#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 -5.65 -3.30 1.61 7.64 -1.26 -4.97 113.62 107.69 2e8m n SER 2 Ca 0.00 -0.21 -0.13 0.00 1.01 0.00 0.00 58.87 59.54 2e8m n SER 2 Cb 0.00 -4.52 -0.04 0.00 -1.01 0.00 0.00 64.21 58.64 2e8m n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2e8m s SER 3 N -2.61 0.69 1.41 6.43 1.04 -1.26 -4.99 113.70 114.41 2e8m s SER 3 Ca 0.21 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.26 2e8m s SER 3 Cb -0.09 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2e8m s SER 3 CO 0.27 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2e8m n GLY 4 N -0.54 1.04 2.43 7.32 0.00 -1.26 -2.97 105.19 111.21 2e8m n GLY 4 Ca -0.00 0.39 -0.21 0.00 0.00 0.00 0.00 46.02 46.20 2e8m n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e8m n SER 5 N 10.05 2.02 -3.78 1.61 7.64 -1.26 -5.04 113.62 124.87 2e8m n SER 5 Ca 0.00 -3.22 -0.28 0.00 1.01 0.00 0.00 58.87 56.38 2e8m n SER 5 Cb 0.00 -0.60 -0.16 0.00 -1.01 0.00 0.00 64.21 62.43 2e8m n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2e8m s SER 6 N -2.72 3.01 -0.44 6.43 0.01 -1.16 -5.10 113.70 113.74 2e8m s SER 6 Ca 0.43 -0.84 -0.28 0.00 1.31 0.00 0.00 55.95 56.56 2e8m s SER 6 Cb 0.32 -0.70 0.01 0.00 0.21 0.00 0.00 66.02 65.85 2e8m s SER 6 CO -0.10 -0.28 1.47 -0.83 0.41 0.00 0.00 173.24 173.91 2e8m s GLY 7 N 1.78 0.99 0.82 3.44 0.00 -1.26 -4.50 107.32 108.59 2e8m s GLY 7 Ca -0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 44.72 44.34 2e8m s GLY 7 CO -0.08 2.85 0.57 -1.30 0.00 0.00 0.00 173.10 175.15 2e8m n THR 8 N 7.09 1.17 -1.92 0.90 -2.24 -1.26 -4.95 114.28 113.07 2e8m n THR 8 Ca 0.17 -0.30 0.02 0.00 -2.27 0.00 0.00 64.05 61.67 2e8m n THR 8 Cb 0.48 -0.76 0.14 0.00 -2.10 0.00 0.00 70.33 68.09 2e8m n THR 8 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2e8m n ILE 9 N -2.95 1.65 0.00 2.28 -5.35 -1.26 -5.10 119.36 108.63 2e8m n ILE 9 Ca 0.09 -2.76 0.00 0.00 -0.27 0.00 0.00 62.75 59.81 2e8m n ILE 9 Cb 0.51 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 2e8m n ILE 9 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2e8m n GLY 10 N -0.65 -2.41 3.70 3.28 0.00 -1.26 -4.87 105.19 102.97 2e8m n GLY 10 Ca 0.18 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.76 4.19 -0.05 1.61 0.52 -1.26 -4.87 118.95 115.33 2e8m s ARG 11 Ca 0.00 2.39 0.02 0.00 -0.52 0.00 0.00 55.73 57.62 2e8m s ARG 11 Cb 0.00 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 2e8m s ARG 11 CO 0.00 -0.71 -0.02 0.43 0.02 0.00 0.00 175.30 175.02 2e8m n SER 12 N 5.00 3.79 0.00 0.23 7.64 -1.26 -5.03 113.62 123.99 2e8m n SER 12 Ca 0.15 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2e8m n SER 12 Cb 0.39 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2e8m n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2e8m n ALA 13 N -2.43 0.00 -3.13 -0.43 0.00 -1.26 -4.71 120.51 108.55 2e8m n ALA 13 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 2e8m n ALA 13 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2e8m n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e8m n ALA 14 N 0.39 -0.25 -2.74 0.00 0.00 -1.26 -5.17 120.51 111.48 2e8m n ALA 14 Ca 0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 53.44 52.95 2e8m n