#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8s s ALA 2 N 0.00 4.01 0.42 3.52 0.00 -1.25 -4.79 121.76 123.67 2k8s s ALA 2 Ca 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 51.96 48.75 2k8s s ALA 2 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 2k8s s ALA 2 CO 0.00 -2.27 0.64 -1.54 0.00 0.00 0.00 175.76 172.59 2k8s s SER 3 N 2.39 6.01 0.06 0.00 1.04 -1.26 -4.59 113.70 117.34 2k8s s SER 3 Ca 0.17 0.38 -0.17 0.00 0.48 0.00 0.00 55.95 56.80 2k8s s SER 3 Cb -0.12 -1.74 -0.06 0.00 0.10 0.00 0.00 66.02 64.19 2k8s s SER 3 CO -0.07 -0.56 0.52 -1.59 0.98 0.00 0.00 173.24 172.51 2k8s s LYS 4 N -4.49 4.09 -0.16 4.02 -2.85 -1.26 -0.78 119.74 118.31 2k8s s LYS 4 Ca 0.46 0.61 0.01 0.00 -1.00 0.00 0.00 55.97 56.05 2k8s s LYS 4 Cb -0.10 -3.19 0.01 0.00 -2.06 0.00 0.00 37.83 32.49 2k8s s LYS 4 CO 0.38 0.63 -0.19 0.00 0.10 0.00 0.00 175.35 176.28 2k8s s ALA 5 N -1.15 2.37 -0.41 0.59 0.00 0.68 -3.24 121.76 120.60 2k8s s ALA 5 Ca 0.29 -1.12 -0.18 0.00 0.00 0.00 0.00 51.96 50.95 2k8s s ALA 5 Cb -0.18 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.81 2k8s s ALA 5 CO 0.17 -0.13 0.48 0.42 0.00 0.00 0.00 175.76 176.71 2k8s s ILE 6 N 0.97 5.03 -0.86 0.00 -1.09 0.47 -1.14 121.20 124.59 2k8s s ILE 6 Ca -0.03 -0.14 -0.21 0.00 -2.23 0.00 0.00 60.65 58.04 2k8s s ILE 6 Cb -0.15 -4.05 0.10 0.00 -1.58 0.00 0.00 42.46 36.78 2k8s s ILE 6 CO -0.04 -0.41 1.13 0.12 -1.23 0.00 0.00 174.94 174.51 2k8s s PHE 7 N 2.30 2.87 -0.23 3.97 5.36 0.84 0.26 117.98 133.36 2k8s s PHE 7 Ca 0.15 -1.02 -0.13 0.00 -0.96 0.00 0.00 56.93 54.97 2k8s s PHE 7 Cb -0.16 -4.36 -0.04 0.00 -0.34 0.00 0.00 43.02 38.12 2k8s s PHE 7 CO 0.15 -1.62 0.29 -0.47 -1.46 0.00 0.00 175.22 172.10 2k8s s TYR 8 N 3.52 3.32 0.33 10.12 6.14 0.36 -0.48 117.35 140.67 2k8s s TYR 8 Ca 0.32 0.40 -0.04 0.00 0.64 0.00 0.00 57.07 58.39 2k8s s TYR 8 Cb -0.08 -2.42 0.00 0.00 0.42 0.00 0.00 41.96 39.88 2k8s s TYR 8 CO -0.03 -0.02 0.47 -3.38 0.64 0.00 0.00 175.55 173.23 2k8s s HIS 9 N 1.36 0.99 -0.05 4.97 -3.43 -0.47 0.21 115.29 118.86 2k8s s HIS 9 Ca 0.13 -1.24 0.07 0.00 -0.80 0.00 0.00 55.06 53.22 2k8s s HIS 9 Cb -0.14 -0.05 0.10 0.00 -1.43 0.00 0.00 32.58 31.06 2k8s s HIS 9 CO 0.07 -1.12 0.99 0.00 -2.00 0.00 0.00 174.74 172.68 2k8s n ALA 10 N -0.54 1.96 -0.29 -1.38 0.00 -1.26 -0.61 120.51 118.39 2k8s n ALA 10 Ca 0.01 -1.52 0.00 0.00 0.00 0.00 0.00 53.44 51.92 2k8s n ALA 10 Cb 0.62 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2k8s n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k8s n GLY 11 N -0.58 0.77 3.72 0.00 0.00 -1.26 -4.45 105.19 103.38 2k8s n GLY 11 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2k8s n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8s h PRO 13 N 6.88 0.00 0.00 0.00 0.11 -1.97 0.12 132.00 137.14 2k8s h PRO 13 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2k8s h PRO 13 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2k8s h PRO 13 CO 0.92 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 180.04 2k8s n VAL 14 N -3.57 0.87 0.37 3.15 0.24 -1.26 -2.01 118.33 116.12 2k8s n VAL 14 Ca 0.07 0.27 0.12 0.00 -2.04 0.00 0.00 64.34 62.76 2k8s n VAL 14 Cb 0.67 -1.19 0.13 0.00 -1.47 0.00 0.00 33.84 31.97 2k8s n VAL 14 