#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 4.84 0.46 1.61 0.15 -1.26 -4.95 113.70 114.55 2e8m s SER 2 Ca 0.00 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2e8m s SER 2 Cb 0.00 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2e8m s SER 2 CO 0.00 -1.57 0.00 -0.24 1.20 0.00 0.00 173.24 172.63 2e8m n SER 3 N -2.89 -8.32 0.00 5.45 2.88 -1.26 -5.08 113.62 104.40 2e8m n SER 3 Ca 0.08 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 2e8m n SER 3 Cb 0.60 -4.46 0.00 0.00 -0.75 0.00 0.00 64.21 59.60 2e8m n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e8m n GLY 4 N -4.23 2.67 3.31 0.46 0.00 -1.26 -5.15 105.19 100.99 2e8m n GLY 4 Ca -0.03 -1.22 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 2e8m n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e8m s SER 5 N 0.00 2.05 0.66 1.61 1.04 -1.26 -5.17 113.70 112.63 2e8m s SER 5 Ca 0.00 -1.09 0.05 0.00 0.48 0.00 0.00 55.95 55.39 2e8m s SER 5 Cb 0.00 -0.04 0.11 0.00 0.10 0.00 0.00 66.02 66.19 2e8m s SER 5 CO 0.00 -0.35 0.90 -0.94 0.98 0.00 0.00 173.24 173.83 2e8m s SER 6 N -3.26 4.68 0.00 7.02 1.04 -1.26 -4.89 113.70 117.03 2e8m s SER 6 Ca 0.22 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2e8m s SER 6 Cb 0.03 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2e8m s SER 6 CO 0.05 -1.64 0.00 0.61 0.98 0.00 0.00 173.24 173.24 2e8m n GLY 7 N -2.55 1.16 0.01 7.32 0.00 -1.26 -5.05 105.19 104.83 2e8m n GLY 7 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 2e8m n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2e8m n THR 8 N -0.07 0.17 -1.82 2.61 5.66 -1.26 -5.04 114.28 114.53 2e8m n THR 8 Ca 0.00 -0.08 -0.38 0.00 -3.05 0.00 0.00 64.05 60.54 2e8m n THR 8 Cb 0.00 -0.69 0.04 0.00 -1.55 0.00 0.00 70.33 68.13 2e8m n THR 8 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 2e8m s ILE 9 N -2.06 2.17 0.00 1.09 -5.25 -1.26 -4.65 121.20 111.25 2e8m s ILE 9 Ca -0.03 0.12 0.00 0.00 -0.99 0.00 0.00 60.65 59.75 2e8m s ILE 9 Cb 0.01 -3.06 0.00 0.00 2.95 0.00 0.00 42.46 42.36 2e8m s ILE 9 CO 0.08 -0.01 0.00 0.61 -1.79 0.00 0.00 174.94 173.83 2e8m n GLY 10 N 0.72 -0.52 3.57 6.27 0.00 -1.26 -5.09 105.19 108.88 2e8m n GLY 10 Ca 0.11 0.34 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 2e8m n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2e8m s ARG 11 N 0.00 3.03 -0.17 1.61 3.00 -1.26 -4.94 118.95 120.22 2e8m s ARG 11 Ca 0.00 0.84 -0.08 0.00 -1.00 0.00 0.00 55.73 55.49 2e8m s ARG 11 Cb 0.00 -4.25 0.06 0.00 0.00 0.00 0.00 34.95 30.76 2e8m s ARG 11 CO 0.00 -2.24 0.40 -1.54 0.00 0.00 0.00 175.30 171.92 2e8m s SER 12 N 6.49 -0.42 -0.03 -2.12 1.04 -1.26 -5.16 113.70 112.25 2e8m s SER 12 Ca 0.67 0.88 0.01 0.00 0.48 0.00 0.00 55.95 58.00 2e8m s SER 12 Cb -0.15 0.86 -0.03 0.00 0.10 0.00 0.00 66.02 66.80 2e8m s SER 12 CO 0.26 -0.20 -0.02 0.00 0.98 0.00 0.00 173.24 174.26 2e8m s ALA 13 N 1.67 3.20 0.62 5.32 0.00 -1.26 -5.11 121.76 126.20 2e8m s ALA 13 Ca -0.08 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 2e8m s ALA 13 Cb -0.09 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 2e8m s ALA 13 CO -0.12 0.62 1.05 0.00 0.00 0.00 0.00 175.76 177.30 2e8m s ALA 14 N -0.98 2.79 -0.14 0.00 0.00 -1.26 -5.05 121.76 117.11 