ALA 14 Cb 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.03 3.54 0.76 0.00 -2.07 -1.26 -4.98 119.66 113.62 2e8m s GLN 15 Ca 0.03 -0.29 0.00 0.00 -1.82 0.00 0.00 55.36 53.28 2e8m s GLN 15 Cb -0.01 -2.82 0.00 0.00 -1.09 0.00 0.00 33.01 29.09 2e8m s GLN 15 CO 0.02 0.39 0.00 1.63 -1.32 0.00 0.00 175.29 176.01 2e8m n LYS 16 N -0.62 -1.59 -3.17 9.60 5.02 -1.26 -4.94 118.16 121.19 2e8m n LYS 16 Ca -0.04 1.05 -0.07 0.00 -2.02 0.00 0.00 58.31 57.22 2e8m n LYS 16 Cb 0.54 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 2e8m n LYS 16 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2e8m n LYS 17 N -2.94 -1.56 -5.08 1.97 5.02 -1.26 -5.02 118.16 109.29 2e8m n LYS 17 Ca 0.01 1.47 -0.32 0.00 -2.02 0.00 0.00 58.31 57.45 2e8m n LYS 17 Cb 0.36 -4.98 -0.14 0.00 -0.02 0.00 0.00 35.03 30.25 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 -2.87 2.52 -0.28 2.13 0.08 -1.26 -5.05 117.98 113.25 2e8m s PHE 18 Ca 0.06 -0.30 -0.25 0.00 0.12 0.00 0.00 56.93 56.57 2e8m s PHE 18 Cb -0.01 -1.56 0.13 0.00 -0.57 0.00 0.00 43.02 41.00 2e8m s PHE 18 CO 0.78 0.08 1.05 -1.58 -0.10 0.00 0.00 175.22 175.45 2e8m s HIS 19 N -0.68 -0.46 0.20 0.36 2.46 -1.26 -5.18 115.29 110.73 2e8m s HIS 19 Ca 0.11 1.12 0.09 0.00 0.47 0.00 0.00 55.06 56.84 2e8m s HIS 19 Cb -0.10 0.37 -0.04 0.00 -0.13 0.00 0.00 32.58 32.67 2e8m s HIS 19 CO -0.00 -0.22 -0.07 0.14 -2.47 0.00 0.00 174.74 172.12 2e8m s VAL 20 N 0.27 3.28 0.84 0.89 -7.23 -1.26 -5.13 120.40 112.06 2e8m s VAL 20 Ca 0.03 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 2e8m s VAL 20 Cb -0.05 -2.66 0.10 0.00 0.56 0.00 0.00 36.38 34.33 2e8m s VAL 20 CO -0.07 -0.18 1.09 -2.16 -0.31 0.00 0.00 175.10 173.47 2e8m s PRO 21 N -3.05 1.68 0.34 4.82 0.04 -1.26 -4.96 135.00 132.61 2e8m s PRO 21 Ca 0.27 0.97 -0.29 0.00 0.04 0.00 0.00 61.00 61.99 2e8m s PRO 21 Cb -0.08 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.50 2e8m s PRO 21 CO 0.17 -1.99 1.48 -2.13 0.04 0.00 0.00 177.00 174.57 2e8m n ARG 22 N -3.73 2.56 -3.80 4.56 0.63 -1.26 -4.98 116.66 110.63 2e8m n ARG 22 Ca 0.08 0.90 -0.36 0.00 -0.92 0.00 0.00 57.85 57.55 2e8m n ARG 22 Cb 0.54 -2.62 -0.13 0.00 0.45 0.00 0.00 32.46 30.70 2e8m n ARG 22 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2e8m s GLN 23 N -1.49 3.37 -0.20 -0.14 -0.21 -1.26 -5.07 119.66 114.66 2e8m s GLN 23 Ca 0.58 -0.66 -0.29 0.00 0.02 0.00 0.00 55.36 55.01 2e8m s GLN 23 Cb -0.51 -3.25 -0.01 0.00 1.00 0.00 0.00 33.01 30.24 2e8m s GLN 23 CO 0.58 -0.28 1.24 -0.80 -2.12 0.00 0.00 175.29 173.91 2e8m s ASN 24 N 1.53 6.92 0.12 5.90 0.01 -1.26 -5.02 114.94 123.14 2e8m s ASN 24 Ca 0.05 1.57 0.08 0.00 -0.71 0.00 0.00 52.86 53.85 2e8m s ASN 24 Cb -0.16 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 2e8m s ASN 24 CO 0.01 -0.80 -0.19 0.68 -1.51 0.00 0.00 177.10 175.29 2e8m s VAL 25 N 3.61 1.67 0.87 1.60 -7.23 -1.26 -5.15 120.40 114.52 2e8m s VAL 25 Ca 0.54 -1.65 -0.11 0.00 -1.81 0.00 0.00 61.98 58.94 2e8m s VAL 25 Cb -0.20 -1.61 0.11 0.00 0.56 0.00 0.00 36.38 35.25 2e8m s VAL 25 CO 0.15 -0.17 1.09 -2.16 -0.31 0.00 0.00 175.10 173.70 2e8m s PRO 26 N -2.22 1.48 0.26 4.82 0.04 -1.26 -4.99 135.00 133.14 2e8m s PRO 26 Ca 0.09 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 