#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 -0.44 0.05 1.61 0.01 -1.26 -5.13 113.70 108.54 2e8m s SER 2 Ca 0.00 1.02 -0.31 0.00 1.31 0.00 0.00 55.95 57.97 2e8m s SER 2 Cb 0.00 1.18 -0.07 0.00 0.21 0.00 0.00 66.02 67.34 2e8m s SER 2 CO 0.00 -0.22 1.49 -0.55 0.41 0.00 0.00 173.24 174.38 2e8m s SER 3 N 2.11 6.75 0.00 2.44 0.15 -1.26 -4.80 113.70 119.09 2e8m s SER 3 Ca -0.05 2.31 0.00 0.00 0.70 0.00 0.00 55.95 58.90 2e8m s SER 3 Cb -0.10 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2e8m s SER 3 CO -0.14 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.14 2e8m n GLY 4 N 3.74 1.66 2.00 9.45 0.00 -1.26 -5.04 105.19 115.75 2e8m n GLY 4 Ca 0.14 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2e8m n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e8m n SER 5 N 0.00 -0.05 -0.12 1.61 3.41 -1.26 -4.96 113.62 112.25 2e8m n SER 5 Ca 0.00 0.12 -0.21 0.00 -0.26 0.00 0.00 58.87 58.52 2e8m n SER 5 Cb 0.00 0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 63.94 2e8m n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2e8m n SER 6 N -2.72 1.99 -0.87 4.04 7.64 -1.26 -5.09 113.62 117.34 2e8m n SER 6 Ca 0.00 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2e8m n SER 6 Cb 0.00 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2e8m n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e8m n GLY 7 N 1.99 -1.70 3.06 0.23 0.00 -1.26 -5.10 105.19 102.41 2e8m n GLY 7 Ca -0.46 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 2e8m n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e8m s THR 8 N 0.00 1.44 -0.14 2.61 2.01 -1.26 -5.13 115.64 115.17 2e8m s THR 8 Ca 0.00 -0.63 -0.07 0.00 0.31 0.00 0.00 61.69 61.30 2e8m s THR 8 Cb 0.00 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 2e8m s THR 8 CO 0.00 0.43 0.11 -0.63 -0.69 0.00 0.00 174.62 173.84 2e8m s ILE 9 N 0.82 5.25 0.00 1.82 -1.09 -1.26 -5.05 121.20 121.69 2e8m s ILE 9 Ca -0.10 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.43 2e8m s ILE 9 Cb -0.16 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 2e8m s ILE 9 CO 0.01 0.56 0.65 0.61 -1.23 0.00 0.00 174.94 175.54 2e8m n GLY 10 N 2.56 -3.04 3.78 6.18 0.00 -1.26 -4.76 105.19 108.65 2e8m n GLY 10 Ca -0.18 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2e8m n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e8m s ARG 11 N -1.62 2.91 -0.88 1.61 0.52 -1.26 -5.04 118.95 115.19 2e8m s ARG 11 Ca 0.00 -0.67 0.01 0.00 -0.52 0.00 0.00 55.73 54.55 2e8m s ARG 11 Cb 0.00 -2.74 0.33 0.00 0.52 0.00 0.00 34.95 33.06 2e8m s ARG 11 CO 0.00 0.57 1.55 -1.13 0.02 0.00 0.00 175.30 176.32 2e8m n SER 12 N 0.50 6.45 -1.39 0.23 3.41 -1.26 -4.54 113.62 117.03 2e8m n SER 12 Ca -0.09 -3.69 0.02 0.00 -0.26 0.00 0.00 58.87 54.85 2e8m n SER 12 Cb 0.52 -0.97 0.01 0.00 -0.26 0.00 0.00 64.21 63.50 2e8m n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2e8m n ALA 13 N -0.14 2.56 -0.39 7.33 0.00 -1.26 -5.05 120.51 123.56 2e8m n ALA 13 Ca 0.42 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.82 2e8m n ALA 13 Cb 0.30 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 0.41 0.00 -2.51 0.00 0.00 -1.26 -4.69 120.51 112.45 2e8m n ALA 14 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2e8m