#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e8m h SER 2 N 0.00 0.65 -5.63 1.61 0.02 -2.12 -3.49 113.55 104.58 2e8m h SER 2 Ca 0.00 -0.78 -0.10 0.00 -0.84 0.00 0.00 61.79 60.07 2e8m h SER 2 Cb 0.00 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.33 2e8m h SER 2 CO 0.00 1.63 -0.77 -1.20 -1.14 0.00 0.00 176.83 175.35 2e8m n SER 3 N -3.61 -7.31 0.00 3.07 7.64 -1.26 -4.99 113.62 107.16 2e8m n SER 3 Ca -0.17 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2e8m n SER 3 Cb 1.08 -4.28 0.00 0.00 -1.01 0.00 0.00 64.21 60.00 2e8m n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e8m n GLY 4 N -0.05 1.03 3.78 0.23 0.00 -1.26 -5.15 105.19 103.78 2e8m n GLY 4 Ca 0.05 0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2e8m n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e8m s SER 5 N 0.00 7.22 -0.17 1.61 0.01 -1.26 -4.95 113.70 116.16 2e8m s SER 5 Ca 0.00 1.86 -0.35 0.00 1.31 0.00 0.00 55.95 58.77 2e8m s SER 5 Cb 0.00 -2.58 -0.12 0.00 0.21 0.00 0.00 66.02 63.53 2e8m s SER 5 CO 0.00 -0.16 1.92 -0.24 0.41 0.00 0.00 173.24 175.17 2e8m n SER 6 N 0.37 3.08 0.00 2.44 2.88 -1.26 -4.77 113.62 116.37 2e8m n SER 6 Ca 0.03 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 2e8m n SER 6 Cb 0.50 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 2e8m n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e8m n GLY 7 N 4.73 -0.92 0.54 0.46 0.00 -1.26 -5.03 105.19 103.72 2e8m n GLY 7 Ca 0.26 -1.43 -0.02 0.00 0.00 0.00 0.00 46.02 44.83 2e8m n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2e8m n THR 8 N 7.34 0.11 -2.95 2.61 -1.04 -1.26 -5.05 114.28 114.04 2e8m n THR 8 Ca 0.00 -0.04 -0.35 0.00 -2.04 0.00 0.00 64.05 61.63 2e8m n THR 8 Cb 0.00 -1.12 -0.06 0.00 -1.82 0.00 0.00 70.33 67.32 2e8m n THR 8 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2e8m s ILE 9 N -2.04 4.45 0.96 12.58 2.07 -1.26 -5.04 121.20 132.92 2e8m s ILE 9 Ca -0.03 1.40 -0.11 0.00 -1.41 0.00 0.00 60.65 60.50 2e8m s ILE 9 Cb 0.01 -3.76 0.17 0.00 0.13 0.00 0.00 42.46 39.00 2e8m s ILE 9 CO 0.04 -0.05 1.11 -0.83 -1.91 0.00 0.00 174.94 173.30 2e8m s GLY 10 N -1.94 1.65 -0.32 1.50 0.00 -1.26 -4.95 107.32 101.99 2e8m s GLY 10 Ca 0.53 0.36 -0.23 0.00 0.00 0.00 0.00 44.72 45.37 2e8m s GLY 10 CO 0.19 0.84 0.79 -1.60 0.00 0.00 0.00 173.10 173.32 2e8m s ARG 11 N -4.65 3.90 -0.35 2.90 3.52 -1.26 -4.85 118.95 118.16 2e8m s ARG 11 Ca 0.66 0.52 0.04 0.00 -0.13 0.00 0.00 55.73 56.82 2e8m s ARG 11 Cb -0.22 -3.75 0.26 0.00 -1.56 0.00 0.00 34.95 29.68 2e8m s ARG 11 CO 0.59 -0.73 1.26 0.45 -0.81 0.00 0.00 175.30 176.06 2e8m n SER 12 N 6.29 -1.45 -0.11 -2.12 2.88 -1.26 -5.01 113.62 112.84 2e8m n SER 12 Ca 0.04 -2.17 -0.14 0.00 -1.33 0.00 0.00 58.87 55.27 2e8m n SER 12 Cb 0.48 1.23 -0.12 0.00 -0.75 0.00 0.00 64.21 65.06 2e8m n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2e8m n ALA 13 N 0.11 1.51 -3.01 -1.46 0.00 -1.26 -5.07 120.51 111.32 2e8m n ALA 13 Ca -0.09 -1.05 -0.14 0.00 0.00 0.00 0.00 53.44 52.16 2e8m n ALA 13 Cb 0.73 -0.06 0.01 0.00 0.00 0.00 0.00 19.45 20.13 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 -3.05 -2.84 -1.67 0.00 0.00 -1.26 -4.98 120.51 106.71 2e8m n ALA 14 Ca -0.38 0.77 -0.29 0.00 0.00 0.00 0.00 53.44 53.54 2e8m n ALA 14 Cb 0.98 -2.70 0.11 0.00 0.00 0.00 0.00 19.45 17.84 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 -2.28 1.53 -1.23 0.00 -1.52 -1.26 -4.94 119.66 109.96 2e8m s GLN 15 Ca 0.22 0.26 -0.18 0.00 -1.95 0.00 0.00 55.36 53.72 2e8m s GLN 15 Cb -0.05 -1.89 0.10 0.00 -0.22 0.00 0.00 33.01 30.95 2e8m s GLN 15 CO 0.74 -1.93 1.60 0.15 -0.25 0.00 0.00 175.29 175.60 2e8m s LYS 16 N -5.37 3.95 0.25 2.91 1.02 -1.26 -4.96 119.74 116.28 2e8m s LYS 16 Ca 0.63 -2.04 0.10 0.00 0.02 0.00 0.00 55.97 54.67 2e8m s LYS 16 Cb -0.13 -5.37 -0.04 0.00 -0.52 0.00 0.00 37.83 31.77 2e8m s LYS 16 CO 0.52 -2.10 -0.04 0.21 -0.92 0.00 0.00 175.35 173.02 2e8m s LYS 17 N 3.56 2.20 -0.30 1.68 2.20 -1.26 -5.07 119.74 122.75 2e8m s LYS 17 Ca 0.49 -1.41 -0.28 0.00 -0.36 0.00 0.00 55.97 54.41 2e8m s LYS 17 Cb 0.01 -2.13 -0.02 0.00 -1.51 0.00 0.00 37.83 34.18 2e8m s LYS 17 CO 0.03 0.38 1.82 0.12 -0.36 0.00 0.00 175.35 177.34 2e8m s PHE 18 N -2.20 1.77 -0.04 4.03 5.36 -1.26 -4.63 117.98 121.01 2e8m s PHE 18 Ca 0.30 0.59 0.01 0.00 -0.96 0.00 0.00 56.93 56.87 2e8m s PHE 18 Cb -0.07 -4.10 0.05 0.00 -0.34 0.00 0.00 43.02 38.56 2e8m s PHE 18 CO 0.19 -3.11 0.50 1.58 -1.46 0.00 0.00 175.22 172.92 2e8m n HIS 19 N 10.17 -0.23 -4.38 10.12 -0.00 -1.26 -5.16 115.22 124.47 2e8m n HIS 19 Ca 0.23 -0.29 -0.24 0.00 0.46 0.00 0.00 57.72 57.88 2e8m n HIS 19 Cb 0.46 0.52 -0.11 0.00 -0.12 0.00 0.00 29.99 30.75 2e8m n HIS 19 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2e8m s VAL 20 N 0.01 2.09 0.52 3.57 -7.23 -1.26 -5.13 120.40 112.97 2e8m s VAL 20 Ca 0.01 -2.05 -0.20 0.00 -1.81 0.00 0.00 61.98 57.93 2e8m s VAL 20 Cb 0.05 -2.02 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 2e8m s VAL 20 CO -0.01 -0.28 1.14 -2.16 -0.31 0.00 0.00 175.10 173.48 2e8m s PRO 21 N -2.91 3.47 -0.39 4.82 0.04 -1.26 -4.99 135.00 133.78 2e8m s PRO 21 Ca 0.20 1.66 0.06 0.00 0.04 0.00 0.00 61.00 62.95 2e8m s PRO 21 Cb -0.06 -2.11 0.30 0.00 0.04 0.00 0.00 34.50 32.67 2e8m s PRO 21 CO 0.09 -0.77 1.24 2.89 0.04 0.00 0.00 177.00 180.49 2e8m n ARG 22 N -1.08 0.77 -3.12 4.56 1.85 -1.26 -5.14 116.66 113.24 2e8m n ARG 22 Ca 0.10 -1.47 -0.39 0.00 -1.00 0.00 0.00 57.85 55.10 2e8m n ARG 22 Cb 0.50 -0.42 -0.05 0.00 -1.05 0.00 0.00 32.46 31.44 2e8m n ARG 22 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2e8m s GLN 23 N 0.17 4.41 -0.38 2.89 -0.21 -1.26 -4.99 119.66 120.29 2e8m s GLN 23 Ca 0.19 0.77 0.11 0.00 0.02 0.00 0.00 55.36 56.44 2e8m s GLN 23 Cb 0.29 -3.44 0.32 0.00 1.00 0.00 0.00 33.01 31.18 2e8m s GLN 23 CO -0.09 0.11 0.68 0.09 -2.12 0.00 0.00 175.29 173.96 2e8m n ASN 24 N 3.68 0.65 -4.83 5.90 3.02 -1.26 -5.11 115.26 117.30 2e8m n ASN 24 Ca -0.03 -2.93 -0.29 0.00 -0.03 0.00 0.00 54.58 51.30 2e8m n ASN 24 Cb 0.51 -0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 39.02 2e8m n ASN 24 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2e8m s VAL 25 N -2.10 4.80 0.87 2.41 -7.23 -1.26 -5.11 120.40 112.78 2e8m s VAL 25 Ca 0.39 -0.76 -0.11 0.00 -1.81 0.00 0.00 61.98 59.68 2e8m s VAL 25 Cb 0.30 -3.38 0.11 0.00 0.56 0.00 0.00 36.38 33.98 2e8m s VAL 25 CO -0.09 0.04 1.09 -2.16 -0.31 0.00 0.00 175.10 173.67 2e8m s PRO 26 N -2.72 1.48 -0.02 4.82 0.04 -1.26 -4.95 135.00 132.39 2e8m s PRO 26 Ca 0.32 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 2e8m s PRO 26 Cb -0.12 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2e8m s PRO 26 CO 0.24 -2.11 1.53 0.08 0.04 0.00 0.00 177.00 176.79 2e8m s VAL 27 N -2.93 3.59 0.23 -0.36 1.01 -1.26 -5.00 120.40 115.68 2e8m s VAL 27 Ca 0.63 0.88 -0.18 0.00 0.00 0.00 0.00 61.98 63.30 2e8m s VAL 27 Cb -0.18 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 2e8m s VAL 27 CO 0.57 -0.04 0.71 -0.63 0.00 0.00 0.00 175.10 175.71 2e8m s ILE 28 N 3.15 4.62 0.05 2.22 -1.09 -1.26 -5.08 121.20 123.82 2e8m s ILE 28 Ca 0.68 1.17 -0.19 0.00 -2.23 0.00 0.00 60.65 60.08 2e8m s ILE 28 Cb -0.33 -3.80 0.04 0.00 -1.58 0.00 0.00 42.46 36.79 2e8m s ILE 28 CO 0.28 0.14 0.44 0.20 -1.23 0.00 0.00 174.94 174.76 2e8m s ASN 29 N -1.78 -0.32 0.13 3.58 0.01 -1.26 -5.00 114.94 110.30 2e8m s ASN 29 Ca 0.44 0.02 0.06 0.00 -0.71 0.00 0.00 52.86 52.67 2e8m s ASN 29 Cb -0.15 0.45 -0.04 0.00 0.41 0.00 0.00 41.25 41.91 2e8m s ASN 29 CO 0.20 -0.70 -0.13 0.27 -1.51 0.00 0.00 177.10 175.23 2e8m s ILE 30 N -2.59 1.30 0.39 0.60 -4.36 -1.26 -4.99 121.20 110.29 2e8m s ILE 30 Ca -0.05 -1.78 0.05 0.00 -0.26 0.00 0.00 60.65 58.61 2e8m s ILE 30 Cb -0.01 -1.58 -0.02 0.00 1.25 0.00 0.00 42.46 42.10 2e8m s ILE 30 CO -0.03 -0.48 0.18 0.42 0.24 0.00 0.00 174.94 175.27 2e8m s THR 31 N -2.35 0.37 -0.01 8.37 -4.23 -1.26 -4.88 115.64 111.65 2e8m s THR 31 Ca 0.10 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.92 2e8m s THR 31 Cb -0.04 -2.38 0.32 0.00 1.34 0.00 0.00 72.50 71.75 2e8m s THR 31 CO 0.03 0.00 1.92 1.88 -0.54 0.00 0.00 174.62 177.91 2e8m h TYR 32 N 1.89 0.00 -0.80 3.99 0.05 -1.95 -2.48 116.97 117.68 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 1.60 0.00 -0.48 -0.25 -1.05 0.00 0.00 178.16 177.99 2e8m n ASP 33 N -2.66 5.47 -5.00 3.88 9.92 -1.26 -3.22 116.55 123.69 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 -3.24 5.65 0.22 -2.24 0.01 -0.93 -5.00 113.70 108.17 2e8m s SER 34 Ca 0.54 -0.26 -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 -0.77 0.41 0.42 0.41 0.00 0.00 173.24 173.74 2e8m s THR 35 N -2.41 5.19 -1.18 1.44 -4.23 -1.26 -3.19 115.64 110.00 2e8m s THR 35 Ca 0.53 -0.40 0.14 0.00 -1.18 0.00 0.00 61.69 60.79 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 -0.23 1.43 -0.81 -0.54 0.00 0.00 174.62 174.81 2e8m n PRO 36 N -0.85 0.09 -0.00 3.99 -0.04 -1.26 -2.27 135.00 134.65 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 -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 -4.01 120.64 117.35 2e8m n GLU 37 Ca 0.05 0.11 -0.20 0.00 0.66 0.00 0.00 57.16 57.78 2e8m n GLU 37 Cb 0.15 -1.70 -0.11 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 0.77 -0.90 4.31 5.19 -1.83 -3.27 116.42 120.69 2e8m h ASP 38 Ca -0.22 -0.69 0.08 0.00 -0.62 0.00 0.00 57.03 55.58 2e8m h ASP 38 Cb 1.62 -0.24 -0.06 0.00 0.18 0.00 0.00 39.33 40.83 2e8m h ASP 38 CO 0.03 1.50 0.58 0.58 -3.12 0.00 0.00 179.24 178.82 2e8m h VAL 39 N 0.26 1.02 -0.66 -1.35 2.07 -1.71 -1.41 116.25 114.46 2e8m h VAL 39 Ca -0.16 -0.33 0.12 0.00 0.82 0.00 