#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e8m n SER 2 N 0.00 2.45 0.02 1.61 7.64 -1.26 -5.09 113.62 118.99 2e8m n SER 2 Ca 0.00 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.14 2e8m n SER 2 Cb 0.00 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2e8m n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2e8m n SER 3 N -2.09 0.24 -3.65 6.43 2.88 -1.26 -5.16 113.62 111.00 2e8m n SER 3 Ca 0.08 0.06 -0.02 0.00 -1.33 0.00 0.00 58.87 57.66 2e8m n SER 3 Cb 0.63 -0.05 -0.01 0.00 -0.75 0.00 0.00 64.21 64.03 2e8m n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e8m s GLY 4 N -3.50 -0.34 -0.09 0.46 0.00 -1.26 -5.19 107.32 97.40 2e8m s GLY 4 Ca 0.00 0.65 -0.32 0.00 0.00 0.00 0.00 44.72 45.05 2e8m s GLY 4 CO 0.00 0.16 1.16 -0.56 0.00 0.00 0.00 173.10 173.86 2e8m s SER 5 N -2.80 -0.16 0.15 1.64 0.01 -1.26 -5.16 113.70 106.13 2e8m s SER 5 Ca 0.12 -0.06 -0.21 0.00 1.31 0.00 0.00 55.95 57.10 2e8m s SER 5 Cb 0.01 0.21 -0.08 0.00 0.21 0.00 0.00 66.02 66.38 2e8m s SER 5 CO -0.02 -0.36 0.68 -0.94 0.41 0.00 0.00 173.24 173.00 2e8m s SER 6 N -2.48 7.15 -0.29 2.44 1.04 -1.26 -5.05 113.70 115.24 2e8m s SER 6 Ca 0.10 1.42 0.04 0.00 0.48 0.00 0.00 55.95 57.99 2e8m s SER 6 Cb 0.00 -2.42 0.19 0.00 0.10 0.00 0.00 66.02 63.90 2e8m s SER 6 CO -0.05 0.17 0.56 -0.83 0.98 0.00 0.00 173.24 174.07 2e8m s GLY 7 N -1.33 -1.09 -0.28 7.32 0.00 -1.26 -5.02 107.32 105.66 2e8m s GLY 7 Ca 0.36 1.10 0.16 0.00 0.00 0.00 0.00 44.72 46.34 2e8m s GLY 7 CO 0.22 3.51 1.14 2.41 0.00 0.00 0.00 173.10 180.38 2e8m n THR 8 N 5.41 1.84 -2.66 0.90 -1.04 -1.26 -5.09 114.28 112.39 2e8m n THR 8 Ca 0.03 -3.53 -0.23 0.00 -2.04 0.00 0.00 64.05 58.28 2e8m n THR 8 Cb 0.53 0.18 0.10 0.00 -1.82 0.00 0.00 70.33 69.31 2e8m n THR 8 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 2e8m s ILE 9 N -4.17 2.14 0.00 12.58 -5.25 -1.26 -5.09 121.20 120.14 2e8m s ILE 9 Ca 0.38 -0.66 0.00 0.00 -0.99 0.00 0.00 60.65 59.38 2e8m s ILE 9 Cb 0.36 -2.47 0.00 0.00 2.95 0.00 0.00 42.46 43.30 2e8m s ILE 9 CO -0.00 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 173.76 2e8m n GLY 10 N -2.73 0.11 3.68 6.27 0.00 -1.26 -5.10 105.19 106.16 2e8m n GLY 10 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 3.37 0.00 1.61 1.81 -1.26 -4.88 118.95 119.61 2e8m s ARG 11 Ca 0.00 -0.36 0.00 0.00 -1.72 0.00 0.00 55.73 53.65 2e8m s ARG 11 Cb 0.00 -2.97 0.00 0.00 -0.45 0.00 0.00 34.95 31.53 2e8m s ARG 11 CO 0.00 0.56 0.00 0.43 -0.68 0.00 0.00 175.30 175.61 2e8m n SER 12 N 2.60 0.00 -3.54 0.23 7.64 -1.26 -5.09 113.62 114.21 2e8m n SER 12 Ca -0.18 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.41 2e8m n SER 12 Cb 0.53 0.28 -0.15 0.00 -1.01 0.00 0.00 64.21 63.86 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 -1.78 0.60 -0.95 -0.43 0.00 -1.26 -5.05 121.76 112.89 2e8m s ALA 13 Ca 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 2e8m s ALA 13 Cb 0.00 -1.40 0.29 0.00 0.00 0.00 0.00 23.12 22.02 2e8m s ALA 13 CO 0.00 -1.65 1.28 0.00 0.00 0.00 0.00 175.76 175.39 2e8m n ALA 14 N 5.25 4.87 -2.77 0.00 0.00 -1.26 -5.03 120.51 121.58 2e8m n ALA 14 Ca -0.06 -4.80 -0.22 0.00 0.00 0.00 0.00 53.44 48.36 2e8m n ALA 14 Cb 0.42 -1.94 -0.04 0.00 0.00 0.00 