n ALA 14 Cb 1.06 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.40 2e8m n ALA 14 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2e8m s GLN 15 N 0.00 2.08 -0.63 0.00 -0.21 -1.26 -5.04 119.66 114.59 2e8m s GLN 15 Ca 0.00 -1.00 0.01 0.00 0.02 0.00 0.00 55.36 54.38 2e8m s GLN 15 Cb 0.00 -2.24 0.41 0.00 1.00 0.00 0.00 33.01 32.19 2e8m s GLN 15 CO 0.00 0.53 1.76 0.36 -2.12 0.00 0.00 175.29 175.81 2e8m n LYS 16 N 1.18 2.97 -3.15 2.91 2.85 -1.26 -5.01 118.16 118.64 2e8m n LYS 16 Ca -0.15 -3.70 -0.34 0.00 -1.05 0.00 0.00 58.31 53.07 2e8m n LYS 16 Cb 0.52 -2.28 -0.06 0.00 -0.65 0.00 0.00 35.03 32.57 2e8m n LYS 16 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2e8m s LYS 17 N -3.83 4.10 0.16 -1.58 -0.14 -1.26 -5.04 119.74 112.15 2e8m s LYS 17 Ca 0.56 0.72 -0.30 0.00 -1.36 0.00 0.00 55.97 55.59 2e8m s LYS 17 Cb 0.45 -2.67 -0.08 0.00 -1.68 0.00 0.00 37.83 33.85 2e8m s LYS 17 CO -0.17 0.29 1.21 -0.06 -0.76 0.00 0.00 175.35 175.87 2e8m s PHE 18 N -1.74 3.41 -0.28 3.18 0.08 -1.26 -5.02 117.98 116.36 2e8m s PHE 18 Ca 0.48 1.37 -0.04 0.00 0.12 0.00 0.00 56.93 58.86 2e8m s PHE 18 Cb -0.13 -3.45 0.02 0.00 -0.57 0.00 0.00 43.02 38.89 2e8m s PHE 18 CO 0.19 -1.30 0.00 -1.58 -0.10 0.00 0.00 175.22 172.43 2e8m s HIS 19 N 0.17 3.13 0.12 0.36 2.46 -1.26 -5.10 115.29 115.18 2e8m s HIS 19 Ca 0.54 -1.41 0.05 0.00 0.47 0.00 0.00 55.06 54.72 2e8m s HIS 19 Cb -0.33 -2.14 -0.04 0.00 -0.13 0.00 0.00 32.58 29.95 2e8m s HIS 19 CO 0.35 -0.69 -0.12 0.14 -2.47 0.00 0.00 174.74 171.95 2e8m s VAL 20 N 1.38 1.16 0.81 0.89 -7.23 -1.26 -5.15 120.40 111.00 2e8m s VAL 20 Ca 0.00 -1.75 -0.11 0.00 -1.81 0.00 0.00 61.98 58.31 2e8m s VAL 20 Cb -0.17 -1.52 0.08 0.00 0.56 0.00 0.00 36.38 35.32 2e8m s VAL 20 CO -0.01 -0.53 1.09 -2.16 -0.31 0.00 0.00 175.10 173.18 2e8m s PRO 21 N -2.90 1.95 -0.23 4.82 0.04 -1.26 -5.05 135.00 132.37 2e8m s PRO 21 Ca 0.09 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.21 2e8m s PRO 21 Cb -0.03 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.70 2e8m s PRO 21 CO 0.02 -1.83 -0.05 1.03 0.04 0.00 0.00 177.00 176.21 2e8m s ARG 22 N -4.91 1.58 0.31 4.56 0.52 -1.26 -5.12 118.95 114.63 2e8m s ARG 22 Ca 0.62 -0.97 -0.07 0.00 -0.52 0.00 0.00 55.73 54.79 2e8m s ARG 22 Cb -0.17 -2.57 -0.06 0.00 0.52 0.00 0.00 34.95 32.67 2e8m s ARG 22 CO 0.56 -0.60 0.61 -0.65 0.02 0.00 0.00 175.30 175.24 2e8m s GLN 23 N 1.41 3.71 0.45 3.54 1.11 -1.26 -5.06 119.66 123.56 2e8m s GLN 23 Ca -0.06 0.19 -0.24 0.00 0.01 0.00 0.00 55.36 55.26 2e8m s GLN 23 Cb -0.19 -2.58 -0.08 0.00 -1.01 0.00 0.00 33.01 29.16 2e8m s GLN 23 CO -0.06 0.17 1.19 0.54 0.01 0.00 0.00 175.29 177.13 2e8m s ASN 24 N -3.00 6.21 0.14 5.90 4.22 -1.26 -5.05 114.94 122.10 2e8m s ASN 24 Ca 0.47 2.37 0.10 0.00 -2.14 0.00 0.00 52.86 53.65 2e8m s ASN 24 Cb -0.11 -2.61 -0.04 0.00 1.28 0.00 0.00 41.25 39.77 2e8m s ASN 24 CO 0.28 -0.90 -0.23 0.68 -2.04 0.00 0.00 177.10 174.90 2e8m s VAL 25 N -1.48 2.01 0.87 3.54 -7.23 -1.26 -5.14 120.40 111.70 2e8m s VAL 25 Ca 0.62 -1.77 -0.11 0.00 -1.81 0.00 0.00 61.98 58.90 2e8m s VAL 25 Cb -0.30 -1.84 0.11 0.00 0.56 0.00 0.00 36.38 34.90 2e8m s VAL 25 CO 0.37 -0.08 1.09 -2.16 -0.31 0.00 0.00 175.10 174.01 