00 -2.23 0.00 0.00 60.65 59.79 2e8m s ILE 28 Cb -0.25 -3.77 0.02 0.00 -1.58 0.00 0.00 42.46 36.88 2e8m s ILE 28 CO 0.27 0.28 0.28 0.20 -1.23 0.00 0.00 174.94 174.74 2e8m s ASN 29 N -1.63 -0.07 0.10 3.58 0.01 -1.26 -4.98 114.94 110.69 2e8m s ASN 29 Ca 0.37 -0.34 0.05 0.00 -0.71 0.00 0.00 52.86 52.24 2e8m s ASN 29 Cb -0.16 0.36 -0.03 0.00 0.41 0.00 0.00 41.25 41.83 2e8m s ASN 29 CO 0.19 -0.67 -0.13 0.27 -1.51 0.00 0.00 177.10 175.26 2e8m s ILE 30 N -3.05 1.11 0.37 0.60 -4.36 -1.26 -4.97 121.20 109.64 2e8m s ILE 30 Ca -0.01 -1.56 0.04 0.00 -0.26 0.00 0.00 60.65 58.86 2e8m s ILE 30 Cb 0.01 -1.32 -0.03 0.00 1.25 0.00 0.00 42.46 42.37 2e8m s ILE 30 CO -0.07 -0.41 0.17 0.42 0.24 0.00 0.00 174.94 175.29 2e8m s THR 31 N -1.98 0.42 0.43 8.37 -4.23 -1.26 -4.88 115.64 112.52 2e8m s THR 31 Ca 0.04 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 58.95 2e8m s THR 31 Cb -0.06 -2.42 0.43 0.00 1.34 0.00 0.00 72.50 71.79 2e8m s THR 31 CO 0.02 0.00 2.22 1.88 -0.54 0.00 0.00 174.62 178.19 2e8m h TYR 32 N 1.95 0.00 -0.65 3.99 0.05 -1.95 -2.17 116.97 118.20 2e8m h TYR 32 Ca -0.33 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.01 2e8m h TYR 32 Cb 1.26 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.71 2e8m h TYR 32 CO 1.44 0.00 -0.23 -3.47 -1.05 0.00 0.00 178.16 174.85 2e8m n ASP 33 N -3.08 4.60 -4.97 3.88 -0.08 -1.26 -3.00 116.55 112.63 2e8m n ASP 33 Ca -0.02 -3.78 -0.21 0.00 -1.51 0.00 0.00 54.79 49.27 2e8m n ASP 33 Cb 0.17 -0.57 0.03 0.00 2.34 0.00 0.00 41.12 43.08 2e8m n ASP 33 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2e8m s SER 34 N -2.90 5.42 0.22 1.67 0.01 -0.81 -4.99 113.70 112.33 2e8m s SER 34 Ca 0.51 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2e8m s SER 34 Cb 0.43 -1.00 -0.04 0.00 0.21 0.00 0.00 66.02 65.62 2e8m s SER 34 CO 0.01 -1.02 0.41 0.42 0.41 0.00 0.00 173.24 173.47 2e8m s THR 35 N -2.69 5.20 -1.19 1.44 -4.23 -1.26 -3.05 115.64 109.86 2e8m s THR 35 Ca 0.55 -0.46 0.14 0.00 -1.18 0.00 0.00 61.69 60.75 2e8m s THR 35 Cb -0.10 -3.77 0.18 0.00 1.34 0.00 0.00 72.50 70.15 2e8m s THR 35 CO 0.38 -0.24 1.43 -0.81 -0.54 0.00 0.00 174.62 174.84 2e8m n PRO 36 N -0.90 0.09 0.01 3.99 -0.04 -1.26 -2.26 135.00 134.63 2e8m n PRO 36 Ca -0.05 0.21 -0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2e8m n PRO 36 Cb 0.54 -1.50 -0.10 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 0.09 0.54 2.13 -1.26 -4.07 120.64 117.30 2e8m n GLU 37 Ca 0.05 0.13 -0.18 0.00 0.66 0.00 0.00 57.16 57.82 2e8m n GLU 37 Cb 0.14 -1.73 -0.11 0.00 0.27 0.00 0.00 31.44 30.02 2e8m n GLU 37 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2e8m h ASP 38 N 0.00 0.65 -0.53 4.31 5.19 -1.83 -3.26 116.42 120.95 2e8m h ASP 