0.00 19.45 17.90 2e8m n ALA 14 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2e8m s GLN 15 N -2.72 2.96 -0.09 0.00 -2.07 -1.26 -5.11 119.66 111.37 2e8m s GLN 15 Ca 0.34 -1.06 -0.12 0.00 -1.82 0.00 0.00 55.36 52.69 2e8m s GLN 15 Cb 0.08 -2.59 -0.05 0.00 -1.09 0.00 0.00 33.01 29.35 2e8m s GLN 15 CO 0.07 0.34 0.30 0.15 -1.32 0.00 0.00 175.29 174.83 2e8m s LYS 16 N -3.90 3.91 -0.10 9.60 -0.14 -1.26 -4.99 119.74 122.86 2e8m s LYS 16 Ca 0.35 0.17 -0.06 0.00 -1.36 0.00 0.00 55.97 55.07 2e8m s LYS 16 Cb -0.08 -3.28 -0.05 0.00 -1.68 0.00 0.00 37.83 32.74 2e8m s LYS 16 CO 0.26 0.56 -0.15 1.63 -0.76 0.00 0.00 175.35 176.89 2e8m n LYS 17 N 2.46 0.24 -1.98 1.68 5.02 -1.26 -4.99 118.16 119.33 2e8m n LYS 17 Ca -0.15 0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 2e8m n LYS 17 Cb 0.53 -0.90 -0.03 0.00 -0.02 0.00 0.00 35.03 34.61 2e8m n LYS 17 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2e8m s PHE 18 N -2.23 2.60 -0.06 2.13 0.40 -1.26 -5.00 117.98 114.56 2e8m s PHE 18 Ca -0.15 0.45 -0.01 0.00 -0.60 0.00 0.00 56.93 56.62 2e8m s PHE 18 Cb 0.06 -3.91 0.03 0.00 0.51 0.00 0.00 43.02 39.71 2e8m s PHE 18 CO 0.20 -3.55 0.02 -3.38 0.70 0.00 0.00 175.22 169.21 2e8m s HIS 19 N 2.35 0.43 0.11 0.36 -3.43 -1.26 -5.15 115.29 108.71 2e8m s HIS 19 Ca 0.72 -0.01 0.05 0.00 -0.80 0.00 0.00 55.06 55.01 2e8m s HIS 19 Cb -0.39 -0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 30.06 2e8m s HIS 19 CO 0.31 -0.27 -0.11 0.14 -2.00 0.00 0.00 174.74 172.81 2e8m s VAL 20 N 1.98 1.10 0.06 -5.38 -7.23 -1.26 -5.12 120.40 104.54 2e8m s VAL 20 Ca 0.04 -1.73 -0.31 0.00 -1.81 0.00 0.00 61.98 58.17 2e8m s VAL 20 Cb -0.12 -1.49 -0.07 0.00 0.56 0.00 0.00 36.38 35.26 2e8m s VAL 20 CO -0.04 -0.54 1.41 -2.16 -0.31 0.00 0.00 175.10 173.45 2e8m s PRO 21 N -2.90 4.30 -0.72 4.82 0.04 -1.26 -4.99 135.00 134.29 2e8m s PRO 21 Ca 0.08 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.12 2e8m s PRO 21 Cb -0.03 -3.42 0.18 0.00 0.04 0.00 0.00 34.50 31.28 2e8m s PRO 21 CO 0.01 -0.51 0.56 0.50 0.04 0.00 0.00 177.00 177.60 2e8m s ARG 22 N 1.78 2.87 0.33 4.56 3.52 -1.26 -5.07 118.95 125.68 2e8m s ARG 22 Ca 0.65 -2.72 0.08 0.00 -0.13 0.00 0.00 55.73 53.61 2e8m s ARG 22 Cb -0.34 -3.87 -0.03 0.00 -1.56 0.00 0.00 34.95 29.14 2e8m s ARG 22 CO 0.29 -1.21 0.23 -0.65 -0.81 0.00 0.00 175.30 173.15 2e8m s GLN 23 N -0.37 2.64 -0.45 5.12 -0.21 -1.26 -5.04 119.66 120.10 2e8m s GLN 23 Ca 0.20 -1.34 -0.27 0.00 0.02 0.00 0.00 55.36 53.97 2e8m s GLN 23 Cb -0.16 -2.40 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 2e8m s GLN 23 CO -0.06 0.14 2.06 -0.80 -2.12 0.00 0.00 175.29 174.51 2e8m s ASN 24 N -3.93 5.20 0.14 5.90 0.01 -1.26 -4.95 114.94 116.05 2e8m s ASN 24 Ca 0.39 1.03 0.10 0.00 -0.71 0.00 0.00 52.86 53.66 2e8m s ASN 24 Cb -0.05 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 2e8m s ASN 24 CO 0.25 -2.30 -0.23 0.68 -1.51 0.00 0.00 177.10 173.99 2e8m s VAL 25 N 9.36 2.01 0.87 1.60 -7.23 -1.26 -5.14 120.40 120.61 2e8m s VAL 25 Ca 0.84 -1.78 -0.11 0.00 -1.81 0.00 0.00 61.98 59.12 2e8m s VAL 25 Cb -0.19 -1.85 0.11 0.00 0.56 0.00 0.00 36.38 35.01 2e8m s VAL 25 CO 0.28 -0.08 1.09 -2.16 -0.31 0.00 0.00 175.10 173.91 2e8m s PRO 26 N -2.29 1.48 0.28 4.82 0.04 -1.26 -5.00 135.00 133.08 2e8m s PRO 26 Ca 0.13 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 2e8m s PRO 26 Cb -0.09 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 2e8m s PRO 26 CO 0.06 -2.10 1.10 0.54 0.04 0.00 0.00 177.00 176.64 2e8m s VAL 27 N -2.93 3.49 0.03 -0.36 0.11 -1.26 -5.05 120.40 114.43 2e8m s VAL 27 Ca 0.63 1.50 0.07 0.00 -2.93 0.00 0.00 61.98 61.25 2e8m s VAL 27 Cb -0.18 -3.95 -0.03 0.00 -1.53 0.00 0.00 36.38 30.69 2e8m s VAL 27 CO 0.57 0.36 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.87 2e8m s ILE 28 N -1.17 2.65 0.02 7.04 -1.09 -1.26 -5.13 121.20 122.26 2e8m s ILE 28 Ca 0.45 -1.19 -0.18 0.00 -2.23 0.00 0.00 60.65 57.50 2e8m s ILE 28 Cb -0.32 -2.09 0.03 0.00 -1.58 0.00 0.00 42.46 38.51 2e8m s ILE 28 CO 0.41 0.37 0.39 0.20 -1.23 0.00 0.00 174.94 175.08 2e8m s ASN 29 N -1.32 -0.27 0.14 3.58 -0.87 -1.26 -5.00 114.94 109.94 2e8m s ASN 29 Ca 0.14 0.06 0.07 0.00 -1.57 0.00 0.00 52.86 51.56 2e8m s ASN 29 Cb -0.10 0.39 -0.04 0.00 -0.02 0.00 0.00 41.25 41.48 2e8m s ASN 29 CO 0.04 -0.59 -0.16 0.27 -2.57 0.00 0.00 177.10 174.09 2e8m s ILE 30 N -2.05 1.55 0.39 0.60 -4.36 -1.26 -4.99 121.20 111.07 2e8m s ILE 30 Ca -0.08 -1.80 0.05 0.00 -0.26 0.00 0.00 60.65 58.56 2e8m s ILE 30 Cb -0.02 -1.66 -0.02 0.00 1.25 0.00 0.00 42.46 42.00 2e8m s ILE 30 CO 0.01 -0.36 0.18 0.42 0.24 0.00 0.00 174.94 175.42 2e8m s THR 31 N -2.07 0.38 0.03 8.37 -4.23 -1.26 -4.87 115.64 111.98 2e8m s THR 31 Ca 0.12 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.94 2e8m s THR 31 Cb -0.05 -2.37 0.33 0.00 1.34 0.00 0.00 72.50 71.74 2e8m s THR 31 CO 0.04 0.00 1.94 1.88 -0.54 0.00 0.00 174.62 177.95 2e8m h TYR 32 N 1.89 0.00 -0.80 3.99 0.05 -1.95 -2.45 116.97 117.70 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 1.61 0.00 -0.48 -0.25 -1.05 0.00 0.00 178.16 177.99 2e8m n ASP 33 N -2.69 5.47 -5.00 3.88 9.92 -1.26 -3.22 116.55 123.65 2e8m n ASP 33 Ca -0.00 -3.76 -0.19 0.00 -0.53 0.00 0.00 54.79 50.31 2e8m n ASP 33 Cb 0.17 -0.47 0.01 0.00 -0.64 0.00 0.00 41.12 40.19 2e8m n ASP 33 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2e8m s SER 34 N -3.25 5.65 0.22 -2.24 0.01 -0.92 -5.00 113.70 108.18 2e8m s SER 34 Ca 0.54 -0.25 -0.00 0.00 1.31 0.00 0.00 55.95 57.55 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 -0.77 0.41 0.42 0.41 0.00 0.00 173.24 173.74 2e8m s THR 35 N -2.41 5.19 -1.16 1.44 -4.23 -1.26 -3.18 115.64 110.02 2e8m s THR 35 Ca 0.53 -0.41 0.14 0.00 -1.18 0.00 0.00 61.69 60.78 2e8m s THR 35 Cb -0.10 -3.76 0.17 0.00 1.34 0.00 0.00 72.50 70.15 2e8m s THR 35 CO 0.34 -0.24 1.43 -0.81 -0.54 0.00 0.00 174.62 174.81 2e8m n PRO 36 N -0.86 0.08 0.00 3.99 -0.04 -1.26 -2.27 135.00 134.64 2e8m n PRO 36 Ca -0.05 0.22 -0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2e8m n PRO 36 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.42 0.64 0.08 0.54 2.13 -1.26 -4.03 120.64 117.32 2e8m n GLU 37 Ca 0.05 0.12 -0.20 0.00 0.66 0.00 0.00 57.16 57.79 2e8m n GLU 37 Cb 0.15 -1.71 -0.11 0.00 0.27 0.00 0.00 31.44 30.03 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 0.77 -0.83 4.31 3.32 -1.83 -3.27 116.42 118.90 2e8m h ASP 38 Ca -0.21 -0.69 0.07 0.00 0.02 