2e8m s PRO 26 N -2.28 1.51 0.28 4.82 0.04 -1.26 -4.99 135.00 133.13 2e8m s PRO 26 Ca 0.13 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 61.79 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 -2.09 1.23 0.54 0.04 0.00 0.00 177.00 176.78 2e8m s VAL 27 N -2.93 3.10 0.06 -0.36 0.11 -1.26 -5.04 120.40 114.08 2e8m s VAL 27 Ca 0.63 1.05 0.07 0.00 -2.93 0.00 0.00 61.98 60.81 2e8m s VAL 27 Cb -0.18 -3.67 -0.03 0.00 -1.53 0.00 0.00 36.38 30.97 2e8m s VAL 27 CO 0.57 0.23 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.77 2e8m s ILE 28 N -0.87 2.89 0.03 7.04 -1.09 -1.26 -5.13 121.20 122.80 2e8m s ILE 28 Ca 0.49 -1.24 -0.20 0.00 -2.23 0.00 0.00 60.65 57.47 2e8m s ILE 28 Cb -0.36 -2.25 0.04 0.00 -1.58 0.00 0.00 42.46 38.30 2e8m s ILE 28 CO 0.46 0.27 0.44 0.20 -1.23 0.00 0.00 174.94 175.08 2e8m s ASN 29 N -1.65 -0.34 0.14 3.58 -0.87 -1.26 -5.01 114.94 109.54 2e8m s ASN 29 Ca 0.16 0.11 0.07 0.00 -1.57 0.00 0.00 52.86 51.62 2e8m s ASN 29 Cb -0.11 0.43 -0.04 0.00 -0.02 0.00 0.00 41.25 41.52 2e8m s ASN 29 CO 0.07 -0.64 -0.15 0.27 -2.57 0.00 0.00 177.10 174.08 2e8m s ILE 30 N -2.20 1.46 0.38 0.60 -4.36 -1.26 -5.00 121.20 110.82 2e8m s ILE 30 Ca -0.07 -1.85 0.05 0.00 -0.26 0.00 0.00 60.65 58.52 2e8m s ILE 30 Cb -0.01 -1.69 -0.03 0.00 1.25 0.00 0.00 42.46 41.98 2e8m s ILE 30 CO -0.00 -0.45 0.18 0.42 0.24 0.00 0.00 174.94 175.32 2e8m s THR 31 N -2.34 0.39 0.01 8.37 -4.23 -1.26 -4.88 115.64 111.71 2e8m s THR 31 Ca 0.13 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.94 2e8m s THR 31 Cb -0.04 -2.39 0.33 0.00 1.34 0.00 0.00 72.50 71.73 2e8m s THR 31 CO 0.04 0.00 1.93 1.88 -0.54 0.00 0.00 174.62 177.93 2e8m h TYR 32 N 1.92 0.00 -0.80 3.99 0.05 -1.95 -2.43 116.97 117.76 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 1.54 0.00 -0.46 -0.25 -1.05 0.00 0.00 178.16 177.94 2e8m n ASP 33 N -2.66 5.49 -5.00 3.88 8.00 -1.26 -3.21 116.55 121.79 2e8m n ASP 33 Ca -0.00 -3.76 -0.19 0.00 0.71 0.00 0.00 54.79 51.55 2e8m n ASP 33 Cb 0.17 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 40.80 2e8m n ASP 33 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2e8m s SER 34 N -3.22 5.65 0.23 -2.24 0.01 -0.91 -5.00 113.70 108.21 2e8m s SER 34 Ca 0.54 -0.25 -0.00 0.00 1.31 0.00 0.00 55.95 57.54 2e8m s SER 34 Cb 0.43 -0.86 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 2e8m s SER 34 CO 0.03 -0.78 0.41 0.42 0.41 0.00 0.00 173.24 173.74 2e8m s THR 35 N -2.41 5.19 -1.18 1.44 -4.23 -1.26 -3.18 115.64 110.00 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 0.18 0.00 1.34 0.00 0.00 72.50 70.16 2e8m s THR 35 CO 0.34 -0.24 1.44 -0.81 -0.54 0.00 0.00 174.62 174.81 2e8m n PRO 36 N -0.86 0.09 -0.00 3.99 -0.04 -1.26 -2.27 135.00 134.64 2e8m n PRO 36 Ca -0.05 0.21 -0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2e8m n PRO 36 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 2e8m n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2e8m n GLU 37 N -1.41 0.64 0.08 0.54 1.02 -1.26 -4.02 120.64 116.23 2e8m n GLU 37 Ca 0.05 0.11 -0.18 0.00 -0.02 0.00 0.00 57.16 57.12 2e8m n GLU 37 Cb 0.15 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 29.76 2e8m n GLU 37 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2e8m