2e8m s ALA 14 Ca 0.17 0.23 -0.05 0.00 0.00 0.00 0.00 51.96 52.30 2e8m s ALA 14 Cb -0.11 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2e8m s ALA 14 CO 0.07 -0.87 0.05 1.14 0.00 0.00 0.00 175.76 176.14 2e8m s GLN 15 N -4.48 3.55 -0.23 0.00 1.03 -1.26 -5.09 119.66 113.18 2e8m s GLN 15 Ca 0.60 -0.34 -0.10 0.00 0.04 0.00 0.00 55.36 55.56 2e8m s GLN 15 Cb -0.14 -3.05 0.09 0.00 0.03 0.00 0.00 33.01 29.94 2e8m s GLN 15 CO 0.43 0.49 0.53 0.15 -2.54 0.00 0.00 175.29 174.36 2e8m s LYS 16 N -0.26 0.49 -0.02 9.60 1.02 -1.26 -5.16 119.74 124.15 2e8m s LYS 16 Ca 0.08 1.10 -0.03 0.00 0.02 0.00 0.00 55.97 57.14 2e8m s LYS 16 Cb -0.12 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 2e8m s LYS 16 CO 0.02 -0.19 0.17 0.21 -0.92 0.00 0.00 175.35 174.63 2e8m s LYS 17 N 2.08 3.40 0.65 1.68 2.47 -1.26 -5.09 119.74 123.67 2e8m s LYS 17 Ca -0.07 -0.31 -0.15 0.00 -1.56 0.00 0.00 55.97 53.88 2e8m s LYS 17 Cb -0.09 -3.08 -0.01 0.00 -1.46 0.00 0.00 37.83 33.19 2e8m s LYS 17 CO -0.16 0.69 1.10 -0.06 0.16 0.00 0.00 175.35 177.08 2e8m s PHE 18 N -1.27 2.68 -0.47 4.03 0.40 -1.26 -5.03 117.98 117.06 2e8m s PHE 18 Ca 0.25 1.54 0.06 0.00 -0.60 0.00 0.00 56.93 58.18 2e8m s PHE 18 Cb -0.12 -3.14 0.18 0.00 0.51 0.00 0.00 43.02 40.44 2e8m s PHE 18 CO 0.16 -1.60 0.57 -1.58 0.70 0.00 0.00 175.22 173.47 2e8m s HIS 19 N -2.36 -0.69 0.12 0.36 2.46 -1.26 -5.14 115.29 108.77 2e8m s HIS 19 Ca 0.66 -1.07 0.05 0.00 0.47 0.00 0.00 55.06 55.17 2e8m s HIS 19 Cb -0.20 -0.12 -0.04 0.00 -0.13 0.00 0.00 32.58 32.10 2e8m s HIS 19 CO 0.41 -1.11 -0.12 0.14 -2.47 0.00 0.00 174.74 171.59 2e8m s VAL 20 N 0.74 1.15 0.77 0.89 -7.23 -1.26 -5.15 120.40 110.31 2e8m s VAL 20 Ca 0.29 -1.75 -0.11 0.00 -1.81 0.00 0.00 61.98 58.61 2e8m s VAL 20 Cb -0.00 -1.52 0.06 0.00 0.56 0.00 0.00 36.38 35.48 2e8m s VAL 20 CO -0.09 -0.53 1.09 -2.16 -0.31 0.00 0.00 175.10 173.10 2e8m s PRO 21 N -2.91 2.24 -0.16 4.82 0.04 -1.26 -5.08 135.00 132.70 2e8m s PRO 21 Ca 0.09 1.17 -0.14 0.00 0.04 0.00 0.00 61.00 62.16 2e8m s PRO 21 Cb -0.03 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.66 2e8m s PRO 21 CO 0.01 -1.65 0.43 1.03 0.04 0.00 0.00 177.00 176.86 2e8m s ARG 22 N -4.89 0.49 0.83 4.56 1.81 -1.26 -5.17 118.95 115.32 2e8m s ARG 22 Ca 0.61 0.61 -0.11 0.00 -1.72 0.00 0.00 55.73 55.12 2e8m s ARG 22 Cb -0.17 0.22 0.09 0.00 -0.45 0.00 0.00 34.95 34.64 2e8m s ARG 22 CO 0.56 -0.07 1.09 -1.14 -0.68 0.00 0.00 175.30 175.06 2e8m s GLN 23 N 0.32 1.82 -0.11 3.54 0.74 -1.26 -4.93 119.66 119.78 2e8m s GLN 23 Ca -0.01 0.76 -0.29 0.00 0.05 0.00 0.00 55.36 55.87 2e8m s GLN 23 Cb -0.03 -1.88 -0.06 0.00 1.10 0.00 0.00 33.01 32.14 2e8m s GLN 23 CO -0.00 -1.83 1.88 1.21 -0.55 0.00 0.00 175.29 176.00 2e8m s ASN 24 N -3.69 6.22 0.16 6.67 3.84 -1.26 -4.98 114.94 121.90 2e8m s ASN 24 Ca 0.62 2.13 0.11 0.00 0.21 0.00 0.00 52.86 55.92 2e8m s ASN 24 Cb -0.16 -2.53 -0.04 0.00 -0.55 0.00 0.00 41.25 37.97 2e8m s ASN 24 CO 0.55 -1.31 -0.22 0.68 -2.79 0.00 0.00 177.10 174.01 2e8m s VAL 25 N 5.52 2.50 0.87 -5.21 -7.23 -1.26 -5.14 120.40 110.46 2e8m s VAL 25 Ca 0.84 -1.80 -0.11 0.00 -1.81 0.00 0.00 61.98 59.10 2e8m s VAL 25 Cb -0.34 -2.17 0.11 0.00 0.56 0.00 0.00 36.38 34.55 2e8m s VAL 25 CO 0.35 -0.00 