2e8m s PRO 26 Cb -0.08 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 2e8m s PRO 26 CO 0.05 -2.10 1.24 0.54 0.04 0.00 0.00 177.00 176.77 2e8m s VAL 27 N -2.93 3.16 -0.02 -0.36 0.11 -1.26 -5.03 120.40 114.07 2e8m s VAL 27 Ca 0.63 1.07 0.03 0.00 -2.93 0.00 0.00 61.98 60.77 2e8m s VAL 27 Cb -0.18 -3.68 -0.03 0.00 -1.53 0.00 0.00 36.38 30.96 2e8m s VAL 27 CO 0.57 0.22 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.84 2e8m s ILE 28 N -0.63 3.55 0.05 7.04 -1.09 -1.26 -5.12 121.20 123.74 2e8m s ILE 28 Ca 0.51 -0.72 -0.17 0.00 -2.23 0.00 0.00 60.65 58.04 2e8m s ILE 28 Cb -0.36 -2.50 0.03 0.00 -1.58 0.00 0.00 42.46 38.05 2e8m s ILE 28 CO 0.43 0.46 0.38 0.20 -1.23 0.00 0.00 174.94 175.19 2e8m s ASN 29 N -1.19 -0.23 0.12 3.58 -0.87 -1.26 -5.00 114.94 110.09 2e8m s ASN 29 Ca 0.15 -0.09 0.05 0.00 -1.57 0.00 0.00 52.86 51.40 2e8m s ASN 29 Cb -0.11 0.41 -0.04 0.00 -0.02 0.00 0.00 41.25 41.49 2e8m s ASN 29 CO 0.05 -0.67 -0.12 0.27 -2.57 0.00 0.00 177.10 174.06 2e8m s ILE 30 N -2.65 1.18 0.38 0.60 -4.36 -1.26 -4.99 121.20 110.10 2e8m s ILE 30 Ca -0.04 -1.80 0.05 0.00 -0.26 0.00 0.00 60.65 58.60 2e8m s ILE 30 Cb -0.00 -1.58 -0.03 0.00 1.25 0.00 0.00 42.46 42.10 2e8m s ILE 30 CO -0.04 -0.56 0.18 0.42 0.24 0.00 0.00 174.94 175.18 2e8m s THR 31 N -2.58 0.38 0.19 8.37 -4.23 -1.26 -4.89 115.64 111.63 2e8m s THR 31 Ca 0.10 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 58.96 2e8m s THR 31 Cb -0.02 -2.39 0.37 0.00 1.34 0.00 0.00 72.50 71.80 2e8m s THR 31 CO 0.02 0.00 2.05 1.88 -0.54 0.00 0.00 174.62 178.02 2e8m h TYR 32 N 1.91 0.00 -0.66 3.99 0.05 -1.95 -2.29 116.97 118.02 2e8m h TYR 32 Ca -0.32 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.01 2e8m h TYR 32 Cb 1.26 0.00 -0.30 0.00 1.01 0.00 0.00 36.73 38.70 2e8m h TYR 32 CO 1.56 0.00 -0.33 -3.47 -1.05 0.00 0.00 178.16 174.87 2e8m n ASP 33 N -2.86 4.67 -4.98 3.88 2.03 -1.26 -3.01 116.55 115.03 2e8m n ASP 33 Ca -0.01 -3.78 -0.20 0.00 0.52 0.00 0.00 54.79 51.32 2e8m n ASP 33 Cb 0.17 -0.53 0.02 0.00 -0.72 0.00 0.00 41.12 40.06 2e8m n ASP 33 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2e8m s SER 34 N -3.03 5.50 0.25 1.67 0.01 -0.86 -4.98 113.70 112.24 2e8m s SER 34 Ca 0.51 -0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.70 2e8m s SER 34 Cb 0.42 -0.97 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 2e8m s SER 34 CO 0.01 -0.94 0.45 0.42 0.41 0.00 0.00 173.24 173.60 2e8m s THR 35 N -2.60 5.14 -1.19 1.44 -4.23 -1.26 -2.98 115.64 109.96 2e8m s THR 35 Ca 0.54 -0.28 0.14 0.00 -1.18 0.00 0.00 61.69 60.91 2e8m s THR 35 Cb -0.10 -3.75 0.18 0.00 1.34 0.00 0.00 72.50 70.16 2e8m s THR 35 CO 0.37 -0.27 1.43 -0.81 -0.54 0.00 0.00 174.62 174.80 2e8m n PRO 36 N -0.91 0.09 -0.00 3.99 -0.04 -1.26 -2.25 135.00 134.62 2e8m n PRO 36 Ca -0.04 0.21 0.02 0.00 -0.04 0.00 0.00 63.50 63.64 2e8m n PRO 36 Cb 0.54 -1.50 -0.12 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 -1.40 0.65 0.08 0.54 2.13 -1.26 -4.06 120.64 117.32 2e8m n GLU 37 Ca 0.05 0.05 -0.03 0.00 0.66 0.00 0.00 57.16 57.88 2e8m n GLU 37 Cb 0.14 -1.67 -0.07 0.00 0.27 0.00 0.00 31.44 30.12 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 0.00 0.25 4.31 5.19 -1.83 -3.27 116.42 121.07 