h ASP 38 N 0.00 0.70 -0.84 1.62 3.32 -1.83 -3.27 116.42 116.13 2e8m h ASP 38 Ca -0.22 -0.63 0.06 0.00 0.02 0.00 0.00 57.03 56.27 2e8m h ASP 38 Cb 1.62 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.90 2e8m h ASP 38 CO 0.04 1.45 0.55 0.58 -1.72 0.00 0.00 179.24 180.13 2e8m h VAL 39 N 0.24 1.06 -0.72 -1.35 2.07 -1.71 -1.39 116.25 114.44 2e8m h VAL 39 Ca -0.14 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.18 2e8m h VAL 39 Cb 1.81 0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 31.53 2e8m h VAL 39 CO 0.21 0.17 0.29 0.50 0.02 0.00 0.00 177.57 178.76 2e8m h LYS 40 N 0.94 0.45 0.01 1.57 3.64 -1.72 -0.22 116.57 121.25 2e8m h LYS 40 Ca 0.36 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.49 2e8m h LYS 40 Cb 0.20 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2e8m h LYS 40 CO -0.13 0.30 -0.96 1.15 -2.27 0.00 0.00 179.45 177.54 2e8m h THR 41 N 0.47 1.42 -0.43 1.00 2.02 -1.50 -2.91 112.91 112.98 2e8m h THR 41 Ca 0.38 -2.52 -0.00 0.00 0.77 0.00 0.00 66.41 65.04 2e8m h THR 41 Cb 0.52 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 2e8m h THR 41 CO -0.36 0.75 0.25 -0.25 0.37 0.00 0.00 175.52 176.28 2e8m h TRP 42 N 0.20 0.55 0.02 3.16 7.01 -0.22 0.22 115.95 126.91 2e8m h TRP 42 Ca -0.08 0.00 -0.23 0.00 2.11 0.00 0.00 58.89 60.70 2e8m h TRP 42 Cb 1.60 -0.18 0.02 0.00 -2.10 0.00 0.00 29.16 28.49 2e8m h TRP 42 CO 0.06 0.38 -0.90 -0.07 -2.79 0.00 0.00 178.44 175.11 2e8m h LEU 43 N 0.59 0.76 -0.34 0.65 3.38 -1.09 -3.14 115.31 116.11 2e8m h LEU 43 Ca 0.16 -0.77 -0.08 0.00 0.09 0.00 0.00 57.88 57.28 2e8m h LEU 43 Cb -0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2e8m h LEU 43 CO -0.03 1.43 -0.09 1.56 0.09 0.00 0.00 178.44 181.40 2e8m h GLN 44 N 0.17 0.66 -0.40 1.13 4.20 -1.25 -1.93 115.11 117.70 2e8m h GLN 44 Ca -0.12 -0.26 0.08 0.00 0.06 0.00 0.00 58.65 58.41 2e8m h GLN 44 Cb 1.59 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 29.26 2e8m h GLN 44 CO 0.18 0.83 -0.03 1.03 -0.67 0.00 0.00 178.83 180.17 2e8m h SER 45 N 0.45 -0.23 -0.02 1.46 0.87 -0.66 0.72 113.55 116.14 2e8m h SER 45 Ca 0.09 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2e8m h SER 45 Cb 0.59 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2e8m h SER 45 CO 0.04 -0.08 0.01 0.11 -0.53 0.00 0.00 176.83 176.38 2e8m h LYS 46 N 0.07 0.00 0.00 2.24 1.79 -1.51 -3.46 116.57 115.70 2e8m h LYS 46 Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2e8m h LYS 46 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2e8m h LYS 46 CO -0.35 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.43 2e8m n GLY 47 N -1.47 1.37 3.86 3.86 0.00 0.25 -5.11 105.19 107.94 2e8m n GLY 47 Ca -0.03 0.00 -0.34 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 -2.00 3.55 0.79 1.61 0.08 -0.74 -5.03 117.98 116.25 2e8m s PHE 48 Ca 0.00 0.97 -0.15 0.00 0.12 0.00 0.00 56.93 57.87 2e8m s PHE 48 Cb 0.00 -2.31 0.00 0.00 -0.57 0.00 0.00 43.02 40.15 2e8m s PHE 48 CO 0.00 0.40 0.64 0.27 -0.10 0.00 0.00 175.22 176.43 2e8m n ASN 49 N 0.57 -0.93 0.19 1.36 6.94 -1.26 -4.63 115.26 117.50 2e8m n ASN 49 Ca -0.04 0.53 0.04 0.00 -0.02 0.00 0.00 54.58 55.09 2e8m n ASN 49 Cb 0.52 -1.28 0.36 0.00 -2.36 0.00 0.00 