0.00 0.00 57.03 56.22 2e8m h ASP 38 Cb 1.62 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.87 2e8m h ASP 38 CO 0.04 1.50 0.54 0.58 -1.72 0.00 0.00 179.24 180.18 2e8m h VAL 39 N 0.27 1.03 -0.68 -1.35 2.07 -1.71 -1.49 116.25 114.39 2e8m h VAL 39 Ca -0.15 -0.31 0.12 0.00 0.82 0.00 0.00 66.70 67.17 2e8m h VAL 39 Cb 1.83 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 2e8m h VAL 39 CO 0.22 0.16 0.25 0.50 0.02 0.00 0.00 177.57 178.72 2e8m h LYS 40 N 0.90 0.41 -0.07 1.57 3.64 -1.71 -0.74 116.57 120.57 2e8m h LYS 40 Ca 0.36 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.48 2e8m h LYS 40 Cb 0.25 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2e8m h LYS 40 CO -0.13 0.27 -0.89 1.15 -2.27 0.00 0.00 179.45 177.57 2e8m h THR 41 N 0.42 1.31 -0.76 1.00 2.02 -1.50 -2.91 112.91 112.48 2e8m h THR 41 Ca 0.35 -2.16 0.09 0.00 0.77 0.00 0.00 66.41 65.46 2e8m h THR 41 Cb 0.49 2.20 -0.05 0.00 -1.74 0.00 0.00 68.15 69.05 2e8m h THR 41 CO -0.36 0.67 0.50 -0.25 0.37 0.00 0.00 175.52 176.45 2e8m h TRP 42 N 0.41 0.75 -0.08 3.16 7.01 -0.42 0.20 115.95 126.99 2e8m h TRP 42 Ca -0.08 0.02 -0.23 0.00 2.11 0.00 0.00 58.89 60.71 2e8m h TRP 42 Cb 1.53 -0.24 0.01 0.00 -2.10 0.00 0.00 29.16 28.36 2e8m h TRP 42 CO 0.08 0.36 -0.83 -0.07 -2.79 0.00 0.00 178.44 175.19 2e8m h LEU 43 N 0.71 0.87 -0.34 0.65 3.38 -1.16 -3.13 115.31 116.28 2e8m h LEU 43 Ca 0.35 -0.68 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 2e8m h LEU 43 Cb 0.41 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2e8m h LEU 43 CO -0.13 1.42 0.00 1.56 0.09 0.00 0.00 178.44 181.39 2e8m h GLN 44 N 0.38 0.60 -0.40 1.13 4.20 -1.13 -2.03 115.11 117.86 2e8m h GLN 44 Ca -0.08 -0.19 0.08 0.00 0.06 0.00 0.00 58.65 58.52 2e8m h GLN 44 Cb 1.48 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 29.13 2e8m h GLN 44 CO 0.17 0.72 -0.05 1.03 -0.67 0.00 0.00 178.83 180.02 2e8m h SER 45 N 0.41 -0.28 0.12 1.46 0.87 -0.70 0.24 113.55 115.68 2e8m h SER 45 Ca 0.10 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2e8m h SER 45 Cb 0.44 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2e8m h SER 45 CO 0.02 -0.10 -0.01 0.11 -0.53 0.00 0.00 176.83 176.32 2e8m h LYS 46 N 0.05 0.00 -0.41 2.24 1.79 -1.48 -3.46 116.57 115.29 2e8m h LYS 46 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2e8m h LYS 46 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2e8m h LYS 46 CO -0.38 0.01 0.00 0.41 -1.08 0.00 0.00 179.45 178.41 2e8m n GLY 47 N -0.99 0.84 3.88 3.86 0.00 0.84 -5.09 105.19 108.53 2e8m n GLY 47 Ca -0.03 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.12 3.53 0.80 1.61 0.08 -0.78 -5.03 117.98 116.08 2e8m s PHE 48 Ca 0.00 0.71 -0.15 0.00 0.12 0.00 0.00 56.93 57.61 2e8m s PHE 48 Cb 0.00 -2.11 -0.01 0.00 -0.57 0.00 0.00 43.02 40.33 2e8m s PHE 48 CO 0.00 0.47 0.53 0.27 -0.10 0.00 0.00 175.22 176.39 2e8m n ASN 49 N 0.56 -1.35 0.19 1.36 6.94 -1.26 -4.68 115.26 117.03 2e8m n ASN 49 Ca -0.06 0.50 0.05 0.00 -0.02 0.00 0.00 54.58 55.06 2e8m n ASN 49 Cb 0.52 -1.23 0.39 0.00 -2.36 0.00 0.00 39.78 37.10 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 -0.78 0.00 0.00 -0.53 0.13 -1.98 -2.82 132.00 126.01 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 