2e8m h ASP 38 Ca -0.20 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.11 2e8m h ASP 38 Cb 1.54 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.03 2e8m h ASP 38 CO 0.03 0.80 -0.39 0.58 -3.12 0.00 0.00 179.24 177.14 2e8m h VAL 39 N 0.00 1.30 -0.88 -1.35 2.07 -1.70 -2.37 116.25 113.32 2e8m h VAL 39 Ca -0.03 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 2e8m h VAL 39 Cb 1.64 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 33.02 2e8m h VAL 39 CO 0.10 0.43 0.52 0.50 0.02 0.00 0.00 177.57 179.14 2e8m h LYS 40 N 0.17 1.21 0.00 1.57 3.64 -1.71 -2.01 116.57 119.44 2e8m h LYS 40 Ca 0.02 -0.12 -0.17 0.00 -1.27 0.00 0.00 60.65 59.11 2e8m h LYS 40 Cb 0.77 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2e8m h LYS 40 CO 0.06 0.86 -0.81 1.15 -2.27 0.00 0.00 179.45 178.44 2e8m h THR 41 N 1.22 1.54 -0.20 1.00 2.02 -1.65 -2.93 112.91 113.91 2e8m h THR 41 Ca 0.32 -2.81 -0.08 0.00 0.77 0.00 0.00 66.41 64.61 2e8m h THR 41 Cb -0.03 2.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 2e8m h THR 41 CO -0.06 0.79 -0.22 -0.25 0.37 0.00 0.00 175.52 176.16 2e8m h TRP 42 N 0.00 0.39 0.05 3.16 7.01 -0.91 -1.14 115.95 124.51 2e8m h TRP 42 Ca -0.01 -0.07 -0.20 0.00 2.11 0.00 0.00 58.89 60.72 2e8m h TRP 42 Cb 1.47 -0.10 0.02 0.00 -2.10 0.00 0.00 29.16 28.44 2e8m h TRP 42 CO 0.00 0.56 -0.82 -0.07 -2.79 0.00 0.00 178.44 175.32 2e8m h LEU 43 N 0.33 0.64 -0.29 0.65 3.38 -1.37 -3.18 115.31 115.46 2e8m h LEU 43 Ca 0.05 -0.81 -0.01 0.00 0.09 0.00 0.00 57.88 57.20 2e8m h LEU 43 Cb 0.57 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2e8m h LEU 43 CO 0.04 1.37 0.13 1.56 0.09 0.00 0.00 178.44 181.63 2e8m h GLN 44 N -0.02 0.43 -0.41 1.13 1.08 -1.41 -2.07 115.11 113.83 2e8m h GLN 44 Ca -0.12 -0.07 0.08 0.00 -1.45 0.00 0.00 58.65 57.10 2e8m h GLN 44 Cb 1.54 -0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 28.82 2e8m h GLN 44 CO 0.16 0.43 -0.09 1.03 -0.95 0.00 0.00 178.83 179.40 2e8m h SER 45 N 0.33 -0.36 -0.26 1.46 0.87 -1.31 0.11 113.55 114.37 2e8m h SER 45 Ca 0.10 0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.84 2e8m h SER 45 Cb 0.15 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2e8m h SER 45 CO -0.01 -0.13 0.19 0.11 -0.53 0.00 0.00 176.83 176.46 2e8m h LYS 46 N 0.01 0.09 0.00 2.24 1.79 -1.50 -3.46 116.57 115.74 2e8m h LYS 46 Ca 0.20 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2e8m h LYS 46 Cb 0.30 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2e8m h LYS 46 CO -0.42 0.06 0.00 0.41 -1.08 0.00 0.00 179.45 178.42 2e8m n GLY 47 N -1.56 1.72 3.83 3.86 0.00 0.37 -5.11 105.19 108.30 2e8m n GLY 47 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 3.58 0.80 1.61 0.08 -0.80 -5.03 117.98 116.22 2e8m s PHE 48 Ca 0.00 1.23 -0.15 0.00 0.12 0.00 0.00 56.93 58.13 2e8m s PHE 48 Cb 0.00 -2.51 -0.01 0.00 -0.57 0.00 0.00 43.02 39.94 2e8m s PHE 48 CO 0.00 0.33 0.57 0.27 -0.10 0.00 0.00 175.22 176.28 2e8m n ASN 49 N 0.55 -1.20 0.19 1.36 6.94 -1.26 -4.63 115.26 117.20 2e8m n ASN 49 Ca -0.02 0.52 0.05 0.00 -0.02 0.00 0.00 54.58 55.11 2e8m n ASN 49 Cb 0.52 -1.25 0.39 0.00 -2.36 0.00 0.00 39.78 37.08 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 -0.76 0.00 0.00 -0.53 0.13 -1.99 -2.81 132.00 126.05 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 0.36 -0.03 0.28 -0.23 0.00 0.00 178.00 178.78 2e8m h VAL 51 N 0.00 0.34 0.06 1.56 2.07 -2.00 -1.33 116.25 116.95 2e8m h VAL 51 Ca -0.00 -0.17 -0.35 0.00 0.82 0.00 0.00 66.70 66.99 2e8m h VAL 51 Cb 0.77 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 2e8m h VAL 51 CO 0.05 0.03 -1.98 0.41 0.02 0.00 0.00 177.57 176.10 2e8m n THR 52 N -3.51 1.64 0.30 2.57 -1.04 -1.07 -3.62 114.28 109.54 2e8m n THR 52 Ca -0.02 -0.46 0.18 0.00 -2.04 0.00 0.00 64.05 61.70 2e8m n THR 52 Cb 0.13 -1.76 0.95 0.00 -1.82 0.00 0.00 70.33 67.83 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 -0.31 0.27 0.23 12.58 2.07 -1.35 0.23 116.25 129.97 2e8m h VAL 53 Ca -0.47 -0.22 -0.34 0.00 0.82 0.00 0.00 66.70 66.48 2e8m h VAL 53 Cb 1.79 1.17 0.03 0.00 -1.52 0.00 0.00 31.29 32.76 2e8m h VAL 53 CO -0.07 0.03 -1.59 0.78 0.02 0.00 0.00 177.57 176.75 2e8m h ASN 54 N 0.00 0.77 0.04 0.57 2.35 -1.41 -2.04 115.58 115.85 2e8m h ASN 54 Ca -0.00 -0.92 -0.15 0.00 -0.55 0.00 0.00 56.30 54.68 2e8m h ASN 54 Cb 0.17 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 38.30 2e8m h ASN 54 CO 0.00 1.74 -0.62 -1.28 -1.65 0.00 0.00 177.43 175.63 2e8m h SER 55 N 0.13 0.48 -0.42 5.81 0.87 -1.49 -3.25 113.55 115.68 2e8m h SER 55 Ca -0.29 -0.82 -0.01 0.00 -1.23 0.00 0.00 61.79 59.44 2e8m h SER 55 Cb 2.15 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.95 2e8m h SER 55 CO 0.24 1.24 0.02 0.18 -0.53 0.00 0.00 176.83 177.98 2e8m n LEU 56 N -4.22 4.46 -1.32 2.23 4.77 0.76 -4.06 117.00 119.62 2e8m n LEU 56 Ca -0.11 -2.27 0.12 0.00 -0.03 0.00 0.00 56.01 53.72 2e8m n LEU 56 Cb 0.70 -0.64 0.31 0.00 -2.33 0.00 0.00 43.42 41.45 2e8m n LEU 56 CO 0.46 0.53 0.76 0.61 -1.33 0.00 0.00 177.39 178.43 2e8m n GLY 57 N 0.41 2.41 0.00 -0.72 0.00 -0.77 -4.18 105.19 102.33 2e8m n GLY 57 Ca 0.21 -0.78 0.02 0.00 0.00 0.00 0.00 46.02 45.46 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 1.62 0.00 -3.37 1.61 0.24 -1.26 -4.55 118.33 112.62 2e8m n VAL 58 Ca 0.24 -0.16 -0.38 0.00 -2.04 0.00 0.00 64.34 61.99 2e8m n VAL 58 Cb 0.62 0.58 -0.06 0.00 -1.47 0.00 0.00 33.84 33.51 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 -2.93 4.45 0.87 1.34 1.43 -1.26 -4.72 118.68 117.86 2e8m s LEU 59 Ca -0.01 1.05 -0.12 0.00 -1.03 0.00 0.00 54.13 54.02 2e8m s LEU 59 Cb 0.02 -2.73 0.11 0.00 0.03 0.00 0.00 46.19 43.62 2e8m s LEU 59 CO 0.13 0.23 1.10 0.54 0.23 0.00 0.00 176.35 178.58 2e8m s ASN 60 N -0.71 3.81 0.34 2.29 2.20 -1.26 -4.22 114.94 117.40 2e8m s ASN 60 Ca 0.26 1.32 0.10 0.00 -0.94 0.00 0.00 52.86 53.60 2e8m s ASN 60 Cb -0.17 -2.01 0.86 0.00 -2.00 0.00 0.00 41.25 37.92 2e8m s ASN 60 CO 0.15 -2.40 1.80 1.23 -2.94 0.00 0.00 177.10 174.94 2e8m h GLY 61 N -1.39 1.47 1.01 0.45 0.00 -1.67 0.01 103.07 102.95 2e8m h GLY 61 Ca -0.49 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.51 2e8m h GLY 61 CO 0.58 -0.04 -0.29 0.00 0.00 0.00 0.00 176.54 176.79 2e8m h ALA 62 N 1.63 -0.80 -0.17 3.60 0.00 -1.61 0.10 119.26 122.01 2e8m h ALA 62 Ca 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2e8m h ALA 62 Cb 1.00 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2e8m h ALA 62 CO -0.31 -0.95 0.11 1.96 0.00 0.00 