39.78 37.03 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 -0.74 0.00 0.00 -0.53 0.13 -1.98 -2.83 132.00 126.05 2e8m h PRO 50 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.39 -0.02 0.28 -0.23 0.00 0.00 178.00 178.83 2e8m h VAL 51 N 0.00 0.34 0.05 1.56 2.07 -2.00 -1.30 116.25 116.97 2e8m h VAL 51 Ca -0.00 -0.10 -0.33 0.00 0.82 0.00 0.00 66.70 67.09 2e8m h VAL 51 Cb 0.79 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2e8m h VAL 51 CO 0.05 0.02 -1.83 0.41 0.02 0.00 0.00 177.57 176.24 2e8m n THR 52 N -3.54 1.63 0.32 2.57 -1.04 -1.08 -3.63 114.28 109.50 2e8m n THR 52 Ca -0.03 -0.37 0.21 0.00 -2.04 0.00 0.00 64.05 61.82 2e8m n THR 52 Cb 0.11 -1.84 1.08 0.00 -1.82 0.00 0.00 70.33 67.86 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 0.09 0.19 12.58 2.07 -1.37 0.27 116.25 129.59 2e8m h VAL 53 Ca -0.45 -0.11 -0.30 0.00 0.82 0.00 0.00 66.70 66.66 2e8m h VAL 53 Cb 1.68 1.10 0.02 0.00 -1.52 0.00 0.00 31.29 32.58 2e8m h VAL 53 CO -0.11 0.01 -1.38 0.78 0.02 0.00 0.00 177.57 176.88 2e8m h ASN 54 N 0.00 0.64 1.13 0.57 2.35 -1.40 -0.95 115.58 117.93 2e8m h ASN 54 Ca -0.00 -0.92 -0.16 0.00 -0.55 0.00 0.00 56.30 54.66 2e8m h ASN 54 Cb 0.10 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2e8m h ASN 54 CO 0.00 1.65 -0.78 -1.28 -1.65 0.00 0.00 177.43 175.37 2e8m h SER 55 N -0.05 0.00 -0.31 5.81 0.87 -1.47 -3.25 113.55 115.15 2e8m h SER 55 Ca -0.26 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.23 2e8m h SER 55 Cb 1.98 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.90 2e8m h SER 55 CO 0.19 0.78 0.00 0.18 -0.53 0.00 0.00 176.83 177.46 2e8m n LEU 56 N -3.35 4.05 -1.15 2.23 4.77 0.89 -4.49 117.00 119.95 2e8m n LEU 56 Ca 0.01 -3.25 0.11 0.00 -0.03 0.00 0.00 56.01 52.85 2e8m n LEU 56 Cb 0.83 -0.58 0.24 0.00 -2.33 0.00 0.00 43.42 41.58 2e8m n LEU 56 CO 0.44 0.85 0.71 0.61 -1.33 0.00 0.00 177.39 178.67 2e8m n GLY 57 N -0.71 2.01 0.00 -0.72 0.00 -0.36 -4.23 105.19 101.18 2e8m n GLY 57 Ca 0.26 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.58 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 1.43 0.00 -3.32 1.61 0.24 -1.26 -4.54 118.33 112.50 2e8m n VAL 58 Ca 0.20 -0.20 -0.38 0.00 -2.04 0.00 0.00 64.34 61.91 2e8m n VAL 58 Cb 0.58 0.64 -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 -2.81 4.45 0.81 1.34 1.43 -1.26 -4.70 118.68 117.95 2e8m s LEU 59 Ca -0.00 1.10 -0.11 0.00 -1.03 0.00 0.00 54.13 54.08 2e8m s LEU 59 Cb 0.02 -2.80 0.08 0.00 0.03 0.00 0.00 46.19 43.52 2e8m s LEU 59 CO 0.12 0.20 1.09 0.54 0.23 0.00 0.00 176.35 178.53 2e8m s ASN 60 N -0.61 4.33 0.36 2.29 2.20 -1.26 -4.23 114.94 118.02 2e8m s ASN 60 Ca 0.28 1.42 0.12 0.00 -0.94 0.00 0.00 52.86 53.73 2e8m s ASN 60 Cb -0.18 -2.15 0.91 0.00 -2.00 0.00 0.00 41.25 37.82 2e8m s ASN 60 CO 0.16 -2.09 1.81 1.23 -2.94 0.00 0.00 177.10 175.28 2e8m h GLY 61 N -1.17 1.34 0.99 0.45 0.00 -1.69 -0.36 103.07 102.63 2e8m h GLY 61 Ca -0.47 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 46.56 2e8m h GLY 61 CO 0.57 -0.03 -0.24 0.00 0.00 0.00 0.00 176.54 176.85 2e8m h ALA 62 N 1.62 -0.66 -0.00 3.60 0.00 -1.62 0.63 119.26 122.84 2e8m h ALA 62 Ca 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2e8m h ALA 62 Cb 1.04 