0.40 0.35 -0.04 0.28 -0.23 0.00 0.00 178.00 178.77 2e8m h VAL 51 N 0.00 0.42 0.06 1.56 2.07 -2.00 -1.64 116.25 116.72 2e8m h VAL 51 Ca -0.00 -0.19 -0.34 0.00 0.82 0.00 0.00 66.70 66.99 2e8m h VAL 51 Cb 0.76 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2e8m h VAL 51 CO 0.05 0.04 -1.88 0.41 0.02 0.00 0.00 177.57 176.20 2e8m n THR 52 N -3.61 1.66 0.29 2.57 -1.04 -1.08 -3.44 114.28 109.62 2e8m n THR 52 Ca -0.02 -0.44 0.17 0.00 -2.04 0.00 0.00 64.05 61.72 2e8m n THR 52 Cb 0.14 -1.80 0.87 0.00 -1.82 0.00 0.00 70.33 67.72 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 -0.34 0.00 0.08 12.58 2.07 -1.35 0.27 116.25 129.56 2e8m h VAL 53 Ca -0.44 -0.11 -0.34 0.00 0.82 0.00 0.00 66.70 66.63 2e8m h VAL 53 Cb 1.77 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 2e8m h VAL 53 CO -0.06 0.00 -1.85 0.78 0.02 0.00 0.00 177.57 176.45 2e8m h ASN 54 N 0.00 0.28 0.41 0.57 2.35 -1.45 -2.57 115.58 115.16 2e8m h ASN 54 Ca 0.00 -0.60 -0.31 0.00 -0.55 0.00 0.00 56.30 54.84 2e8m h ASN 54 Cb 0.13 -0.09 0.02 0.00 0.05 0.00 0.00 38.32 38.43 2e8m h ASN 54 CO 0.00 1.53 -1.40 -1.28 -1.65 0.00 0.00 177.43 174.64 2e8m h SER 55 N 0.05 0.68 -0.52 5.81 0.87 -1.41 -3.30 113.55 115.73 2e8m h SER 55 Ca -0.36 -0.73 -0.09 0.00 -1.23 0.00 0.00 61.79 59.38 2e8m h SER 55 Cb 2.03 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 63.71 2e8m h SER 55 CO 0.09 1.57 0.09 0.18 -0.53 0.00 0.00 176.83 178.24 2e8m n LEU 56 N -3.64 5.20 -1.20 2.23 4.77 0.88 -4.36 117.00 120.88 2e8m n LEU 56 Ca -0.14 -3.13 0.12 0.00 -0.03 0.00 0.00 56.01 52.83 2e8m n LEU 56 Cb 1.07 -0.66 0.25 0.00 -2.33 0.00 0.00 43.42 41.76 2e8m n LEU 56 CO 0.58 0.76 0.73 0.61 -1.33 0.00 0.00 177.39 178.73 2e8m n GLY 57 N -0.13 1.91 0.00 -0.72 0.00 -0.97 -4.16 105.19 101.12 2e8m n GLY 57 Ca 0.31 -0.75 0.02 0.00 0.00 0.00 0.00 46.02 45.60 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 1.51 0.00 -3.30 1.61 0.24 -1.26 -4.54 118.33 112.59 2e8m n VAL 58 Ca 0.21 -0.19 -0.38 0.00 -2.04 0.00 0.00 64.34 61.93 2e8m n VAL 58 Cb 0.60 0.62 -0.06 0.00 -1.47 0.00 0.00 33.84 33.54 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 -2.85 4.46 0.81 1.34 1.43 -1.26 -4.69 118.68 117.91 2e8m s LEU 59 Ca -0.00 1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 54.10 2e8m s LEU 59 Cb 0.02 -2.82 0.08 0.00 0.03 0.00 0.00 46.19 43.50 2e8m s LEU 59 CO 0.13 0.20 1.09 0.54 0.23 0.00 0.00 176.35 178.54 2e8m s ASN 60 N -0.63 4.33 0.36 2.29 2.20 -1.26 -4.24 114.94 117.99 2e8m s ASN 60 Ca 0.28 1.45 0.12 0.00 -0.94 0.00 0.00 52.86 53.77 2e8m s ASN 60 Cb -0.18 -2.18 0.92 0.00 -2.00 0.00 0.00 41.25 37.81 2e8m s ASN 60 CO 0.16 -2.09 1.81 1.23 -2.94 0.00 0.00 177.10 175.27 2e8m h GLY 61 N -1.17 1.32 0.98 0.45 0.00 -1.69 -0.34 103.07 102.62 2e8m h GLY 61 Ca -0.47 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 2e8m h GLY 61 CO 0.57 -0.03 -0.26 0.00 0.00 0.00 0.00 176.54 176.82 2e8m h ALA 62 N 1.62 -0.72 -0.03 3.60 0.00 -1.61 0.58 119.26 122.71 2e8m h ALA 62 Ca 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2e8m h ALA 62 Cb 1.05 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2e8m h ALA 62 CO -0.27 -0.89 0.02 1.96 0.00 0.00 0.00 179.25 180.06 2e8m h