1.09 -2.16 -0.31 0.00 0.00 175.10 174.07 2e8m s PRO 26 N -2.37 1.49 0.26 4.82 0.04 -1.26 -4.99 135.00 132.98 2e8m s PRO 26 Ca 0.18 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 61.82 2e8m s PRO 26 Cb -0.09 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 2e8m s PRO 26 CO 0.09 -2.10 1.16 0.08 0.04 0.00 0.00 177.00 176.27 2e8m s VAL 27 N -2.93 3.38 -0.00 -0.36 1.01 -1.26 -5.04 120.40 115.20 2e8m s VAL 27 Ca 0.63 1.32 0.04 0.00 0.00 0.00 0.00 61.98 63.96 2e8m s VAL 27 Cb -0.18 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 2e8m s VAL 27 CO 0.57 0.28 -0.09 -0.63 0.00 0.00 0.00 175.10 175.23 2e8m s ILE 28 N -0.82 3.46 0.06 2.22 -1.09 -1.26 -5.13 121.20 118.64 2e8m s ILE 28 Ca 0.48 -0.80 -0.13 0.00 -2.23 0.00 0.00 60.65 57.97 2e8m s ILE 28 Cb -0.33 -2.47 0.02 0.00 -1.58 0.00 0.00 42.46 38.09 2e8m s ILE 28 CO 0.42 0.43 0.29 0.20 -1.23 0.00 0.00 174.94 175.04 2e8m s ASN 29 N -1.28 -0.09 0.10 3.58 -0.87 -1.26 -4.99 114.94 110.14 2e8m s ASN 29 Ca 0.16 -0.29 0.05 0.00 -1.57 0.00 0.00 52.86 51.21 2e8m s ASN 29 Cb -0.11 0.36 -0.04 0.00 -0.02 0.00 0.00 41.25 41.45 2e8m s ASN 29 CO 0.06 -0.65 -0.12 0.27 -2.57 0.00 0.00 177.10 174.08 2e8m s ILE 30 N -2.88 1.13 0.37 0.60 -4.36 -1.26 -4.98 121.20 109.81 2e8m s ILE 30 Ca -0.03 -1.61 0.04 0.00 -0.26 0.00 0.00 60.65 58.80 2e8m s ILE 30 Cb 0.00 -1.37 -0.03 0.00 1.25 0.00 0.00 42.46 42.32 2e8m s ILE 30 CO -0.05 -0.44 0.17 0.42 0.24 0.00 0.00 174.94 175.27 2e8m s THR 31 N -2.10 0.42 0.17 8.37 -4.23 -1.26 -4.88 115.64 112.14 2e8m s THR 31 Ca 0.05 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 58.90 2e8m s THR 31 Cb -0.05 -2.42 0.36 0.00 1.34 0.00 0.00 72.50 71.73 2e8m s THR 31 CO 0.02 0.00 2.03 1.88 -0.54 0.00 0.00 174.62 178.01 2e8m h TYR 32 N 1.96 0.00 -0.79 3.99 0.05 -1.95 -2.31 116.97 117.92 2e8m h TYR 32 Ca -0.33 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.88 2e8m h TYR 32 Cb 1.26 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 38.60 2e8m h TYR 32 CO 1.43 0.00 -0.46 -0.25 -1.05 0.00 0.00 178.16 177.83 2e8m n ASP 33 N -2.80 5.45 -4.99 3.88 8.00 -1.26 -3.02 116.55 121.81 2e8m n ASP 33 Ca -0.01 -3.76 -0.19 0.00 0.71 0.00 0.00 54.79 51.54 2e8m n ASP 33 Cb 0.15 -0.48 0.02 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 -3.22 5.58 0.24 -2.24 0.01 -0.87 -4.99 113.70 108.21 2e8m s SER 34 Ca 0.54 -0.18 -0.01 0.00 1.31 0.00 0.00 55.95 57.61 2e8m s SER 34 Cb 0.43 -0.89 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 2e8m s SER 34 CO 0.03 -0.85 0.44 0.42 0.41 0.00 0.00 173.24 173.69 2e8m s THR 35 N -2.49 5.16 -1.19 1.44 -4.23 -1.26 -3.01 115.64 110.06 2e8m s THR 35 Ca 0.54 -0.35 0.14 0.00 -1.18 0.00 0.00 61.69 60.84 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 0.35 -0.26 1.43 -0.81 -0.54 0.00 0.00 174.62 174.79 2e8m n PRO 36 N -0.92 0.09 0.00 3.99 -0.04 -1.26 -2.26 135.00 134.60 2e8m n PRO 36 Ca -0.04 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 2.13 -1.26 -4.06 120.64 117.31 2e8m n GLU 37 Ca 0.05 0.11 -0.18 0.00 0.66 0.00 0.00 57.16 57.80 2e8m n GLU 37 Cb 0.14 -1.71 -0.10 0.00 0.27 0.00 0.00 31.44 30.04 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 0.69 -0.86 4.31 5.19 -1.83 -3.27 116.42 120.65 2e8m h