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2e8m h ALA 62 CO -0.28 -0.86 0.00 1.96 0.00 0.00 0.00 179.25 180.07 2e8m h GLN 63 N -0.68 0.00 -0.93 0.00 1.08 -1.68 -2.52 115.11 110.39 2e8m h GLN 63 Ca -0.07 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.22 2e8m h GLN 63 Cb 0.52 -0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.88 2e8m h GLN 63 CO 0.11 0.03 0.60 1.25 -0.95 0.00 0.00 178.83 179.86 2e8m h LEU 64 N -0.02 0.87 -2.01 1.46 6.46 -1.05 0.12 115.31 121.14 2e8m h LEU 64 Ca 0.00 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 2e8m h LEU 64 Cb 0.02 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.79 2e8m h LEU 64 CO -0.00 0.52 -0.08 -0.26 -0.62 0.00 0.00 178.44 178.00 2e8m h PHE 65 N 0.97 0.00 0.00 1.25 -1.00 -0.46 -2.03 116.94 115.67 2e8m h PHE 65 Ca 0.42 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 61.03 2e8m h PHE 65 Cb 0.35 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.89 2e8m h PHE 65 CO -0.00 0.08 -0.85 1.03 -1.61 0.00 0.00 178.31 176.96 2e8m h SER 66 N 0.00 0.00 -2.86 2.17 0.87 -0.39 -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 0.31 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2e8m h SER 66 CO 0.01 0.85 0.89 -0.76 -0.53 0.00 0.00 176.83 177.28 2e8m s LEU 67 N -6.79 4.30 0.00 2.23 1.43 -0.76 -5.02 118.68 114.07 2e8m s LEU 67 Ca 0.01 2.10 -0.00 0.00 -1.03 0.00 0.00 54.13 55.21 2e8m s LEU 67 Cb 0.10 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.77 2e8m s LEU 67 CO 0.80 -0.76 0.04 0.59 0.23 0.00 0.00 176.35 177.24 2e8m n ASN 68 N 5.78 0.04 0.31 2.29 3.02 -1.26 -4.74 115.26 120.70 2e8m n ASN 68 Ca 0.14 -1.03 0.18 0.00 -0.03 0.00 0.00 54.58 53.84 2e8m n ASN 68 Cb 0.44 -0.03 1.00 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 -1.12 116.57 120.66 2e8m h LYS 69 Ca -0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2e8m h LYS 69 Cb 0.04 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2e8m h LYS 69 CO 0.01 0.02 -0.21 0.22 -2.27 0.00 0.00 179.45 177.22 2e8m h ASP 70 N 0.00 0.00 -0.93 4.20 3.58 -1.95 -2.85 116.42 118.47 2e8m h ASP 70 Ca -0.00 -0.01 0.16 0.00 0.42 0.00 0.00 57.03 57.60 2e8m h ASP 70 Cb 0.11 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.06 2e8m h ASP 70 CO 0.00 0.61 0.53 -0.33 -2.88 0.00 0.00 179.24 177.17 2e8m h GLU 71 N -1.00 0.70 -0.18 0.28 4.39 -1.89 0.11 114.58 116.99 2e8m h GLU 71 Ca -0.00 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.52 2e8m h GLU 71 Cb 0.22 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2e8m h GLU 71 CO -0.00 0.46 -0.46 -0.07 -1.16 0.00 0.00 179.01 177.78 2e8m h LEU 72 N 0.72 0.48 -1.15 1.33 3.38 -1.37 -2.44 115.31 116.26 2e8m h LEU 72 Ca 0.52 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 2e8m h LEU 72 Cb 0.74 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2e8m h LEU 72 CO -0.36 0.88 -0.28 -0.09 0.09 0.00 0.00 178.44 178.67 2e8m h ARG 73 N 0.36 0.00 0.03 1.13 2.43 -0.63 -2.02 114.38 115.68 2e8m h ARG 73 Ca 0.02 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 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 0.08 0.28 -0.27 1.79 -1.51 0.00 0.00 179.97 180.34 2e8m h THR 74 N 0.00 1.64 -0.48 0.20 1.35 -0.77 -3.33 112.91 111.52 