GLN 63 N -0.74 0.03 -0.90 0.00 1.08 -1.68 -2.45 115.11 110.45 2e8m h GLN 63 Ca -0.07 -0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.21 2e8m h GLN 63 Cb 0.56 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.92 2e8m h GLN 63 CO 0.12 0.02 0.58 1.25 -0.95 0.00 0.00 178.83 179.86 2e8m h LEU 64 N 0.03 0.85 -1.93 1.46 6.46 -1.05 0.10 115.31 121.24 2e8m h LEU 64 Ca 0.01 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 2e8m h LEU 64 Cb -0.00 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.76 2e8m h LEU 64 CO -0.00 0.52 -0.09 -0.26 -0.62 0.00 0.00 178.44 177.99 2e8m h PHE 65 N 0.95 0.00 0.00 1.25 -1.00 -0.43 -2.13 116.94 115.58 2e8m h PHE 65 Ca 0.41 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 61.01 2e8m h PHE 65 Cb 0.32 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.86 2e8m h PHE 65 CO -0.00 0.09 -0.85 1.03 -1.61 0.00 0.00 178.31 176.97 2e8m h SER 66 N 0.00 0.00 -2.84 2.17 0.87 -0.38 -3.44 113.55 109.92 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 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2e8m h SER 66 CO 0.01 0.85 0.91 -0.76 -0.53 0.00 0.00 176.83 177.31 2e8m s LEU 67 N -6.65 4.29 0.00 2.23 1.43 -0.80 -5.02 118.68 114.16 2e8m s LEU 67 Ca 0.02 2.05 -0.00 0.00 -1.03 0.00 0.00 54.13 55.16 2e8m s LEU 67 Cb 0.09 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.79 2e8m s LEU 67 CO 0.80 -0.78 0.15 0.59 0.23 0.00 0.00 176.35 177.34 2e8m n ASN 68 N 6.07 0.17 0.31 2.29 3.02 -1.26 -4.70 115.26 121.16 2e8m n ASN 68 Ca 0.14 -1.15 0.19 0.00 -0.03 0.00 0.00 54.58 53.74 2e8m n ASN 68 Cb 0.44 -0.10 1.06 0.00 -0.61 0.00 0.00 39.78 40.57 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 -0.43 116.57 121.35 2e8m h LYS 69 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2e8m h LYS 69 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2e8m h LYS 69 CO 0.05 0.00 -0.22 0.22 -2.27 0.00 0.00 179.45 177.23 2e8m h ASP 70 N 0.00 0.00 -0.89 4.20 1.82 -1.95 -2.91 116.42 116.69 2e8m h ASP 70 Ca 0.01 0.00 0.16 0.00 -0.39 0.00 0.00 57.03 56.81 2e8m h ASP 70 Cb 0.13 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 40.04 2e8m h ASP 70 CO -0.00 0.56 0.47 -0.33 -1.61 0.00 0.00 179.24 178.33 2e8m h GLU 71 N -0.90 0.63 0.00 0.28 5.08 -1.87 0.34 114.58 118.14 2e8m h GLU 71 Ca 0.00 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2e8m h GLU 71 Cb 0.22 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2e8m h GLU 71 CO 0.00 0.42 -0.44 -0.07 -1.00 0.00 0.00 179.01 177.92 2e8m h LEU 72 N 0.65 0.00 0.00 1.33 3.38 -1.25 -2.53 115.31 116.89 2e8m h LEU 72 Ca 0.49 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.39 2e8m h LEU 72 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2e8m h LEU 72 CO -0.37 0.44 -0.44 -0.09 0.09 0.00 0.00 178.44 178.07 2e8m h ARG 73 N 0.00 0.00 0.00 1.13 2.43 -0.36 -2.87 114.38 114.71 2e8m h ARG 73 Ca -0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 2e8m h ARG 73 Cb 0.90 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 2e8m h ARG 73 CO 0.06 0.31 -0.99 1.79 -1.51 0.00 0.00 179.97 179.64 2e8m h THR 74 N 0.00 1.39 0.09 0.20 1.35 -0.26 -3.31 112.91 112.37 2e8m h THR 74 Ca -0.01 -3.03 -0.27 0.00 -0.55 0.00 0.00 66.41 