ASP 38 Ca -0.21 -0.62 0.05 0.00 -0.62 0.00 0.00 57.03 55.63 2e8m h ASP 38 Cb 1.61 -0.22 -0.05 0.00 0.18 0.00 0.00 39.33 40.84 2e8m h ASP 38 CO 0.03 1.44 0.56 0.58 -3.12 0.00 0.00 179.24 178.74 2e8m h VAL 39 N 0.24 1.09 -0.68 -1.35 2.07 -1.71 -1.33 116.25 114.58 2e8m h VAL 39 Ca -0.14 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 67.15 2e8m h VAL 39 Cb 1.80 -0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 31.48 2e8m h VAL 39 CO 0.21 0.18 0.24 0.50 0.02 0.00 0.00 177.57 178.72 2e8m h LYS 40 N 1.01 0.38 -0.03 1.57 3.64 -1.71 -0.67 116.57 120.75 2e8m h LYS 40 Ca 0.36 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.47 2e8m h LYS 40 Cb 0.14 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2e8m h LYS 40 CO -0.12 0.25 -0.97 1.15 -2.27 0.00 0.00 179.45 177.49 2e8m h THR 41 N 0.39 1.30 -0.51 1.00 2.02 -1.53 -2.87 112.91 112.72 2e8m h THR 41 Ca 0.36 -2.23 0.09 0.00 0.77 0.00 0.00 66.41 65.40 2e8m h THR 41 Cb 0.52 2.30 -0.03 0.00 -1.74 0.00 0.00 68.15 69.20 2e8m h THR 41 CO -0.38 0.69 0.35 -0.25 0.37 0.00 0.00 175.52 176.30 2e8m h TRP 42 N 0.39 0.31 0.14 3.16 7.01 -0.38 0.20 115.95 126.77 2e8m h TRP 42 Ca -0.10 0.01 -0.25 0.00 2.11 0.00 0.00 58.89 60.65 2e8m h TRP 42 Cb 1.61 -0.10 0.03 0.00 -2.10 0.00 0.00 29.16 28.59 2e8m h TRP 42 CO 0.09 0.15 -1.08 -0.07 -2.79 0.00 0.00 178.44 174.74 2e8m h LEU 43 N 0.30 0.71 -0.22 0.65 3.38 -1.14 -3.18 115.31 115.80 2e8m h LEU 43 Ca 0.23 -0.87 -0.03 0.00 0.09 0.00 0.00 57.88 57.31 2e8m h LEU 43 Cb 0.54 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2e8m h LEU 43 CO -0.05 1.52 0.03 1.56 0.09 0.00 0.00 178.44 181.59 2e8m h GLN 44 N 0.01 0.37 -0.31 1.13 1.08 -1.12 -1.69 115.11 114.58 2e8m h GLN 44 Ca -0.17 -0.10 0.07 0.00 -1.45 0.00 0.00 58.65 56.99 2e8m h GLN 44 Cb 1.80 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 29.12 2e8m h GLN 44 CO 0.21 0.52 -0.15 1.03 -0.95 0.00 0.00 178.83 179.48 2e8m h SER 45 N 0.17 -0.50 -0.18 1.46 0.87 -0.77 0.16 113.55 114.76 2e8m h SER 45 Ca 0.07 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.80 2e8m h SER 45 Cb 0.33 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2e8m h SER 45 CO 0.00 -0.18 0.19 0.11 -0.53 0.00 0.00 176.83 176.42 2e8m h LYS 46 N -0.10 0.00 0.00 2.24 1.79 -1.52 -3.45 116.57 115.53 2e8m h LYS 46 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2e8m h LYS 46 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2e8m h LYS 46 CO -0.38 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.40 2e8m n GLY 47 N -1.42 1.44 3.85 3.86 0.00 0.55 -5.10 105.19 108.36 2e8m n GLY 47 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 3.59 0.80 1.61 0.08 -0.65 -5.03 117.98 116.37 2e8m s PHE 48 Ca 0.00 1.06 -0.15 0.00 0.12 0.00 0.00 56.93 57.96 2e8m s PHE 48 Cb 0.00 -2.37 -0.00 0.00 -0.57 0.00 0.00 43.02 40.08 2e8m s PHE 48 CO 0.00 0.41 0.61 0.27 -0.10 0.00 0.00 175.22 176.40 2e8m n ASN 49 N 0.70 -1.04 0.19 1.36 6.94 -1.26 -4.63 115.26 117.52 2e8m n ASN 49 Ca -0.04 0.52 0.05 0.00 -0.02 0.00 0.00 54.58 55.09 2e8m n ASN 49 Cb 0.52 -1.26 0.38 0.00 -2.36 0.00 0.00 39.78 37.05 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 -0.75 0.00 0.00 -0.53 0.13 -1.98 -2.82 132.00 126.05 2e8m h PRO 50 