0.00 179.25 180.07 2e8m h GLN 63 N -0.80 0.23 -0.74 0.00 1.08 -1.69 -2.32 115.11 110.86 2e8m h GLN 63 Ca -0.08 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.16 2e8m h GLN 63 Cb 0.62 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.95 2e8m h GLN 63 CO 0.13 0.15 0.49 1.25 -0.95 0.00 0.00 178.83 179.90 2e8m h LEU 64 N 0.23 0.72 -1.74 1.46 6.46 -0.96 0.50 115.31 121.98 2e8m h LEU 64 Ca 0.06 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 2e8m h LEU 64 Cb -0.02 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.74 2e8m h LEU 64 CO -0.02 0.48 -0.06 -0.26 -0.62 0.00 0.00 178.44 177.97 2e8m h PHE 65 N 0.83 0.00 0.00 1.25 -1.00 -0.26 -2.43 116.94 115.33 2e8m h PHE 65 Ca 0.31 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.91 2e8m h PHE 65 Cb 0.16 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.70 2e8m h PHE 65 CO -0.00 0.06 -0.94 1.03 -1.61 0.00 0.00 178.31 176.85 2e8m h SER 66 N 0.00 0.00 -2.77 2.17 0.87 -0.48 -3.45 113.55 109.89 2e8m h SER 66 Ca -0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 2e8m h SER 66 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2e8m h SER 66 CO 0.01 0.82 0.95 -0.76 -0.53 0.00 0.00 176.83 177.32 2e8m s LEU 67 N -6.52 4.33 0.00 2.23 1.43 -0.92 -5.01 118.68 114.22 2e8m s LEU 67 Ca 0.01 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 2e8m s LEU 67 Cb 0.09 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.81 2e8m s LEU 67 CO 0.80 -0.82 0.35 0.59 0.23 0.00 0.00 176.35 177.50 2e8m n ASN 68 N 5.89 0.52 0.32 2.29 3.02 -1.26 -4.75 115.26 121.29 2e8m n ASN 68 Ca 0.15 -1.43 0.20 0.00 -0.03 0.00 0.00 54.58 53.47 2e8m n ASN 68 Cb 0.42 -0.22 1.08 0.00 -0.61 0.00 0.00 39.78 40.45 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 -0.50 116.57 121.28 2e8m h LYS 69 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2e8m h LYS 69 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2e8m h LYS 69 CO 0.13 0.00 -0.19 0.22 -2.27 0.00 0.00 179.45 177.34 2e8m h ASP 70 N 0.00 0.00 -0.81 4.20 3.58 -1.95 -2.90 116.42 118.55 2e8m h ASP 70 Ca 0.01 0.00 0.14 0.00 0.42 0.00 0.00 57.03 57.60 2e8m h ASP 70 Cb 0.12 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.08 2e8m h ASP 70 CO -0.00 0.53 0.38 -0.33 -2.88 0.00 0.00 179.24 176.94 2e8m h GLU 71 N -0.86 0.53 -0.05 0.28 4.39 -1.88 0.16 114.58 117.15 2e8m h GLU 71 Ca 0.00 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 2e8m h GLU 71 Cb 0.19 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2e8m h GLU 71 CO 0.00 0.35 -0.42 -0.07 -1.16 0.00 0.00 179.01 177.71 2e8m h LEU 72 N 0.55 0.12 -0.81 1.33 3.38 -1.27 -2.23 115.31 116.37 2e8m h LEU 72 Ca 0.44 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.32 2e8m h LEU 72 Cb 0.64 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2e8m h LEU 72 CO -0.38 0.53 -0.20 -0.09 0.09 0.00 0.00 178.44 178.40 2e8m h ARG 73 N 0.10 0.00 0.06 1.13 2.43 -0.55 -2.40 114.38 115.15 2e8m h ARG 73 Ca 0.01 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 2e8m h ARG 73 Cb 0.