62.55 2e8m h THR 74 Cb 1.27 2.68 -0.01 0.00 -1.73 0.00 0.00 68.15 70.36 2e8m h THR 74 CO 0.04 0.79 -1.26 1.62 -0.25 0.00 0.00 175.52 176.46 2e8m h VAL 75 N 0.00 1.46 -3.41 6.82 3.04 -1.50 -3.48 116.25 119.18 2e8m h VAL 75 Ca -0.04 -3.08 -0.06 0.00 -1.01 0.00 0.00 66.70 62.51 2e8m h VAL 75 Cb 1.70 2.87 -0.13 0.00 -2.01 0.00 0.00 31.29 33.72 2e8m h VAL 75 CO 0.11 0.88 -0.12 0.00 -1.01 0.00 0.00 177.57 177.43 2e8m h PRO 77 N 2.49 0.00 -0.90 0.00 0.13 -1.84 -2.80 132.00 129.08 2e8m h PRO 77 Ca -0.34 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.53 2e8m h PRO 77 Cb 1.24 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.21 2e8m h PRO 77 CO 0.48 0.16 0.34 0.39 -0.23 0.00 0.00 178.00 179.13 2e8m n GLU 78 N -3.37 2.56 0.26 0.86 -0.58 -1.26 -4.52 120.64 114.59 2e8m n GLU 78 Ca -0.00 -2.28 -0.15 0.00 -0.42 0.00 0.00 57.16 54.31 2e8m n GLU 78 Cb 0.36 -1.94 -0.08 0.00 -0.57 0.00 0.00 31.44 29.21 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 2.55 -0.71 0.32 0.62 0.00 -1.52 -1.37 103.07 102.96 2e8m h GLY 79 Ca 0.33 0.26 0.24 0.00 0.00 0.00 0.00 47.33 48.16 2e8m h GLY 79 CO 0.68 -0.26 0.61 0.00 0.00 0.00 0.00 176.54 177.57 2e8m h ALA 80 N -0.60 2.77 0.01 3.60 0.00 -1.79 0.35 119.26 123.61 2e8m h ALA 80 Ca -0.07 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2e8m h ALA 80 Cb 0.61 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.47 2e8m h ALA 80 CO 0.11 -1.03 -0.51 0.00 0.00 0.00 0.00 179.25 177.82 2e8m h ARG 81 N 0.00 0.32 -0.19 0.00 3.08 -1.83 -3.08 114.38 112.67 2e8m h ARG 81 Ca 0.39 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2e8m h ARG 81 Cb 1.60 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.75 2e8m h ARG 81 CO -0.00 1.07 0.09 0.28 -1.07 0.00 0.00 179.97 180.33 2e8m h VAL 82 N -0.27 1.14 -0.82 2.04 2.07 0.12 -2.85 116.25 117.68 2e8m h VAL 82 Ca -0.07 -0.41 0.11 0.00 0.82 0.00 0.00 66.70 67.16 2e8m h VAL 82 Cb 1.26 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 32.00 2e8m h VAL 82 CO 0.10 0.13 0.45 0.22 0.02 0.00 0.00 177.57 178.49 2e8m h TYR 83 N 0.18 0.80 0.00 1.57 3.20 -1.13 0.29 116.97 121.87 2e8m h TYR 83 Ca 0.07 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2e8m h TYR 83 Cb 0.13 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 2e8m h TYR 83 CO -0.02 0.28 -0.01 1.03 -1.64 0.00 0.00 178.16 177.80 2e8m h SER 84 N 0.71 0.00 0.63 -2.11 0.87 -1.41 0.59 113.55 112.83 2e8m h SER 84 Ca 0.42 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.94 2e8m h SER 84 Cb 0.46 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2e8m h SER 84 CO -0.29 0.01 -1.40 0.00 -0.53 0.00 0.00 176.83 174.62 2e8m n GLN 85 N -3.21 0.63 0.02 2.24 1.13 0.87 -4.19 117.38 114.86 2e8m n GLN 85 Ca -0.02 0.04 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 2e8m n GLN 85 Cb 0.13 -1.72 -0.14 0.00 0.11 0.00 0.00 30.24 28.62 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 1.01 -0.91 5.09 2.04 0.29 -3.35 117.51 121.68 2e8m h ILE 86 Ca -0.04 -2.76 0.15 0.00 1.00 0.00 0.00 64.86 63.20 2e8m h ILE 86 Cb 1.13 2.59 -0.07 0.00 -0.74 0.00 0.00 36.82 39.72 2e8m h ILE 86 CO 0.01 0.72 0.58 0.00 0.00 0.00 0.00 178.15 179.46 2e8m h THR 87 N 0.03 0.83 0.00 -0.27 1.03 -1.11 