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.37 -0.03 0.28 -0.23 0.00 0.00 178.00 178.80 2e8m h VAL 51 N 0.00 0.33 0.05 1.56 2.07 -2.00 -1.44 116.25 116.82 2e8m h VAL 51 Ca -0.00 -0.15 -0.33 0.00 0.82 0.00 0.00 66.70 67.04 2e8m h VAL 51 Cb 0.77 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 2e8m h VAL 51 CO 0.05 0.03 -1.84 0.41 0.02 0.00 0.00 177.57 176.24 2e8m n THR 52 N -3.51 1.63 0.32 2.57 -1.04 -1.08 -3.63 114.28 109.54 2e8m n THR 52 Ca -0.03 -0.37 0.21 0.00 -2.04 0.00 0.00 64.05 61.83 2e8m n THR 52 Cb 0.13 -1.84 1.09 0.00 -1.82 0.00 0.00 70.33 67.89 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 0.06 0.19 12.58 2.07 -1.37 0.27 116.25 129.55 2e8m h VAL 53 Ca -0.45 -0.12 -0.30 0.00 0.82 0.00 0.00 66.70 66.66 2e8m h VAL 53 Cb 1.69 1.11 0.02 0.00 -1.52 0.00 0.00 31.29 32.58 2e8m h VAL 53 CO -0.11 0.01 -1.41 0.78 0.02 0.00 0.00 177.57 176.86 2e8m h ASN 54 N 0.00 0.64 0.94 0.57 2.35 -1.42 -1.26 115.58 117.40 2e8m h ASN 54 Ca -0.00 -0.92 -0.20 0.00 -0.55 0.00 0.00 56.30 54.63 2e8m h ASN 54 Cb 0.11 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2e8m h ASN 54 CO 0.00 1.65 -0.93 -1.28 -1.65 0.00 0.00 177.43 175.22 2e8m h SER 55 N -0.05 0.00 -0.38 5.81 0.87 -1.47 -3.25 113.55 115.09 2e8m h SER 55 Ca -0.27 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.20 2e8m h SER 55 Cb 1.98 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.88 2e8m h SER 55 CO 0.19 0.93 0.04 0.18 -0.53 0.00 0.00 176.83 177.64 2e8m n LEU 56 N -3.42 4.37 -1.11 2.23 4.77 0.88 -4.46 117.00 120.27 2e8m n LEU 56 Ca -0.00 -3.27 0.11 0.00 -0.03 0.00 0.00 56.01 52.81 2e8m n LEU 56 Cb 0.89 -0.61 0.23 0.00 -2.33 0.00 0.00 43.42 41.60 2e8m n LEU 56 CO 0.46 0.86 0.70 0.61 -1.33 0.00 0.00 177.39 178.69 2e8m n GLY 57 N -0.63 2.02 0.00 -0.72 0.00 -0.47 -4.26 105.19 101.12 2e8m n GLY 57 Ca 0.29 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.64 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 1.36 0.00 -3.24 1.61 0.24 -1.26 -4.56 118.33 112.49 2e8m n VAL 58 Ca 0.19 -0.14 -0.39 0.00 -2.04 0.00 0.00 64.34 61.96 2e8m n VAL 58 Cb 0.57 0.54 -0.06 0.00 -1.47 0.00 0.00 33.84 33.42 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 -3.01 4.50 0.82 1.34 1.43 -1.26 -4.69 118.68 117.81 2e8m s LEU 59 Ca -0.01 1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 54.23 2e8m s LEU 59 Cb 0.02 -2.92 0.09 0.00 0.03 0.00 0.00 46.19 43.41 2e8m s LEU 59 CO 0.13 0.22 1.10 0.54 0.23 0.00 0.00 176.35 178.57 2e8m s ASN 60 N -0.85 4.25 0.34 2.29 2.20 -1.26 -4.20 114.94 117.70 2e8m s ASN 60 Ca 0.30 1.29 0.09 0.00 -0.94 0.00 0.00 52.86 53.60 2e8m s ASN 60 Cb -0.19 -2.00 0.83 0.00 -2.00 0.00 0.00 41.25 37.88 2e8m s ASN 60 CO 0.19 -2.12 1.80 1.23 -2.94 0.00 0.00 177.10 175.26 2e8m h GLY 61 N -1.20 1.51 0.96 0.45 0.00 -1.67 -0.05 103.07 103.06 2e8m h GLY 61 Ca -0.48 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.51 2e8m h GLY 61 CO 0.59 -0.03 -0.30 0.00 0.00 0.00 0.00 176.54 176.80 2e8m h ALA 62 N 1.62 -0.81 -0.07 3.60 0.00 -1.62 0.10 119.26 122.08 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 0.95 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2e8m h ALA 62 CO -0.31 -0.96 0.05 1.96 0.00 0.00 0.00 179.25 179.98 