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2e8m h ARG 73 CO 0.06 0.20 -0.58 1.79 -1.51 0.00 0.00 179.97 179.92 2e8m h THR 74 N 0.00 1.50 -0.47 0.20 1.35 -0.64 -3.35 112.91 111.50 2e8m h THR 74 Ca -0.00 -2.39 -0.06 0.00 -0.55 0.00 0.00 66.41 63.41 2e8m h THR 74 Cb 0.85 3.10 -0.02 0.00 -1.73 0.00 0.00 68.15 70.35 2e8m h THR 74 CO 0.03 0.61 0.06 1.62 -0.25 0.00 0.00 175.52 177.59 2e8m h VAL 75 N -0.73 1.22 -3.54 6.82 3.04 -1.46 -3.45 116.25 118.16 2e8m h VAL 75 Ca -0.13 -0.85 -0.11 0.00 -1.01 0.00 0.00 66.70 64.60 2e8m h VAL 75 Cb 1.32 0.80 -0.17 0.00 -2.01 0.00 0.00 31.29 31.23 2e8m h VAL 75 CO 0.02 0.31 -0.39 0.00 -1.01 0.00 0.00 177.57 176.50 2e8m h PRO 77 N 3.48 0.00 -0.83 0.00 0.13 -1.82 -2.73 132.00 130.23 2e8m h PRO 77 Ca -0.32 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.61 2e8m h PRO 77 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 2e8m h PRO 77 CO 0.48 0.04 0.25 0.39 -0.23 0.00 0.00 178.00 178.93 2e8m n GLU 78 N -3.17 3.04 0.37 0.86 -0.58 -1.26 -4.58 120.64 115.32 2e8m n GLU 78 Ca 0.00 -2.39 -0.19 0.00 -0.42 0.00 0.00 57.16 54.16 2e8m n GLU 78 Cb 0.31 -2.01 -0.10 0.00 -0.57 0.00 0.00 31.44 29.07 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 3.00 -1.31 0.39 0.62 0.00 -1.50 0.16 103.07 104.44 2e8m h GLY 79 Ca 0.24 0.57 0.23 0.00 0.00 0.00 0.00 47.33 48.36 2e8m h GLY 79 CO 0.62 -0.42 0.58 0.00 0.00 0.00 0.00 176.54 177.32 2e8m h ALA 80 N -1.08 2.72 0.08 3.60 0.00 -1.81 0.33 119.26 123.11 2e8m h ALA 80 Ca -0.09 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.54 2e8m h ALA 80 Cb 0.92 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2e8m h ALA 80 CO 0.03 -0.99 -1.13 0.00 0.00 0.00 0.00 179.25 177.16 2e8m h ARG 81 N 0.00 0.25 -0.00 0.00 2.47 -1.70 -3.09 114.38 112.31 2e8m h ARG 81 Ca 0.37 -0.38 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 2e8m h ARG 81 Cb 1.54 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.99 2e8m h ARG 81 CO -0.00 1.15 -0.09 0.28 0.56 0.00 0.00 179.97 181.86 2e8m h VAL 82 N 0.09 1.60 -0.80 2.04 2.07 0.24 -3.26 116.25 118.24 2e8m h VAL 82 Ca -0.10 -1.90 0.12 0.00 0.82 0.00 0.00 66.70 65.64 2e8m h VAL 82 Cb 1.84 2.86 -0.08 0.00 -1.52 0.00 0.00 31.29 34.38 2e8m h VAL 82 CO 0.18 0.50 0.41 0.22 0.02 0.00 0.00 177.57 178.90 2e8m h TYR 83 N -0.69 0.72 0.00 1.57 3.20 -0.75 0.28 116.97 121.31 2e8m h TYR 83 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2e8m h TYR 83 Cb 0.87 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 2e8m h TYR 83 CO 0.20 0.22 -0.00 1.03 -1.64 0.00 0.00 178.16 177.97 2e8m h SER 84 N 0.64 0.00 0.76 -2.11 0.87 -1.62 0.27 113.55 112.35 2e8m h SER 84 Ca 0.41 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.87 2e8m h SER 84 Cb 0.51 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2e8m h SER 84 CO -0.31 0.00 -1.32 0.00 -0.53 0.00 0.00 176.83 174.67 2e8m n GLN 85 N -3.51 0.62 0.00 2.24 1.13 0.85 -4.09 117.38 114.63 2e8m n GLN 85 Ca -0.03 0.16 -0.07 0.00 -1.94 0.00 0.00 57.00 55.12 2e8m n GLN 85 Cb 0.08 -1.79 -0.13 0.00 0.11 0.00 0.00 30.24 28.50 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 1.00 -0.61 5.09 2.04 0.18 -3.34 117.51 121.86 2e8m h ILE 86 Ca -0.11 -2.79 0.08 0.00 1.00 0.00 0.00 64.86 63.05 2e8m h ILE 86 Cb 1.36 2.48 -0.04 0.00 -0.74 0.00 0.00 36.82 39.88 2e8m h ILE 86 CO 0.03 0.57 0.41 0.00 0.00 0.00 0.00 178.15 179.15 2e8m h THR 87 N 0.00 0.95 0.00 -0.27 1.03 -0.70 0.61 