0.00 66.70 67.16 2e8m h VAL 39 Cb 1.83 -0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 31.49 2e8m h VAL 39 CO 0.22 0.18 0.21 0.50 0.02 0.00 0.00 177.57 178.69 2e8m h LYS 40 N 0.96 0.35 -0.06 1.57 3.64 -1.72 -0.52 116.57 120.79 2e8m h LYS 40 Ca 0.40 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.54 2e8m h LYS 40 Cb 0.30 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2e8m h LYS 40 CO -0.16 0.23 -0.86 1.15 -2.27 0.00 0.00 179.45 177.53 2e8m h THR 41 N 0.36 1.35 -0.52 1.00 2.02 -1.49 -2.86 112.91 112.76 2e8m h THR 41 Ca 0.35 -2.22 0.05 0.00 0.77 0.00 0.00 66.41 65.36 2e8m h THR 41 Cb 0.51 2.23 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 2e8m h THR 41 CO -0.39 0.68 0.34 -0.25 0.37 0.00 0.00 175.52 176.27 2e8m h TRP 42 N 0.34 0.50 0.05 3.16 7.01 -0.24 0.20 115.95 126.97 2e8m h TRP 42 Ca -0.07 0.01 -0.23 0.00 2.11 0.00 0.00 58.89 60.72 2e8m h TRP 42 Cb 1.48 -0.17 0.02 0.00 -2.10 0.00 0.00 29.16 28.40 2e8m h TRP 42 CO 0.07 0.28 -0.91 -0.07 -2.79 0.00 0.00 178.44 175.02 2e8m h LEU 43 N 0.51 0.72 -0.34 0.65 3.38 -1.11 -3.16 115.31 115.95 2e8m h LEU 43 Ca 0.22 -0.79 -0.05 0.00 0.09 0.00 0.00 57.88 57.35 2e8m h LEU 43 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2e8m h LEU 43 CO -0.06 1.43 0.02 1.56 0.09 0.00 0.00 178.44 181.48 2e8m h GLN 44 N 0.10 0.58 -0.31 1.13 4.20 -1.17 -2.08 115.11 117.56 2e8m h GLN 44 Ca -0.13 -0.17 0.07 0.00 0.06 0.00 0.00 58.65 58.48 2e8m h GLN 44 Cb 1.61 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 29.26 2e8m h GLN 44 CO 0.18 0.69 -0.14 1.03 -0.67 0.00 0.00 178.83 179.92 2e8m h SER 45 N 0.40 -0.46 -0.09 1.46 0.87 -0.72 0.10 113.55 115.11 2e8m h SER 45 Ca 0.10 0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.80 2e8m h SER 45 Cb 0.41 0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2e8m h SER 45 CO 0.01 -0.17 0.08 0.11 -0.53 0.00 0.00 176.83 176.34 2e8m h LYS 46 N -0.09 0.00 0.00 2.24 1.79 -1.51 -3.46 116.57 115.55 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 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2e8m h LYS 46 CO -0.36 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.42 2e8m n GLY 47 N -1.43 0.80 3.90 3.86 0.00 0.36 -5.11 105.19 107.57 2e8m n GLY 47 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2e8m n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e8m s PHE 48 N -1.59 3.54 0.79 1.61 0.08 -0.80 -5.03 117.98 116.58 2e8m s PHE 48 Ca 0.00 0.46 -0.15 0.00 0.12 0.00 0.00 56.93 57.36 2e8m s PHE 48 Cb 0.00 -1.92 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 2e8m s PHE 48 CO 0.00 0.58 0.63 0.27 -0.10 0.00 0.00 175.22 176.60 2e8m n ASN 49 N 0.69 -0.96 0.18 1.36 6.94 -1.26 -4.66 115.26 117.56 2e8m n ASN 49 Ca -0.08 0.53 0.03 0.00 -0.02 0.00 0.00 54.58 55.05 2e8m n ASN 49 Cb 0.52 -1.27 0.34 0.00 -2.36 0.00 0.00 39.78 37.01 2e8m n ASN 49 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2e8m h PRO 50 N -0.74 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 64.68 2e8m h PRO 50 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2e8m h PRO 50 CO 0.41 0.41 -0.01 0.28 -0.23 0.00 0.00 178.00 178.86 2e8m h VAL 51 N 0.00 0.35 0.05 1.56 2.07 -2.00 -1.18 