38 Ca -0.20 -0.61 0.05 0.00 -0.62 0.00 0.00 57.03 55.64 2e8m h ASP 38 Cb 1.61 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 40.88 2e8m h ASP 38 CO 0.04 1.44 0.35 0.58 -3.12 0.00 0.00 179.24 178.53 2e8m h VAL 39 N 0.20 1.02 -0.46 -1.35 2.07 -1.71 -1.42 116.25 114.59 2e8m h VAL 39 Ca -0.15 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.24 2e8m h VAL 39 Cb 1.86 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 2e8m h VAL 39 CO 0.21 0.10 0.20 0.50 0.02 0.00 0.00 177.57 178.60 2e8m h LYS 40 N 0.54 0.39 -0.08 1.57 3.64 -1.71 -1.44 116.57 119.48 2e8m h LYS 40 Ca 0.22 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.39 2e8m h LYS 40 Cb 0.20 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2e8m h LYS 40 CO -0.06 0.26 -0.74 1.15 -2.27 0.00 0.00 179.45 177.79 2e8m h THR 41 N 0.40 1.38 -0.30 1.00 2.02 -1.52 -2.81 112.91 113.08 2e8m h THR 41 Ca 0.21 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.24 2e8m h THR 41 Cb 0.16 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 2e8m h THR 41 CO -0.18 0.65 0.20 -0.25 0.37 0.00 0.00 175.52 176.30 2e8m h TRP 42 N 0.28 0.37 0.11 3.16 7.01 -0.74 0.21 115.95 126.35 2e8m h TRP 42 Ca -0.03 0.01 -0.23 0.00 2.11 0.00 0.00 58.89 60.75 2e8m h TRP 42 Cb 1.32 -0.12 0.02 0.00 -2.10 0.00 0.00 29.16 28.28 2e8m h TRP 42 CO 0.05 0.23 -0.96 -0.07 -2.79 0.00 0.00 178.44 174.90 2e8m h LEU 43 N 0.40 0.66 -0.28 0.65 3.38 -1.22 -3.10 115.31 115.80 2e8m h LEU 43 Ca 0.11 -0.86 -0.04 0.00 0.09 0.00 0.00 57.88 57.18 2e8m h LEU 43 Cb -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2e8m h LEU 43 CO -0.02 1.45 0.00 1.56 0.09 0.00 0.00 178.44 181.52 2e8m h GLN 44 N -0.05 0.49 -0.25 1.13 1.08 -1.19 -1.63 115.11 114.69 2e8m h GLN 44 Ca -0.15 -0.15 0.05 0.00 -1.45 0.00 0.00 58.65 56.95 2e8m h GLN 44 Cb 1.70 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 29.03 2e8m h GLN 44 CO 0.18 0.64 -0.08 1.03 -0.95 0.00 0.00 178.83 179.66 2e8m h SER 45 N 0.27 -0.28 -0.04 1.46 0.87 -0.72 0.17 113.55 115.29 2e8m h SER 45 Ca 0.08 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2e8m h SER 45 Cb 0.42 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2e8m h SER 45 CO 0.01 -0.10 0.05 0.11 -0.53 0.00 0.00 176.83 176.37 2e8m h LYS 46 N -0.02 0.00 -0.14 2.24 1.79 -1.50 -3.46 116.57 115.48 2e8m h LYS 46 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2e8m h LYS 46 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2e8m h LYS 46 CO -0.27 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.51 2e8m n GLY 47 N -1.34 0.51 3.75 3.86 0.00 0.05 -5.11 105.19 106.90 2e8m n GLY 47 Ca -0.02 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.17 3.19 0.79 1.61 0.08 -0.64 -5.03 117.98 