112.91 114.53 2e8m h THR 87 Ca -0.21 -0.18 -0.07 0.00 -0.01 0.00 0.00 66.41 65.95 2e8m h THR 87 Cb 1.91 0.39 -0.01 0.00 -1.07 0.00 0.00 68.15 69.37 2e8m h THR 87 CO 0.09 0.09 -0.31 1.62 -0.01 0.00 0.00 175.52 177.00 2e8m h VAL 88 N 0.52 0.74 0.06 0.00 3.04 -1.74 -2.26 116.25 116.62 2e8m h VAL 88 Ca 0.27 -1.37 -0.16 0.00 -1.01 0.00 0.00 66.70 64.43 2e8m h VAL 88 Cb 0.40 1.88 0.02 0.00 -2.01 0.00 0.00 31.29 31.57 2e8m h VAL 88 CO -0.08 0.31 -0.66 1.56 -1.01 0.00 0.00 177.57 177.68 2e8m h GLN 89 N 0.00 0.34 -0.61 4.17 1.08 -1.06 -3.16 115.11 115.87 2e8m h GLN 89 Ca -0.00 -0.45 -0.09 0.00 -1.45 0.00 0.00 58.65 56.66 2e8m h GLN 89 Cb 0.85 0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.41 2e8m h GLN 89 CO 0.04 1.15 0.04 0.87 -0.95 0.00 0.00 178.83 179.98 2e8m h LYS 90 N -0.27 1.06 0.00 1.46 1.57 -1.32 -2.47 116.57 116.59 2e8m h LYS 90 Ca -0.10 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 2e8m h LYS 90 Cb 1.44 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.64 2e8m h LYS 90 CO 0.13 1.02 -0.04 0.00 -0.57 0.00 0.00 179.45 179.99 2e8m h ALA 91 N 1.00 1.55 -0.12 3.86 0.00 -1.51 0.16 119.26 124.21 2e8m h ALA 91 Ca 0.18 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2e8m h ALA 91 Cb 0.52 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.31 2e8m h ALA 91 CO 0.02 0.04 -0.52 0.00 0.00 0.00 0.00 179.25 178.80 2e8m h ALA 92 N 1.96 0.22 0.03 0.00 0.00 -1.40 -3.32 119.26 116.75 2e8m h ALA 92 Ca -0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 54.91 54.16 2e8m h ALA 92 Cb 0.09 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.88 2e8m h ALA 92 CO 0.00 0.41 -0.95 -0.07 0.00 0.00 0.00 179.25 178.64 2e8m h LEU 93 N 0.17 0.79 -8.22 0.00 3.38 -1.29 -3.43 115.31 106.72 2e8m h LEU 93 Ca -0.03 -0.77 -0.67 0.00 0.09 0.00 0.00 57.88 56.50 2e8m h LEU 93 Cb 1.15 -0.24 -0.31 0.00 0.09 0.00 0.00 40.66 41.36 2e8m h LEU 93 CO 0.11 1.46 -0.73 -0.44 0.09 0.00 0.00 178.44 178.93 2e8m s SER 94 N -7.16 4.34 0.00 -0.43 0.01 0.52 -5.11 113.70 105.88 2e8m s SER 94 Ca -0.11 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.41 2e8m s SER 94 Cb 0.05 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2e8m s SER 94 CO 0.89 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 175.05 2e8m n GLY 95 N 4.71 2.02 3.57 3.44 0.00 -1.26 -4.24 105.19 113.44 2e8m n GLY 95 Ca -0.17 -2.10 -0.27 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.20 2.52 -0.26 1.61 0.04 -1.26 -4.93 135.00 132.52 2e8m s PRO 96 Ca 0.00 -0.76 -0.20 0.00 0.04 0.00 0.00 61.00 60.09 2e8m s PRO 96 Cb 0.00 -5.16 -0.02 0.00 0.04 0.00 0.00 34.50 29.36 2e8m s PRO 96 CO 0.00 -3.71 0.59 0.45 0.04 0.00 0.00 177.00 174.37 2e8m s SER 97 N 7.22 6.53 -0.11 6.66 0.15 -1.26 -5.04 113.70 127.84 2e8m s SER 97 Ca 0.69 0.65 -0.01 0.00 0.70 0.00 0.00 55.95 57.98 2e8m s SER 97 Cb -0.04 -2.32 0.03 0.00 -1.71 0.00 0.00 66.02 61.98 2e8m s SER 97 CO 0.07 -0.34 -0.06 -0.44 1.20 0.00 0.00 173.24 173.66 2e8m s SER 98 N 1.49 2.17 0.00 5.45 0.01 -1.26 -5.30 113.70 116.27 2e8m s SER 98 Ca 0.24 -0.31 0.16 0.00 1.31 0.00 0.00 55.95 57.36 2e8m s SER 98 Cb -0.16 -0.80 0.13 0.00 0.21 0.00 0.00 66.02 65.41 2e8m s SER 98 CO 0.09 -0.13 1.02 0.61 0.41 0.00 0.00 173.24 175.23