2e8m h GLN 63 N -0.81 0.10 -0.89 0.00 1.08 -1.70 -2.44 115.11 110.45 2e8m h GLN 63 Ca -0.08 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.20 2e8m h GLN 63 Cb 0.64 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.98 2e8m h GLN 63 CO 0.11 0.07 0.58 1.25 -0.95 0.00 0.00 178.83 179.89 2e8m h LEU 64 N 0.10 0.84 -2.00 1.46 6.46 -0.97 0.11 115.31 121.30 2e8m h LEU 64 Ca 0.03 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 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 -0.01 0.51 -0.07 -0.26 -0.62 0.00 0.00 178.44 177.99 2e8m h PHE 65 N 0.93 0.00 0.00 1.25 -1.00 -0.33 -2.10 116.94 115.70 2e8m h PHE 65 Ca 0.40 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 61.00 2e8m h PHE 65 Cb 0.33 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 2e8m h PHE 65 CO -0.00 0.07 -0.89 1.03 -1.61 0.00 0.00 178.31 176.91 2e8m h SER 66 N 0.00 0.00 -2.82 2.17 0.87 -0.43 -3.44 113.55 109.90 2e8m h SER 66 Ca -0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 2e8m h SER 66 Cb 0.32 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2e8m h SER 66 CO 0.01 0.89 0.92 -0.76 -0.53 0.00 0.00 176.83 177.36 2e8m s LEU 67 N -6.96 4.29 0.00 2.23 1.43 -0.79 -5.01 118.68 113.86 2e8m s LEU 67 Ca 0.00 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 2e8m s LEU 67 Cb 0.11 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.79 2e8m s LEU 67 CO 0.80 -0.79 0.11 0.59 0.23 0.00 0.00 176.35 177.29 2e8m n ASN 68 N 6.08 0.16 0.29 2.29 3.02 -1.26 -4.71 115.26 121.13 2e8m n ASN 68 Ca 0.14 -1.13 0.18 0.00 -0.03 0.00 0.00 54.58 53.74 2e8m n ASN 68 Cb 0.44 -0.07 0.97 0.00 -0.61 0.00 0.00 39.78 40.51 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 -0.04 116.57 121.74 2e8m h LYS 69 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2e8m h LYS 69 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2e8m h LYS 69 CO 0.04 0.00 -0.23 0.22 -2.27 0.00 0.00 179.45 177.21 2e8m h ASP 70 N 0.00 0.00 -0.87 4.20 1.82 -1.95 -2.82 116.42 116.81 2e8m h ASP 70 Ca 0.03 0.00 0.16 0.00 -0.39 0.00 0.00 57.03 56.82 2e8m h ASP 70 Cb 0.25 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 40.16 2e8m h ASP 70 CO -0.00 0.57 0.45 -0.33 -1.61 0.00 0.00 179.24 178.32 2e8m h GLU 71 N -0.91 0.60 -0.26 0.28 4.39 -1.87 0.59 114.58 117.39 2e8m h GLU 71 Ca 0.00 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.52 2e8m h GLU 71 Cb 0.23 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2e8m h GLU 71 CO 0.00 0.40 -0.42 -0.07 -1.16 0.00 0.00 179.01 177.75 2e8m h LEU 72 N 0.62 0.68 -1.43 1.33 3.38 -1.18 -2.32 115.31 116.39 2e8m h LEU 72 Ca 0.48 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2e8m h LEU 72 Cb 0.71 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2e8m h LEU 72 CO -0.38 1.02 -0.22 -0.09 0.09 0.00 0.00 178.44 178.86 2e8m h ARG 73 N 0.52 0.00 0.05 1.13 2.43 -0.72 -1.51 114.38 116.28 2e8m h ARG 73 Ca 0.04 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2e8m h ARG 73 Cb 0.95 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2e8m h ARG 73 CO 0.09 0.22 -0.29 1.79 -1.51 0.00 0.00 179.97 180.27 2e8m h THR 74 N 0.00 1.68 -0.49 0.20 1.35 -0.73 -3.34 112.91 111.58 2e8m h THR 74 Ca -0.00 -2.36 -0.07 0.00 -0.55 0.00 