116.81 2e8m s PHE 48 Ca 0.00 0.13 -0.15 0.00 0.12 0.00 0.00 56.93 57.03 2e8m s PHE 48 Cb 0.00 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.77 2e8m s PHE 48 CO 0.00 0.52 0.63 0.27 -0.10 0.00 0.00 175.22 176.54 2e8m n ASN 49 N 1.00 -0.95 0.18 1.36 6.94 -1.26 -4.64 115.26 117.89 2e8m n ASN 49 Ca -0.12 0.53 0.03 0.00 -0.02 0.00 0.00 54.58 55.00 2e8m n ASN 49 Cb 0.52 -1.27 0.34 0.00 -2.36 0.00 0.00 39.78 37.01 2e8m n ASN 49 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2e8m h PRO 50 N -0.73 0.00 0.00 -0.53 0.13 -1.98 -2.84 132.00 126.05 2e8m h PRO 50 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2e8m h PRO 50 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2e8m h PRO 50 CO 0.41 0.41 -0.01 0.28 -0.23 0.00 0.00 178.00 178.87 2e8m h VAL 51 N 0.00 0.35 0.05 1.56 2.07 -2.00 -1.11 116.25 117.17 2e8m h VAL 51 Ca -0.00 -0.05 -0.33 0.00 0.82 0.00 0.00 66.70 67.14 2e8m h VAL 51 Cb 0.81 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2e8m h VAL 51 CO 0.05 0.01 -1.83 0.41 0.02 0.00 0.00 177.57 176.23 2e8m n THR 52 N -3.57 1.63 0.32 2.57 -1.04 -1.08 -3.65 114.28 109.44 2e8m n THR 52 Ca -0.03 -0.37 0.20 0.00 -2.04 0.00 0.00 64.05 61.81 2e8m n THR 52 Cb 0.09 -1.84 1.06 0.00 -1.82 0.00 0.00 70.33 67.82 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 -0.49 0.13 0.19 12.58 2.07 -1.36 0.26 116.25 129.63 2e8m h VAL 53 Ca -0.45 -0.13 -0.27 0.00 0.82 0.00 0.00 66.70 66.68 2e8m h VAL 53 Cb 1.69 1.11 0.02 0.00 -1.52 0.00 0.00 31.29 32.59 2e8m h VAL 53 CO -0.11 0.01 -1.20 0.78 0.02 0.00 0.00 177.57 177.07 2e8m h ASN 54 N 0.00 0.61 0.97 0.57 2.35 -1.36 -0.93 115.58 117.79 2e8m h ASN 54 Ca -0.00 -0.93 -0.18 0.00 -0.55 0.00 0.00 56.30 54.64 2e8m h ASN 54 Cb 0.11 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2e8m h ASN 54 CO 0.00 1.57 -0.87 -1.28 -1.65 0.00 0.00 177.43 175.20 2e8m h SER 55 N -0.14 0.00 -0.38 5.81 0.87 -1.49 -3.24 113.55 114.99 2e8m h SER 55 Ca -0.22 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.26 2e8m h SER 55 Cb 1.89 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.80 2e8m h SER 55 CO 0.19 0.87 0.04 0.18 -0.53 0.00 0.00 176.83 177.58 2e8m n LEU 56 N -3.42 4.41 -1.05 2.23 4.77 0.87 -4.44 117.00 120.36 2e8m n LEU 56 Ca -0.00 -3.22 0.10 0.00 -0.03 0.00 0.00 56.01 52.86 2e8m n LEU 56 Cb 0.85 -0.61 0.21 0.00 -2.33 0.00 0.00 43.42 41.55 2e8m n LEU 56 CO 0.45 0.82 0.68 0.61 -1.33 0.00 0.00 177.39 178.63 2e8m n GLY 57 N -0.56 1.88 0.00 -0.72 0.00 -0.35 -4.29 105.19 101.14 2e8m n GLY 57 Ca 0.28 -0.66 0.02 0.00 0.00 0.00 0.00 46.02 45.66 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 1.29 0.00 -3.20 1.61 0.24 -1.26 -4.56 118.33 112.46 2e8m n VAL 58 Ca 0.18 -0.10 -0.39 0.00 -2.04 0.00 0.00 64.34 61.99 2e8m n VAL 58 Cb 0.55 0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 33.33 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 -3.15 4.48 0.85 1.34 1.43 -1.26 -4.69 118.68 117.67 2e8m s LEU 59 Ca -0.01 1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 54.23 2e8m s LEU 59 Cb 0.02 -2.96 0.10 0.00 0.03 0.00 0.00 46.19 43.38 2e8m s LEU 59 CO 0.14 0.17 1.10 0.54 0.23 0.00 0.00 176.35 178.53 2e8m s ASN 60 N -0.63 4.03 0.34 2.29 2.20 -1.26 -4.23 114.94 117.69 2e8m s ASN 60 Ca 0.31 1.30 0.10 0.00 -0.94 0.00 0.00 52.86 53.63 2e8m s ASN 60 Cb -0.19 -2.00 0.84 0.00 -2.00 0.00 0.00 41.25 37.90 2e8m s ASN 60 CO 0.19 -2.26 1.81 1.23 -2.94 0.00 0.00 177.10 175.12 2e8m h GLY 61 N -1.29 1.47 0.99 0.45 0.00 -1.68 -0.19 103.07 102.82 2e8m h GLY 61 Ca -0.48 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.51 2e8m h GLY 61 CO 0.58 -0.03 -0.29 0.00 0.00 0.00 0.00 176.54 176.80 2e8m h ALA 62 N 1.62 -0.81 -0.12 3.60 0.00 -1.61 0.99 119.26 122.93 2e8m h ALA 62 Ca 0.54 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2e8m h ALA 62 Cb 0.97 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2e8m h ALA 62 CO -0.30 -0.96 0.07 1.96 0.00 0.00 0.00 179.25 180.02 2e8m h GLN 63 N -0.81 0.14 -0.84 0.00 1.08 -1.70 -2.34 115.11 110.64 2e8m h GLN 63 Ca -0.08 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.18 2e8m h GLN 63 Cb 0.63 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.97 2e8m h GLN 63 CO 0.12 0.09 0.55 1.25 -0.95 0.00 0.00 178.83 179.89 2e8m h LEU 64 N 0.15 0.80 -1.88 1.46 6.46 -0.99 0.72 115.31 122.02 2e8m h LEU 64 Ca 0.05 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 39.76 2e8m h LEU 64 CO -0.02 0.51 -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 -0.28 -2.31 116.94 115.51 2e8m h PHE 65 Ca 0.37 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.96 2e8m h PHE 65 Cb 0.26 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 2e8m h PHE 65 CO -0.00 0.08 -0.86 1.03 -1.61 0.00 0.00 178.31 176.95 2e8m h SER 66 N 0.00 0.09 -3.34 2.17 0.87 -0.44 -3.44 113.55 109.45 2e8m h SER 66 Ca -0.00 -0.07 -0.53 0.00 -1.23 0.00 0.00 61.79 59.96 2e8m h SER 66 Cb 0.38 -0.03 0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2e8m h SER 66 CO 0.01 0.90 0.59 -0.76 -0.53 0.00 0.00 176.83 177.04 2e8m s LEU 67 N -7.20 4.42 0.00 2.23 1.43 -0.87 -5.02 118.68 113.66 2e8m s LEU 67 Ca -0.01 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 2e8m s LEU 67 Cb 0.11 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2e8m s LEU 67 CO 0.81 -0.46 0.00 -0.46 0.23 0.00 0.00 176.35 176.47 2e8m n ASN 68 N 3.04 0.66 -0.15 2.29 0.23 -1.26 -4.74 115.26 115.33 2e8m n ASN 68 Ca 0.07 -0.99 0.25 0.00 -0.53 