116.25 117.10 2e8m h VAL 51 Ca -0.00 -0.06 -0.33 0.00 0.82 0.00 0.00 66.70 67.12 2e8m h VAL 51 Cb 0.80 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 2e8m h VAL 51 CO 0.05 0.01 -1.85 0.41 0.02 0.00 0.00 177.57 176.21 2e8m n THR 52 N -3.57 1.63 0.32 2.57 -1.04 -1.08 -3.64 114.28 109.47 2e8m n THR 52 Ca -0.03 -0.38 0.21 0.00 -2.04 0.00 0.00 64.05 61.81 2e8m n THR 52 Cb 0.10 -1.83 1.08 0.00 -1.82 0.00 0.00 70.33 67.85 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 -0.46 0.06 0.19 12.58 2.07 -1.36 0.27 116.25 129.60 2e8m h VAL 53 Ca -0.45 -0.13 -0.29 0.00 0.82 0.00 0.00 66.70 66.65 2e8m h VAL 53 Cb 1.70 1.12 0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2e8m h VAL 53 CO -0.11 0.01 -1.34 0.78 0.02 0.00 0.00 177.57 176.93 2e8m h ASN 54 N 0.00 0.61 1.02 0.57 2.35 -1.38 -1.16 115.58 117.59 2e8m h ASN 54 Ca -0.00 -0.92 -0.18 0.00 -0.55 0.00 0.00 56.30 54.65 2e8m h ASN 54 Cb 0.12 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2e8m h ASN 54 CO 0.00 1.62 -0.86 -1.28 -1.65 0.00 0.00 177.43 175.26 2e8m h SER 55 N -0.09 0.00 -0.35 5.81 0.87 -1.48 -3.24 113.55 115.06 2e8m h SER 55 Ca -0.25 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.23 2e8m h SER 55 Cb 1.94 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.85 2e8m h SER 55 CO 0.18 0.86 0.02 0.18 -0.53 0.00 0.00 176.83 177.55 2e8m n LEU 56 N -3.40 4.27 -1.06 2.23 4.77 0.89 -4.46 117.00 120.25 2e8m n LEU 56 Ca 0.00 -3.25 0.10 0.00 -0.03 0.00 0.00 56.01 52.84 2e8m n LEU 56 Cb 0.86 -0.60 0.21 0.00 -2.33 0.00 0.00 43.42 41.56 2e8m n LEU 56 CO 0.45 0.85 0.68 0.61 -1.33 0.00 0.00 177.39 178.65 2e8m n GLY 57 N -0.64 1.85 0.00 -0.72 0.00 -0.44 -4.27 105.19 100.98 2e8m n GLY 57 Ca 0.27 -0.66 0.01 0.00 0.00 0.00 0.00 46.02 45.65 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 1.31 0.00 -3.33 1.61 0.24 -1.26 -4.53 118.33 112.38 2e8m n VAL 58 Ca 0.18 -0.20 -0.38 0.00 -2.04 0.00 0.00 64.34 61.90 2e8m n VAL 58 Cb 0.56 0.64 -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 -2.82 4.45 0.81 1.34 1.43 -1.26 -4.70 118.68 117.93 2e8m s LEU 59 Ca -0.00 1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 54.07 2e8m s LEU 59 Cb 0.02 -2.79 0.08 0.00 0.03 0.00 0.00 46.19 43.53 2e8m s LEU 59 CO 0.12 0.21 1.09 0.54 0.23 0.00 0.00 176.35 178.54 2e8m s ASN 60 N -0.62 4.34 0.36 2.29 2.20 -1.26 -4.23 114.94 118.02 2e8m s ASN 60 Ca 0.28 1.43 0.12 0.00 -0.94 0.00 0.00 52.86 53.74 2e8m s ASN 60 Cb -0.18 -2.16 0.91 0.00 -2.00 0.00 0.00 41.25 37.82 2e8m s ASN 60 CO 0.16 -2.08 1.81 1.23 -2.94 0.00 0.00 177.10 175.28 2e8m h GLY 61 N -1.16 1.33 0.99 0.45 0.00 -1.69 -0.35 103.07 102.63 2e8m h GLY 61 Ca -0.47 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 2e8m h GLY 61 CO 0.57 -0.03 -0.25 0.00 0.00 0.00 0.00 176.54 176.84 2e8m h ALA 62 N 1.62 -0.69 -0.01 3.60 0.00 -1.61 0.66 119.26 122.83 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 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2e8m h ALA 62 CO -0.28 -0.88 0.01 1.96 0.00 0.00 0.00 179.25 180.06 2e8m h GLN 63 N -0.71 0.01 -0.92 0.00 1.08 -1.68 -2.49 115.11 110.40 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 0.54 -0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.90 2e8m h GLN 63 CO 0.12 0.02 0.60 1.25 -0.95 0.00 0.00 178.83 179.86 2e8m h LEU 64 N 0.00 0.88 -1.99 1.46 6.46 -1.05 0.10 115.31 121.17 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 0.01 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.77 2e8m h LEU 64 CO -0.00 0.53 -0.08 -0.26 -0.62 0.00 0.00 178.44 178.01 2e8m h PHE 65 N 0.97 0.00 -0.00 1.25 -1.00 -0.44 -2.12 116.94 115.60 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 0.33 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 2e8m h PHE 65 CO -0.00 0.08 -0.81 1.03 -1.61 0.00 0.00 178.31 177.00 2e8m h SER 66 N 0.00 0.11 -3.66 2.17 0.87 -0.40 -3.44 113.55 109.19 2e8m h SER 66 Ca -0.00 -0.09 -0.51 0.00 -1.23 0.00 0.00 61.79 59.96 2e8m h SER 66 Cb 0.32 -0.03 0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2e8m h SER 66 CO 0.01 0.87 0.53 -0.76 -0.53 0.00 0.00 176.83 176.95 2e8m s LEU 67 N -7.34 4.49 0.00 2.23 1.43 -0.80 -5.04 118.68 113.66 2e8m s LEU 67 Ca -0.01 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 2e8m s LEU 67 Cb 0.11 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2e8m s LEU 67 CO 0.80 -0.29 0.02 -0.46 0.23 0.00 0.00 176.35 176.66 2e8m n ASN 68 N 1.76 1.01 -0.17 2.29 0.23 -1.26 -4.78 115.26 114.34 2e8m n ASN 68 Ca 0.02 -1.10 0.23 0.00 -0.53 0.00 0.00 54.58 53.20 2e8m n ASN 68 Cb 0.44 -0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.77 2e8m n ASN 68 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2e8m h LYS 69 N 0.00 0.15 0.07 -3.83 3.64 -1.94 0.24 116.57 114.90 2e8m h LYS 69 Ca -0.02 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2e8m h LYS 69 Cb 0.07 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2e8m h LYS 69 CO 0.03 0.10 -0.03 0.22 -2.27 0.00 0.00 179.45 177.50 2e8m h ASP 70 N 0.16 -0.08 -0.63 4.20 1.82 -1.94 -2.42 116.42 117.52 2e8m h ASP 70 Ca 0.41 -0.01 0.12 0.00 -0.39 0.00 0.00 57.03 57.15 2e8m h ASP 70 Cb 1.35 0.02 -0.09 0.00 0.68 0.00 0.00 39.33 41.29 2e8m h ASP 70 CO -0.07 0.41 0.15 -0.33 -1.61 0.00 0.00 179.24 177.79 2e8m h GLU 71 N -1.03 0.27 -0.14 0.28 4.39 -1.82 0.14 114.58 116.67 2e8m h GLU 71 Ca -0.01 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 2e8m h GLU 71 Cb 0.09 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2e8m h GLU 71 CO 0.02 0.18 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.72 2e8m h LEU 72 N 0.28 0.25 -0.85 1.33 3.38 -0.69 -2.10 115.31 116.91 2e8m h LEU 72 Ca 0.34 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 2e8m h LEU 72 Cb 0.51 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2e8m h LEU 72 CO -0.42 0.51 -0.35 -0.09 0.09 0.00 0.00 178.44 178.19 2e8m h ARG 73 N 0.23 0.00 0.25 1.13 2.43 -0.32 -1.77 114.38 116.33 2e8m h ARG 73 Ca 0.04 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.87 2e8m h ARG 73 Cb 0.58 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.16 2e8m h ARG 73 CO 0.04 0.35 -1.47 1.79 -1.51 0.00 0.00 179.97 179.17 2e8m h THR 74 N 0.00 1.29 -0.09 0.20 1.35 -0.34 -3.33 112.91 111.99 2e8m h THR 74 Ca -0.00 -2.70 -0.18 0.00 -0.55 0.00 0.00 66.41 62.97 2e8m h THR 74 Cb 0.92 3.03 -0.00 0.00 -1.73 0.00 0.00 68.15 70.37 2e8m h