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k8s h VAL 16 N 0.00 0.48 -0.22 0.00 2.07 -1.55 0.15 116.25 117.19 2k8s h VAL 16 Ca 0.00 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 2k8s h VAL 16 Cb 0.86 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2k8s h VAL 16 CO 0.00 0.05 -0.42 0.77 0.02 0.00 0.00 177.57 177.99 2k8s h SER 17 N -0.84 0.57 -0.74 0.57 4.64 -1.73 -2.32 113.55 113.69 2k8s h SER 17 Ca -0.07 -0.26 0.01 0.00 -0.47 0.00 0.00 61.79 61.01 2k8s h SER 17 Cb 0.57 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 2k8s h SER 17 CO 0.11 0.92 0.49 0.00 -0.87 0.00 0.00 176.83 177.48 2k8s h ALA 18 N 1.11 1.48 -0.40 5.18 0.00 -1.55 -0.18 119.26 124.90 2k8s h ALA 18 Ca 0.03 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2k8s h ALA 18 Cb 0.92 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2k8s h ALA 18 CO 0.08 0.48 -0.29 1.49 0.00 0.00 0.00 179.25 181.01 2k8s h GLU 19 N 1.00 0.86 0.00 0.00 4.81 -0.41 0.38 114.58 121.22 2k8s h GLU 19 Ca 0.28 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2k8s h GLU 19 Cb -0.10 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2k8s h GLU 19 CO -0.06 1.04 0.00 1.04 -0.73 0.00 0.00 179.01 180.29 2k8s n GLN 20 N -4.08 0.17 0.01 1.92 6.02 -0.62 -1.83 117.38 118.98 2k8s n GLN 20 Ca -0.01 0.03 -0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2k8s n GLN 20 Cb 0.49 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.24 2k8s n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k8s n ALA 21 N -1.41 2.73 -0.03 -1.58 0.00 -0.18 -4.54 120.51 115.51 2k8s n ALA 21 Ca 0.09 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 2k8s n ALA 21 Cb 0.28 0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.71 2k8s n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k8s h VAL 22 N -0.03 1.37 0.00 0.00 2.07 -0.45 -0.23 116.25 118.98 2k8s h VAL 22 Ca 0.00 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2k8s h VAL 22 Cb 0.03 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2k8s h VAL 22 CO 0.00 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.92 2k8s n ALA 23 N -2.38 2.10 0.01 1.67 0.00 -0.87 -2.12 120.51 118.92 2k8s n ALA 23 Ca -0.07 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 2k8s n ALA 23 Cb 0.30 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.24 2k8s n ALA 23 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2k8s h ASN 24 N 0.00 0.17 0.11 0.00 -0.73 -1.07 -3.38 115.58 110.68 2k8s h ASN 24 Ca 0.00 -0.32 -0.01 0.00 1.87 0.00 0.00 56.30 57.84 2k8s h ASN 24 Cb 0.34 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.87 2k8s h ASN 24 CO 0.00 1.28 -0.05 0.00 -0.37 0.00 0.00 177.43 178.29 2k8s h ALA 25 N 0.69 -0.15 -2.03 1.57 0.00 -0.49 -3.39 119.26 115.46 2k8s h ALA 25 Ca -0.28 -0.13 -0.63 0.00 0.00 0.00 0.00 54.91 53.87 2k8s h ALA 25 Cb 2.00 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.72 2k8s h ALA 25 CO 0.10 -0.47 0.38 0.42 0.00 0.00 0.00 179.25 179.68 2k8s s ILE 26 N -5.23 4.62 0.27 0.00 1.01 -1.02 -5.04 121.20 115.81 2k8s s ILE 26 Ca -0.15 0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 2k8s s ILE 26 Cb 0.04 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2k8s s ILE 26 CO 0.64 -0.76 0.49 1.51 0.00 0.00 0.00 174.94 