0.00 0.00 54.58 53.37 2e8m n ASN 68 Cb 0.44 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 38.82 2e8m n ASN 68 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2e8m h LYS 69 N 0.00 0.08 0.00 -3.83 3.64 -1.94 0.24 116.57 114.76 2e8m h LYS 69 Ca 0.00 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2e8m h LYS 69 Cb 0.00 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2e8m h LYS 69 CO 0.00 0.05 -0.01 0.22 -2.27 0.00 0.00 179.45 177.45 2e8m h ASP 70 N 0.08 0.00 -0.58 4.20 1.82 -1.94 -2.61 116.42 117.39 2e8m h ASP 70 Ca 0.40 -0.05 0.11 0.00 -0.39 0.00 0.00 57.03 57.10 2e8m h ASP 70 Cb 1.44 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 41.37 2e8m h ASP 70 CO -0.04 0.53 0.08 -0.33 -1.61 0.00 0.00 179.24 177.87 2e8m h GLU 71 N -1.00 0.20 -0.24 0.28 4.39 -1.81 0.17 114.58 116.57 2e8m h GLU 71 Ca -0.00 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 2e8m h GLU 71 Cb 0.06 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2e8m h GLU 71 CO -0.00 0.13 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.77 2e8m h LEU 72 N 0.20 0.39 -0.88 1.33 3.38 -0.69 -1.88 115.31 117.17 2e8m h LEU 72 Ca 0.30 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 2e8m h LEU 72 Cb 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2e8m h LEU 72 CO -0.42 0.56 -0.36 -0.09 0.09 0.00 0.00 178.44 178.22 2e8m h ARG 73 N 0.37 0.00 0.22 1.13 2.43 -0.52 -1.64 114.38 116.38 2e8m h ARG 73 Ca 0.07 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.91 2e8m h ARG 73 Cb 0.48 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.06 2e8m h ARG 73 CO 0.03 0.36 -1.41 1.79 -1.51 0.00 0.00 179.97 179.22 2e8m h THR 74 N 0.00 1.30 -0.06 0.20 1.35 -0.16 -3.32 112.91 112.21 2e8m h THR 74 Ca -0.00 -2.68 -0.19 0.00 -0.55 0.00 0.00 66.41 62.99 2e8m h THR 74 Cb 0.92 2.96 -0.00 0.00 -1.73 0.00 0.00 68.15 70.29 2e8m h THR 74 CO 0.05 0.80 -0.78 1.62 -0.25 0.00 0.00 175.52 176.96 2e8m h VAL 75 N 0.17 1.38 -3.43 6.82 3.04 -1.33 -3.46 116.25 119.44 2e8m h VAL 75 Ca -0.23 -2.21 -0.11 0.00 -1.01 0.00 0.00 66.70 63.14 2e8m h VAL 75 Cb 2.10 2.18 -0.18 0.00 -2.01 0.00 0.00 31.29 33.39 2e8m h VAL 75 CO 0.26 0.66 -0.34 0.00 -1.01 0.00 0.00 177.57 177.15 2e8m h PRO 77 N 3.45 0.00 -0.78 0.00 0.13 -1.81 -2.70 132.00 130.29 2e8m h PRO 77 Ca -0.32 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.68 2e8m h PRO 77 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 2e8m h PRO 77 CO 0.46 0.11 0.16 0.39 -0.23 0.00 0.00 178.00 178.90 2e8m n GLU 78 N -3.29 3.34 0.01 0.86 -0.58 -1.26 -4.49 120.64 115.23 2e8m n GLU 78 Ca -0.00 -2.38 -0.12 0.00 -0.42 0.00 0.00 57.16 54.24 2e8m n GLU 78 Cb 0.34 -2.03 -0.06 0.00 -0.57 0.00 0.00 31.44 29.12 