THR 74 CO 0.05 0.81 -0.72 1.62 -0.25 0.00 0.00 175.52 177.03 2e8m h VAL 75 N 0.15 1.37 -3.44 6.82 3.04 -1.38 -3.46 116.25 119.35 2e8m h VAL 75 Ca -0.25 -2.11 -0.11 0.00 -1.01 0.00 0.00 66.70 63.22 2e8m h VAL 75 Cb 2.16 2.08 -0.18 0.00 -2.01 0.00 0.00 31.29 33.35 2e8m h VAL 75 CO 0.28 0.64 -0.35 0.00 -1.01 0.00 0.00 177.57 177.12 2e8m h PRO 77 N 3.47 0.00 -0.79 0.00 0.13 -1.81 -2.71 132.00 130.28 2e8m h PRO 77 Ca -0.32 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.67 2e8m h PRO 77 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 2e8m h PRO 77 CO 0.46 0.13 0.18 0.39 -0.23 0.00 0.00 178.00 178.94 2e8m n GLU 78 N -3.32 3.28 0.09 0.86 -0.58 -1.26 -4.50 120.64 115.21 2e8m n GLU 78 Ca -0.00 -2.39 -0.13 0.00 -0.42 0.00 0.00 57.16 54.22 2e8m n GLU 78 Cb 0.35 -2.03 -0.08 0.00 -0.57 0.00 0.00 31.44 29.12 2e8m n GLU 78 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2e8m h GLY 79 N 3.33 -0.16 0.46 0.62 0.00 -1.55 0.13 103.07 105.91 2e8m h GLY 79 Ca 0.18 0.06 0.22 0.00 0.00 0.00 0.00 47.33 47.78 2e8m h GLY 79 CO 0.55 -0.06 0.56 0.00 0.00 0.00 0.00 176.54 177.59 2e8m h ALA 80 N 0.67 2.67 0.17 3.60 0.00 -1.79 0.23 119.26 124.81 2e8m h ALA 80 Ca -0.02 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.54 2e8m h ALA 80 Cb 0.17 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2e8m h ALA 80 CO 0.03 -0.94 -1.64 0.00 0.00 0.00 0.00 179.25 176.70 2e8m h ARG 81 N 0.00 0.35 -0.18 0.00 2.47 -1.76 -3.25 114.38 112.01 2e8m h ARG 81 Ca 0.35 -0.60 -0.04 0.00 -1.26 0.00 0.00 59.98 58.44 2e8m h ARG 81 Cb 1.47 0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 30.01 2e8m h ARG 81 CO -0.00 1.25 -0.03 0.28 0.56 0.00 0.00 179.97 182.02 2e8m h VAL 82 N 0.10 1.28 -0.65 2.04 2.07 0.11 -3.12 116.25 118.07 2e8m h VAL 82 Ca -0.29 -0.98 0.08 0.00 0.82 0.00 0.00 66.70 66.33 2e8m h VAL 82 Cb 2.07 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 33.34 2e8m h VAL 82 CO 0.18 0.29 0.33 0.22 0.02 0.00 0.00 177.57 178.61 2e8m h TYR 83 N 0.07 0.59 -0.03 1.57 3.20 -0.81 0.12 116.97 121.67 2e8m h TYR 83 Ca 0.05 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.95 2e8m h TYR 83 Cb 0.46 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 2e8m h TYR 83 CO 0.05 0.24 0.06 0.66 -1.64 0.00 0.00 178.16 177.53 2e8m h SER 84 N 0.58 0.00 0.79 -2.11 4.64 -1.58 0.23 113.55 116.10 2e8m h SER 84 Ca 0.31 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.56 2e8m h SER 84 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2e8m h SER 84 CO -0.23 0.00 -1.26 0.00 -0.87 0.00 0.00 176.83 174.46 2e8m n GLN 85 N -3.39 0.62 0.01 4.77 1.13 0.30 -4.12 117.38 116.70 2e8m n GLN 85 Ca -0.02 0.14 -0.12 0.00 -1.94 0.00 0.00 57.00 55.06 2e8m n GLN 85 Cb 0.14 -1.79 -0.14 0.00 0.11 0.00 0.00 30.24 28.56 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 -0.86 5.09 2.04 0.21 -3.35 117.51 121.64 2e8m h ILE 86 Ca -0.07 -2.77 0.15 0.00 1.00 0.00 0.00 64.86 63.17 2e8m h ILE 86 Cb 1.25 2.56 -0.06 0.00 -0.74 0.00 0.00 36.82 39.82 2e8m h ILE 86 CO 0.02 0.68 0.56 0.00 0.00 0.00 0.00 178.15 179.40 2e8m h THR 87 N 0.02 0.81 0.00 -0.27 1.03 -0.83 0.27 112.91 113.94 2e8m h THR 87 Ca -0.26 -0.21 -0.06 0.00 -0.01 