2e8m h THR 74 Ca -0.00 -2.23 -0.06 0.00 -0.55 0.00 0.00 66.41 63.57 2e8m h THR 74 Cb 0.75 3.11 -0.02 0.00 -1.73 0.00 0.00 68.15 70.26 2e8m h THR 74 CO 0.04 0.60 0.05 1.62 -0.25 0.00 0.00 175.52 177.58 2e8m h VAL 75 N -0.68 1.23 -3.62 6.82 3.04 -1.43 -3.45 116.25 118.16 2e8m h VAL 75 Ca -0.04 -0.89 -0.12 0.00 -1.01 0.00 0.00 66.70 64.64 2e8m h VAL 75 Cb 1.14 0.81 -0.18 0.00 -2.01 0.00 0.00 31.29 31.05 2e8m h VAL 75 CO 0.05 0.32 -0.44 0.00 -1.01 0.00 0.00 177.57 176.49 2e8m h PRO 77 N 3.60 0.00 -0.80 0.00 0.13 -1.82 -2.71 132.00 130.39 2e8m h PRO 77 Ca -0.32 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.66 2e8m h PRO 77 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 2e8m h PRO 77 CO 0.48 0.12 0.19 0.39 -0.23 0.00 0.00 178.00 178.95 2e8m n GLU 78 N -3.30 3.26 0.31 0.86 -0.58 -1.26 -4.55 120.64 115.38 2e8m n GLU 78 Ca -0.00 -2.41 -0.17 0.00 -0.42 0.00 0.00 57.16 54.16 2e8m n GLU 78 Cb 0.35 -2.03 -0.08 0.00 -0.57 0.00 0.00 31.44 29.10 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 3.28 -0.91 0.32 0.62 0.00 -1.55 0.60 103.07 105.43 2e8m h GLY 79 Ca 0.19 0.39 0.24 0.00 0.00 0.00 0.00 47.33 48.15 2e8m h GLY 79 CO 0.56 -0.33 0.60 0.00 0.00 0.00 0.00 176.54 177.38 2e8m h ALA 80 N -0.46 2.80 0.09 3.60 0.00 -1.80 0.31 119.26 123.80 2e8m h ALA 80 Ca -0.06 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.56 2e8m h ALA 80 Cb 0.70 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2e8m h ALA 80 CO 0.05 -1.04 -1.21 0.00 0.00 0.00 0.00 179.25 177.06 2e8m h ARG 81 N 0.00 0.20 -0.03 0.00 2.47 -1.71 -3.16 114.38 112.14 2e8m h ARG 81 Ca 0.40 -0.34 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 2e8m h ARG 81 Cb 1.60 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 30.05 2e8m h ARG 81 CO -0.00 1.15 -0.15 0.28 0.56 0.00 0.00 179.97 181.80 2e8m h VAL 82 N 0.05 1.48 -0.70 2.04 2.07 0.18 -3.24 116.25 118.14 2e8m h VAL 82 Ca -0.11 -1.65 0.09 0.00 0.82 0.00 0.00 66.70 65.86 2e8m h VAL 82 Cb 1.92 2.48 -0.07 0.00 -1.52 0.00 0.00 31.29 34.10 2e8m h VAL 82 CO 0.18 0.45 0.34 0.22 0.02 0.00 0.00 177.57 178.78 2e8m h TYR 83 N -0.43 0.61 -0.06 1.57 3.20 -0.90 0.17 116.97 121.13 2e8m h TYR 83 Ca -0.01 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.91 2e8m h TYR 83 Cb 0.81 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 2e8m h TYR 83 CO 0.15 0.21 0.11 0.77 -1.64 0.00 0.00 178.16 177.76 2e8m h SER 84 N 0.58 0.00 0.81 -2.11 0.02 -1.60 0.22 113.55 111.47 2e8m h SER 84 Ca 0.35 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.26 2e8m h SER 84 Cb 0.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2e8m h SER 84 CO -0.27 0.00 -1.22 0.00 -1.14 0.00 0.00 176.83 174.20 2e8m n GLN 85 N -3.49 0.62 0.01 3.45 1.13 0.48 -4.11 117.38 115.47 2e8m n GLN 85 Ca -0.01 0.11 -0.11 0.00 -1.94 0.00 0.00 57.00 55.04 2e8m n GLN 85 Cb 0.20 -1.79 -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 0.99 -0.85 5.09 2.04 0.26 -3.35 117.51 121.69 2e8m h ILE 86 Ca -0.04 -2.77 0.14 0.00 1.00 0.00 0.00 64.86 63.18 2e8m h ILE 86 Cb 1.14 2.55 -0.06 0.00 -0.74 0.00 0.00 36.82 39.70 2e8m h ILE 86 CO 0.01 0.66 0.55 0.00 0.00 0.00 0.00 178.15 179.37 2e8m h THR 87 N 0.02 0.84 0.00 -0.27 1.03 -0.85 0.23 112.91 