0.00 66.41 63.44 2e8m h THR 74 Cb 0.59 3.26 -0.02 0.00 -1.73 0.00 0.00 68.15 70.25 2e8m h THR 74 CO 0.03 0.63 0.03 1.62 -0.25 0.00 0.00 175.52 177.59 2e8m h VAL 75 N -0.74 1.23 -3.69 6.82 3.04 -1.37 -3.45 116.25 118.11 2e8m h VAL 75 Ca -0.05 -0.94 -0.12 0.00 -1.01 0.00 0.00 66.70 64.58 2e8m h VAL 75 Cb 1.21 0.83 -0.18 0.00 -2.01 0.00 0.00 31.29 31.14 2e8m h VAL 75 CO 0.06 0.33 -0.47 0.00 -1.01 0.00 0.00 177.57 176.48 2e8m h PRO 77 N 3.65 0.00 -0.76 0.00 0.13 -1.82 -2.68 132.00 130.52 2e8m h PRO 77 Ca -0.32 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.71 2e8m h PRO 77 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2e8m h PRO 77 CO 0.49 0.12 0.12 0.39 -0.23 0.00 0.00 178.00 178.88 2e8m n GLU 78 N -3.30 3.51 0.27 0.86 -0.58 -1.26 -4.56 120.64 115.59 2e8m n GLU 78 Ca -0.00 -2.39 -0.17 0.00 -0.42 0.00 0.00 57.16 54.18 2e8m n GLU 78 Cb 0.35 -2.05 -0.09 0.00 -0.57 0.00 0.00 31.44 29.08 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 3.65 -1.06 0.34 0.62 0.00 -1.55 0.12 103.07 105.18 2e8m h GLY 79 Ca 0.12 0.50 0.24 0.00 0.00 0.00 0.00 47.33 48.19 2e8m h GLY 79 CO 0.49 -0.35 0.60 0.00 0.00 0.00 0.00 176.54 177.29 2e8m h ALA 80 N -0.61 2.79 0.09 3.60 0.00 -1.80 0.33 119.26 123.65 2e8m h ALA 80 Ca -0.05 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 2e8m h ALA 80 Cb 0.79 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2e8m h ALA 80 CO -0.05 -1.03 -1.15 0.00 0.00 0.00 0.00 179.25 177.03 2e8m h ARG 81 N 0.00 0.23 -0.01 0.00 2.47 -1.65 -3.13 114.38 112.29 2e8m h ARG 81 Ca 0.39 -0.36 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 2e8m h ARG 81 Cb 1.59 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 30.04 2e8m h ARG 81 CO -0.00 1.15 -0.13 0.28 0.56 0.00 0.00 179.97 181.83 2e8m h VAL 82 N 0.08 1.55 -0.72 2.04 2.07 0.21 -3.26 116.25 118.22 2e8m h VAL 82 Ca -0.10 -1.81 0.11 0.00 0.82 0.00 0.00 66.70 65.73 2e8m h VAL 82 Cb 1.87 2.71 -0.08 0.00 -1.52 0.00 0.00 31.29 34.27 2e8m h VAL 82 CO 0.18 0.48 0.32 0.22 0.02 0.00 0.00 177.57 178.80 2e8m h TYR 83 N -0.58 0.57 -0.04 1.57 3.20 -0.81 0.27 116.97 121.15 2e8m h TYR 83 Ca -0.01 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.90 2e8m h TYR 83 Cb 0.86 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 2e8m h TYR 83 CO 0.18 0.15 0.08 1.03 -1.64 0.00 0.00 178.16 177.96 2e8m h SER 84 N 0.52 0.00 0.76 -2.11 0.87 -1.62 0.31 113.55 112.28 2e8m h SER 84 Ca 0.37 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.84 2e8m h SER 84 Cb 0.47 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2e8m h SER 84 CO -0.33 0.00 -1.31 0.00 -0.53 0.00 0.00 176.83 174.67 2e8m n GLN 85 N -3.42 0.62 0.01 2.24 1.13 0.84 -4.13 117.38 114.67 2e8m n GLN 85 Ca -0.02 0.15 -0.12 0.00 -1.94 0.00 0.00 57.00 55.07 2e8m n GLN 85 Cb 0.16 -1.79 -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 0.99 -0.85 5.09 2.04 0.21 -3.35 117.51 121.64 2e8m h ILE 86 Ca -0.10 -2.77 0.14 0.00 1.00 0.00 0.00 64.86 63.14 2e8m h ILE 86 Cb 1.33 2.56 -0.06 0.00 -0.74 0.00 0.00 36.82 39.90 2e8m h ILE 86 CO 0.02 0.68 0.55 0.00 0.00 0.00 0.00 178.15 179.41 2e8m h THR 87 N 0.02 0.84 0.00 -0.27 1.03 -0.67 0.24 112.91 114.10 2e8m h THR 87 Ca -0.26 -0.22 -0.05 0.00 -0.01 