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 3.43 0.09 1.25 0.62 0.00 -1.55 0.18 103.07 107.08 2e8m h GLY 79 Ca 0.16 -0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.53 2e8m h GLY 79 CO 0.53 0.04 0.30 0.00 0.00 0.00 0.00 176.54 177.41 2e8m h ALA 80 N 0.97 1.93 0.15 3.60 0.00 -1.79 0.21 119.26 124.34 2e8m h ALA 80 Ca 0.02 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.57 2e8m h ALA 80 Cb 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2e8m h ALA 80 CO -0.00 -0.44 -1.80 0.00 0.00 0.00 0.00 179.25 177.00 2e8m h ARG 81 N 0.00 0.32 -0.16 0.00 2.47 -1.71 -3.29 114.38 112.00 2e8m h ARG 81 Ca 0.13 -0.55 -0.05 0.00 -1.26 0.00 0.00 59.98 58.25 2e8m h ARG 81 Cb 0.73 0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 29.25 2e8m h ARG 81 CO -0.00 1.23 -0.09 0.28 0.56 0.00 0.00 179.97 181.95 2e8m h VAL 82 N 0.09 1.32 -0.86 2.04 2.07 0.41 -3.14 116.25 118.18 2e8m h VAL 82 Ca -0.36 -1.15 0.11 0.00 0.82 0.00 0.00 66.70 66.13 2e8m h VAL 82 Cb 2.07 1.73 -0.08 0.00 -1.52 0.00 0.00 31.29 33.49 2e8m h VAL 82 CO 0.15 0.34 0.49 0.22 0.02 0.00 0.00 177.57 178.78 2e8m h TYR 83 N 0.02 0.88 0.00 1.57 3.20 -0.83 0.27 116.97 122.07 2e8m h TYR 83 Ca 0.03 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 2e8m h TYR 83 Cb 0.57 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 2e8m h TYR 83 CO 0.07 0.32 -0.01 0.77 -1.64 0.00 0.00 178.16 177.67 2e8m h SER 84 N 0.78 0.00 0.62 -2.11 0.02 -1.61 0.16 113.55 111.41 2e8m h SER 84 Ca 0.43 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.26 2e8m h SER 84 Cb 0.47 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2e8m h SER 84 CO -0.28 0.01 -1.47 0.00 -1.14 0.00 0.00 176.83 173.95 2e8m n GLN 85 N -3.18 0.63 0.03 3.45 1.13 0.84 -4.20 117.38 116.07 2e8m n GLN 85 Ca -0.02 0.13 -0.15 0.00 -1.94 0.00 0.00 57.00 55.01 2e8m n GLN 85 Cb 0.12 -1.75 -0.14 0.00 0.11 0.00 0.00 30.24 28.58 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 1.02 -0.92 5.09 2.04 0.03 -3.36 117.51 121.41 2e8m h ILE 86 Ca -0.13 -2.73 0.14 0.00 1.00 0.00 0.00 64.86 63.14 2e8m h ILE 86 Cb 1.42 2.64 -0.09 0.00 -0.74 0.00 0.00 36.82 40.04 2e8m h ILE 86 CO 0.03 0.76 0.53 0.00 0.00 0.00 0.00 178.15 179.47 2e8m h THR 87 N 0.05 0.80 0.00 -0.27 1.03 -0.91 0.28 112.91 113.88 2e8m h THR 87 Ca -0.27 -0.27 -0.03 0.00 -0.01 0.00 0.00 66.41 65.83 2e8m h THR 87 Cb 2.00 -0.05 -0.00 0.00 -1.07 0.00 0.00 68.15 69.03 2e8m h THR 87 CO 0.13 0.14 -0.14 1.62 -0.01 0.00 0.00 175.52 177.26 2e8m h VAL 88 N 0.78 0.67 0.09 0.00 3.04 -1.73 -1.39 116.25 117.69 2e8m h VAL 88 Ca 0.49 -0.58 -0.13 0.00 -1.01 0.00 0.00 66.70 65.47 2e8m h VAL 88 Cb 0.63 1.36 0.01 0.00 -2.01 0.00 0.00 31.29 31.28 2e8m h VAL 88 CO -0.33 0.14 -0.58 1.56 -1.01 0.00 0.00 177.57 177.35 2e8m h GLN 89 N 0.00 0.18 -0.72 4.17 1.08 -0.66 -3.13 115.11 116.04 2e8m h GLN 89 Ca -0.00 -0.31 -0.02 0.00 -1.45 0.00 0.00 58.65 56.86 2e8m h GLN 89 Cb 0.35 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 2e8m h GLN 89 CO 0.02 1.15 0.37 0.87 -0.95 0.00 0.00 178.83 180.28 2e8m h LYS 90 N -0.61 1.02 0.00 1.46 1.57 -0.97 -1.85 116.57 117.19 2e8m h LYS 90 Ca -0.11 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 2e8m h LYS 90 Cb 1.42 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 2e8m h LYS 90 CO 0.08 0.78 -0.12 0.00 -0.57 0.00 0.00 179.45 179.62 2e8m h ALA 91 N 1.18 1.32 -0.10 3.86 0.00 -1.38 -0.39 119.26 123.75 2e8m h ALA 91 Ca 0.25 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2e8m h ALA 91 Cb 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2e8m h ALA 91 CO -0.04 0.15 -0.67 0.00 0.00 0.00 0.00 179.25 178.70 2e8m h ALA 92 N 1.88 0.66 0.00 0.00 0.00 -1.28 -3.34 119.26 117.18 2e8m h ALA 92 Ca -0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 2e8m h ALA 92 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2e8m h ALA 92 CO 0.02 0.74 -0.29 -0.07 0.00 0.00 0.00 179.25 179.65 2e8m h LEU 93 N 0.30 0.00 -2.37 0.00 3.38 -1.18 -3.50 115.31 111.93 2e8m h LEU 93 Ca -0.02 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2e8m h LEU 93 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2e8m h LEU 93 CO 0.12 0.89 -0.08 -1.20 0.09 0.00 0.00 178.44 178.25 2e8m n SER 94 N -4.63 -7.66 -2.80 -0.43 7.64 -0.21 -5.02 113.62 100.51 2e8m n SER 94 Ca -0.10 0.03 -0.10 0.00 1.01 0.00 0.00 58.87 59.71 2e8m n SER 94 Cb 0.33 -5.20 0.04 0.00 -1.01 0.00 0.00 64.21 58.37 2e8m n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e8m n GLY 95 N -1.50 0.31 3.69 0.23 0.00 -1.26 -5.13 105.19 101.53 2e8m n GLY 95 Ca 0.02 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 0.51 4.27 0.00 1.61 0.04 -1.26 -4.62 135.00 135.55 2e8m s PRO 96 Ca 0.32 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2e8m s PRO 96 Cb 0.22 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2e8m s PRO 96 CO -0.23 -0.59 0.00 -1.13 0.04 0.00 0.00 177.00 175.08 2e8m n SER 97 N 5.35 0.00 -4.46 6.66 3.41 -1.26 -5.08 113.62 118.23 2e8m n SER 97 Ca 0.13 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.31 2e8m n SER 97 Cb 0.43 0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 2e8m n SER 97 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e8m s SER 98 N -1.15 6.25 0.00 4.04 0.01 -1.26 -5.29 113.70 116.29 2e8m s SER 98 Ca 0.00 -0.80 0.11 0.00 1.31 0.00 0.00 55.95 56.57 2e8m s SER 98 Cb 0.00 -2.35 0.09 0.00 0.21 0.00 0.00 66.02 63.97 2e8m s SER 98 CO 0.00 -1.06 0.85 0.61 0.41 0.00 0.00 173.24 174.05