113.91 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 0.15 -0.01 0.00 -1.07 0.00 0.00 68.15 69.20 2e8m h THR 87 CO 0.10 0.12 -0.26 1.62 -0.01 0.00 0.00 175.52 177.09 2e8m h VAL 88 N 0.64 0.70 0.05 0.00 3.04 -1.74 -1.78 116.25 117.16 2e8m h VAL 88 Ca 0.42 -1.12 -0.10 0.00 -1.01 0.00 0.00 66.70 64.89 2e8m h VAL 88 Cb 0.71 1.72 0.01 0.00 -2.01 0.00 0.00 31.29 31.72 2e8m h VAL 88 CO -0.18 0.25 -0.41 1.56 -1.01 0.00 0.00 177.57 177.79 2e8m h GLN 89 N 0.00 0.19 -0.46 4.17 1.08 -0.75 -3.18 115.11 116.16 2e8m h GLN 89 Ca -0.00 -0.27 -0.04 0.00 -1.45 0.00 0.00 58.65 56.88 2e8m h GLN 89 Cb 0.69 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 2e8m h GLN 89 CO 0.03 1.07 0.11 0.87 -0.95 0.00 0.00 178.83 179.97 2e8m h LYS 90 N -0.57 0.73 -0.12 1.46 1.57 -1.26 -2.38 116.57 116.01 2e8m h LYS 90 Ca -0.07 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 58.57 2e8m h LYS 90 Cb 1.26 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 2e8m h LYS 90 CO 0.08 0.73 0.12 0.00 -0.57 0.00 0.00 179.45 179.81 2e8m h ALA 91 N 0.98 1.76 -0.10 3.86 0.00 -1.44 0.20 119.26 124.51 2e8m h ALA 91 Ca 0.14 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 2e8m h ALA 91 Cb 0.32 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2e8m h ALA 91 CO 0.00 -0.18 -0.82 0.00 0.00 0.00 0.00 179.25 178.25 2e8m h ALA 92 N 1.87 0.24 0.01 0.00 0.00 -1.40 -3.35 119.26 116.62 2e8m h ALA 92 Ca 0.06 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2e8m h ALA 92 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2e8m h ALA 92 CO -0.00 0.64 -0.00 -0.07 0.00 0.00 0.00 179.25 179.82 2e8m h LEU 93 N 0.44 -0.01 -9.87 0.00 3.38 -1.10 -3.46 115.31 104.69 2e8m h LEU 93 Ca -0.07 -0.82 -0.55 0.00 0.09 0.00 0.00 57.88 56.53 2e8m h LEU 93 Cb 1.46 0.00 0.19 0.00 0.09 0.00 0.00 40.66 42.41 2e8m h LEU 93 CO 0.17 0.86 -0.17 -1.54 0.09 0.00 0.00 178.44 177.85 2e8m n SER 94 N -4.67 -0.54 -4.97 -0.43 3.41 0.61 -5.01 113.62 102.01 2e8m n SER 94 Ca -0.09 0.55 -0.20 0.00 -0.26 0.00 0.00 58.87 58.87 2e8m n SER 94 Cb 0.40 -1.32 0.07 0.00 -0.26 0.00 0.00 64.21 63.10 2e8m n SER 94 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2e8m s GLY 95 N -1.78 1.75 0.29 5.00 0.00 -1.26 -4.89 107.32 106.43 2e8m s GLY 95 Ca 0.67 -2.04 0.07 0.00 0.00 0.00 0.00 44.72 43.42 2e8m s GLY 95 CO 0.57 -1.58 1.68 -0.56 0.00 0.00 0.00 173.10 173.21 2e8m h PRO 96 N 0.09 0.18 -1.56 2.90 0.13 -1.95 -3.44 132.00 128.35 2e8m h PRO 96 Ca -0.32 -0.10 0.11 0.00 -0.87 0.00 0.00 66.00 64.82 2e8m h PRO 96 Cb 1.28 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.18 2e8m h PRO 96 CO 0.41 0.62 0.20 0.45 -0.23 0.00 0.00 178.00 179.45 2e8m s SER 97 N -6.88 -0.70 -0.53 1.44 0.15 -1.26 -5.09 113.70 100.82 2e8m s SER 97 Ca -0.04 1.05 0.07 0.00 0.70 0.00 0.00 55.95 57.73 2e8m s SER 97 Cb 0.13 1.51 0.26 0.00 -1.71 0.00 0.00 66.02 66.20 2e8m s SER 97 CO 0.77 -0.16 0.67 -1.20 1.20 0.00 0.00 173.24 174.52 2e8m n SER 98 N 4.38 2.33 0.00 5.45 7.64 -1.26 -5.27 113.62 126.89 2e8m n SER 98 Ca -0.16 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.57 2e8m n SER 98 Cb 0.55 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2e8m n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64