0.00 0.00 66.41 65.87 2e8m h THR 87 Cb 1.98 0.14 -0.01 0.00 -1.07 0.00 0.00 68.15 69.20 2e8m h THR 87 CO 0.10 0.12 -0.24 1.62 -0.01 0.00 0.00 175.52 177.12 2e8m h VAL 88 N 0.64 0.69 0.09 0.00 3.04 -1.74 -1.96 116.25 117.01 2e8m h VAL 88 Ca 0.42 -1.03 -0.16 0.00 -1.01 0.00 0.00 66.70 64.93 2e8m h VAL 88 Cb 0.71 1.66 0.01 0.00 -2.01 0.00 0.00 31.29 31.66 2e8m h VAL 88 CO -0.18 0.23 -0.73 1.56 -1.01 0.00 0.00 177.57 177.44 2e8m h GLN 89 N 0.00 0.20 -0.82 4.17 1.08 -0.74 -3.17 115.11 115.83 2e8m h GLN 89 Ca -0.00 -0.34 -0.03 0.00 -1.45 0.00 0.00 58.65 56.82 2e8m h GLN 89 Cb 0.64 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 28.16 2e8m h GLN 89 CO 0.03 1.16 0.39 0.87 -0.95 0.00 0.00 178.83 180.34 2e8m h LYS 90 N -0.55 1.18 0.00 1.46 1.57 -1.15 -1.89 116.57 117.19 2e8m h LYS 90 Ca -0.14 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 2e8m h LYS 90 Cb 1.49 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 2e8m h LYS 90 CO 0.08 0.91 -0.14 0.00 -0.57 0.00 0.00 179.45 179.73 2e8m h ALA 91 N 1.21 1.34 -0.13 3.86 0.00 -1.48 0.08 119.26 124.13 2e8m h ALA 91 Ca 0.28 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 2e8m h ALA 91 Cb 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2e8m h ALA 91 CO -0.04 0.18 -0.65 0.00 0.00 0.00 0.00 179.25 178.74 2e8m h ALA 92 N 1.86 0.64 0.19 0.00 0.00 -1.31 -3.29 119.26 117.35 2e8m h ALA 92 Ca -0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 54.91 54.03 2e8m h ALA 92 Cb 0.36 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.10 2e8m h ALA 92 CO 0.02 0.72 -1.51 -0.07 0.00 0.00 0.00 179.25 178.41 2e8m h LEU 93 N 0.35 0.64 -5.91 0.00 3.38 -1.23 -3.39 115.31 109.16 2e8m h LEU 93 Ca -0.01 -0.92 -0.67 0.00 0.09 0.00 0.00 57.88 56.36 2e8m h LEU 93 Cb 1.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2e8m h LEU 93 CO 0.12 1.70 3.05 -1.20 0.09 0.00 0.00 178.44 182.19 2e8m n SER 94 N -3.75 4.41 -3.62 -0.43 7.64 -0.03 -4.82 113.62 113.01 2e8m n SER 94 Ca -0.21 -2.73 -0.07 0.00 1.01 0.00 0.00 58.87 56.87 2e8m n SER 94 Cb 1.03 -1.50 -0.01 0.00 -1.01 0.00 0.00 64.21 62.72 2e8m n SER 94 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e8m s GLY 95 N 3.42 0.00 -0.04 0.23 0.00 -1.26 -4.87 107.32 104.80 2e8m s GLY 95 Ca 0.52 -0.35 -0.30 0.00 0.00 0.00 0.00 44.72 44.59 2e8m s GLY 95 CO -0.04 -0.04 1.48 2.56 0.00 0.00 0.00 173.10 177.07 2e8m s PRO 96 N -3.42 4.23 0.00 2.90 0.04 -1.26 -4.92 135.00 132.57 2e8m s PRO 96 Ca 0.13 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2e8m s PRO 96 Cb -0.05 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.74 2e8m s PRO 96 CO 0.07 -0.70 0.00 0.43 0.04 0.00 0.00 177.00 176.84 2e8m n SER 97 N 6.22 0.00 -3.57 6.66 7.64 -1.26 -5.13 113.62 124.18 2e8m n SER 97 Ca 0.15 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.91 2e8m n SER 97 Cb 0.43 -0.19 -0.05 0.00 -1.01 0.00 0.00 64.21 63.39 2e8m n SER 97 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2e8m s SER 98 N -2.88 -0.43 0.00 6.43 1.04 -1.26 -5.32 113.70 111.28 2e8m s SER 98 Ca 0.00 0.50 0.10 0.00 0.48 0.00 0.00 55.95 57.03 2e8m s SER 98 Cb 0.00 0.40 0.60 0.00 0.10 0.00 0.00 66.02 67.12 2e8m s SER 98 CO 0.00 -0.37 1.05 0.61 0.98 0.00 0.00 173.24 175.51