0.00 0.00 66.41 65.88 2e8m h THR 87 Cb 1.98 0.16 -0.01 0.00 -1.07 0.00 0.00 68.15 69.22 2e8m h THR 87 CO 0.10 0.11 -0.27 1.62 -0.01 0.00 0.00 175.52 177.07 2e8m h VAL 88 N 0.60 0.72 0.08 0.00 3.04 -1.74 -1.71 116.25 117.24 2e8m h VAL 88 Ca 0.43 -1.17 -0.13 0.00 -1.01 0.00 0.00 66.70 64.82 2e8m h VAL 88 Cb 0.78 1.74 0.01 0.00 -2.01 0.00 0.00 31.29 31.82 2e8m h VAL 88 CO -0.18 0.26 -0.57 1.56 -1.01 0.00 0.00 177.57 177.64 2e8m h GLN 89 N 0.00 0.25 -0.54 4.17 1.08 -0.68 -3.14 115.11 116.25 2e8m h GLN 89 Ca -0.00 -0.37 -0.08 0.00 -1.45 0.00 0.00 58.65 56.75 2e8m h GLN 89 Cb 0.72 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.26 2e8m h GLN 89 CO 0.04 1.14 0.03 0.87 -0.95 0.00 0.00 178.83 179.96 2e8m h LYS 90 N -0.46 0.93 0.00 1.46 1.57 -1.24 -2.48 116.57 116.35 2e8m h LYS 90 Ca -0.09 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 2e8m h LYS 90 Cb 1.40 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 2e8m h LYS 90 CO 0.11 0.93 -0.04 0.00 -0.57 0.00 0.00 179.45 179.88 2e8m h ALA 91 N 0.97 1.49 -0.12 3.86 0.00 -1.43 -0.27 119.26 123.77 2e8m h ALA 91 Ca 0.16 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 2e8m h ALA 91 Cb 0.49 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2e8m h ALA 91 CO 0.02 0.05 -0.65 0.00 0.00 0.00 0.00 179.25 178.66 2e8m h ALA 92 N 1.96 0.24 0.10 0.00 0.00 -1.39 -3.38 119.26 116.78 2e8m h ALA 92 Ca -0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2e8m h ALA 92 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2e8m h ALA 92 CO 0.00 0.53 -0.05 -0.07 0.00 0.00 0.00 179.25 179.67 2e8m h LEU 93 N 0.31 -0.11 -7.67 0.00 3.38 -1.24 -3.48 115.31 106.50 2e8m h LEU 93 Ca -0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 2e8m h LEU 93 Cb 1.30 0.03 -0.26 0.00 0.09 0.00 0.00 40.66 41.82 2e8m h LEU 93 CO 0.13 0.16 -0.60 -0.44 0.09 0.00 0.00 178.44 177.79 2e8m s SER 94 N -4.26 -0.06 1.45 -0.43 0.01 -0.17 -5.13 113.70 105.12 2e8m s SER 94 Ca -0.02 0.10 -0.23 0.00 1.31 0.00 0.00 55.95 57.11 2e8m s SER 94 Cb 0.00 0.20 0.38 0.00 0.21 0.00 0.00 66.02 66.81 2e8m s SER 94 CO 0.06 -0.09 0.91 -0.83 0.41 0.00 0.00 173.24 173.69 2e8m s GLY 95 N -0.23 1.39 -0.93 3.44 0.00 -1.26 -4.00 107.32 105.73 2e8m s GLY 95 Ca -0.03 -0.81 -0.24 0.00 0.00 0.00 0.00 44.72 43.63 2e8m s GLY 95 CO 0.00 0.22 1.95 2.56 0.00 0.00 0.00 173.10 177.82 2e8m s PRO 96 N -5.05 2.55 -0.08 2.90 0.04 -1.26 -4.79 135.00 129.31 2e8m s PRO 96 Ca 0.68 -0.38 -0.23 0.00 0.04 0.00 0.00 61.00 61.12 2e8m s PRO 96 Cb -0.13 -5.08 -0.19 0.00 0.04 0.00 0.00 34.50 29.14 2e8m s PRO 96 CO 0.58 -3.44 0.84 0.77 0.04 0.00 0.00 177.00 175.80 2e8m h SER 97 N 11.13 -0.07 -3.48 6.66 0.02 -2.01 -3.50 113.55 122.31 2e8m h SER 97 Ca 0.11 -0.56 0.33 0.00 -0.84 0.00 0.00 61.79 60.83 2e8m h SER 97 Cb 1.00 0.02 -0.11 0.00 0.14 0.00 0.00 62.40 63.44 2e8m h SER 97 CO 1.21 0.61 -0.68 -1.54 -1.14 0.00 0.00 176.83 175.29 2e8m n SER 98 N -4.80 -7.56 0.00 3.07 3.41 -1.26 -5.32 113.62 101.16 2e8m n SER 98 Ca -0.08 0.77 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 2e8m n SER 98 Cb 0.31 -4.00 0.00 0.00 -0.26 0.00 0.00 64.21 60.26 2e8m n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49