0.27 112.91 113.68 2e8m h THR 87 Ca -0.26 -0.24 -0.04 0.00 -0.01 0.00 0.00 66.41 65.85 2e8m h THR 87 Cb 1.99 0.05 -0.01 0.00 -1.07 0.00 0.00 68.15 69.11 2e8m h THR 87 CO 0.11 0.13 -0.21 1.62 -0.01 0.00 0.00 175.52 177.17 2e8m h VAL 88 N 0.71 0.62 0.03 0.00 3.04 -1.75 -2.33 116.25 116.57 2e8m h VAL 88 Ca 0.46 -0.94 -0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2e8m h VAL 88 Cb 0.73 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 2e8m h VAL 88 CO -0.22 0.20 -0.01 1.56 -1.01 0.00 0.00 177.57 178.09 2e8m h GLN 89 N 0.00 -0.03 -0.81 4.17 1.08 -0.66 -3.17 115.11 115.68 2e8m h GLN 89 Ca -0.00 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.27 2e8m h GLN 89 Cb 0.60 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.97 2e8m h GLN 89 CO 0.03 0.59 0.48 0.87 -0.95 0.00 0.00 178.83 179.84 2e8m h LYS 90 N -0.96 0.82 0.00 1.46 1.57 -1.31 0.02 116.57 118.17 2e8m h LYS 90 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2e8m h LYS 90 Cb 0.64 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2e8m h LYS 90 CO 0.01 0.54 -0.02 0.00 -0.57 0.00 0.00 179.45 179.41 2e8m h ALA 91 N 1.42 1.70 0.00 3.86 0.00 -1.54 0.91 119.26 125.61 2e8m h ALA 91 Ca 0.37 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 2e8m h ALA 91 Cb 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2e8m h ALA 91 CO -0.20 0.02 -0.40 0.00 0.00 0.00 0.00 179.25 178.67 2e8m h ALA 92 N 1.98 0.93 0.00 0.00 0.00 -0.96 -3.21 119.26 118.00 2e8m h ALA 92 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2e8m h ALA 92 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2e8m h ALA 92 CO 0.00 0.49 -0.81 1.28 0.00 0.00 0.00 179.25 180.22 2e8m n LEU 93 N -3.47 1.84 -3.61 0.00 4.77 -0.26 -4.88 117.00 111.39 2e8m n LEU 93 Ca 0.00 0.54 -0.29 0.00 -0.03 0.00 0.00 56.01 56.23 2e8m n LEU 93 Cb 0.55 -0.87 -0.14 0.00 -2.33 0.00 0.00 43.42 40.63 2e8m n LEU 93 CO 0.37 -0.27 -0.32 -0.94 -1.33 0.00 0.00 177.39 174.91 2e8m s SER 94 N -6.03 3.59 0.00 -1.43 1.04 0.15 -5.05 113.70 105.98 2e8m s SER 94 Ca -0.20 -1.75 0.00 0.00 0.48 0.00 0.00 55.95 54.47 2e8m s SER 94 Cb 0.04 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.55 2e8m s SER 94 CO 0.33 -0.38 0.89 0.61 0.98 0.00 0.00 173.24 175.66 2e8m n GLY 95 N 4.66 -2.83 3.77 7.32 0.00 -1.21 -4.47 105.19 112.43 2e8m n GLY 95 Ca 0.01 0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.55 3.14 0.21 1.61 0.04 -1.26 -4.87 135.00 131.32 2e8m s PRO 96 Ca 0.00 1.52 -0.22 0.00 0.04 0.00 0.00 61.00 62.34 2e8m s PRO 96 Cb 0.00 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.63 2e8m s PRO 96 CO 0.00 -1.01 0.98 -1.54 0.04 0.00 0.00 177.00 175.48 2e8m s SER 97 N -2.11 -0.03 -0.14 6.66 1.04 -1.26 -5.15 113.70 112.72 2e8m s SER 97 Ca 0.70 -0.71 -0.06 0.00 0.48 0.00 0.00 55.95 56.37 2e8m s SER 97 Cb -0.22 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.52 2e8m s SER 97 CO 0.33 -1.09 0.30 -0.55 0.98 0.00 0.00 173.24 173.20 2e8m s SER 98 N -3.28 -0.01 0.00 7.02 0.15 -1.26 -5.29 113.70 111.03 2e8m s SER 98 Ca 0.19 0.67 0.14 0.00 0.70 0.00 0.00 55.95 57.65 2e8m s SER 98 Cb -0.03 0.73 0.11 0.00 -1.71 0.00 0.00 66.02 65.12 2e8m s SER 98 CO 0.06 -0.21 0.93 0.61 1.20 0.00 0.00 173.24 175.82