176.83 2k8s s ASP 27 N 2.20 6.39 0.00 3.58 -4.77 -1.26 -4.80 116.67 118.01 2k8s s ASP 27 Ca 0.30 0.54 0.11 0.00 -3.30 0.00 0.00 52.55 50.20 2k8s s ASP 27 Cb -0.12 -2.07 0.57 0.00 -1.09 0.00 0.00 42.92 40.21 2k8s s ASP 27 CO 0.23 -0.16 1.23 -2.65 0.70 0.00 0.00 175.17 174.51 2k8s n PRO 28 N -1.04 0.19 0.10 2.11 -0.02 -1.23 -2.08 135.00 133.03 2k8s n PRO 28 Ca -0.03 0.15 -0.21 0.00 -2.02 0.00 0.00 63.50 61.39 2k8s n PRO 28 Cb 0.54 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.37 2k8s n PRO 28 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2k8s h SER 29 N 0.00 0.62 0.02 2.55 0.02 -2.01 -3.38 113.55 111.38 2k8s h SER 29 Ca 0.00 -0.75 -0.03 0.00 -0.84 0.00 0.00 61.79 60.17 2k8s h SER 29 Cb 0.09 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2k8s h SER 29 CO 0.00 1.61 -0.14 0.50 -1.14 0.00 0.00 176.83 177.65 2k8s h LYS 30 N 0.11 0.06 -4.90 3.45 3.64 -1.82 -3.46 116.57 113.64 2k8s h LYS 30 Ca -0.25 -0.09 -0.32 0.00 -1.27 0.00 0.00 60.65 58.71 2k8s h LYS 30 Cb 2.09 0.03 -0.20 0.00 -0.41 0.00 0.00 32.23 33.74 2k8s h LYS 30 CO 0.22 1.02 -0.74 0.71 -2.27 0.00 0.00 179.45 178.38 2k8s s TYR 31 N -2.34 0.95 -0.98 1.91 2.02 -0.95 -3.78 117.35 114.16 2k8s s TYR 31 Ca -0.18 -0.55 -0.23 0.00 -0.37 0.00 0.00 57.07 55.74 2k8s s TYR 31 Cb -0.02 -0.54 0.01 0.00 -0.40 0.00 0.00 41.96 41.01 2k8s s TYR 31 CO 0.72 -0.02 1.68 0.99 -1.57 0.00 0.00 175.55 177.34 2k8s s THR 32 N -1.74 3.72 -0.66 -0.71 2.01 0.04 -3.48 115.64 114.81 2k8s s THR 32 Ca -0.02 -0.63 -0.27 0.00 0.31 0.00 0.00 61.69 61.07 2k8s s THR 32 Cb -0.07 -4.61 0.03 0.00 0.01 0.00 0.00 72.50 67.86 2k8s s THR 32 CO 0.01 -1.51 1.21 -0.69 -0.69 0.00 0.00 174.62 172.95 2k8s s VAL 33 N 7.23 3.90 -0.27 3.82 1.01 -1.26 -0.23 120.40 134.60 2k8s s VAL 33 Ca 0.57 0.56 -0.07 0.00 0.00 0.00 0.00 61.98 63.04 2k8s s VAL 33 Cb -0.03 -4.81 -0.01 0.00 0.00 0.00 0.00 36.38 31.53 2k8s s VAL 33 CO -0.05 -1.60 0.06 -1.61 0.00 0.00 0.00 175.10 171.90 2k8s s GLU 34 N 5.26 3.36 -0.21 2.72 2.02 -0.29 -4.91 118.70 126.65 2k8s s GLU 34 Ca 0.37 -0.67 -0.18 0.00 0.02 0.00 0.00 54.97 54.51 2k8s s GLU 34 Cb -0.08 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 2k8s s GLU 34 CO 0.19 -0.31 0.51 0.42 0.02 0.00 0.00 175.26 176.09 2k8s s ILE 35 N 1.55 5.11 -0.02 -1.63 1.01 -1.26 -0.11 121.20 125.84 2k8s s ILE 35 Ca 0.05 0.92 0.07 0.00 0.00 0.00 0.00 60.65 61.68 2k8s s ILE 35 Cb -0.16 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 2k8s s ILE 35 CO 0.02 0.17 -0.23 -0.69 0.00 0.00 0.00 174.94 174.21 2k8s s VAL 36 N 1.73 1.84 -0.18 2.92 1.01 0.37 -4.94 120.40 123.15 2k8s s VAL 36 Ca 0.23 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2k8s s VAL 36 Cb -0.15 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2k8s s VAL 36 CO 0.09 0.52 -0.09 -2.28 0.00 0.00 0.00 175.10 173.34 2k8s s HIS 37 N -0.50 2.89 -0.02 5.22 2.46 -1.26 -1.37 115.29 122.71 2k8s s HIS 37 Ca 0.08 -0.90 0.11 0.00 0.47 0.00 0.00 55.06 54.82 2k8s s HIS 37 Cb -0.09 -1.99 -0.11 0.00 -0.13 0.00 0.00 32.58 30.25 2k8s s HIS 37 CO -0.00 -0.45 1.21 -0.07 -2.47 0.00 0.00 174.74 172.96 2k8s h LEU 38 N 7.57 0.00 0.00 8.88 3.38 -1.15 -3.35 115.31 130.63 2k8s h LEU 38 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2k8s h LEU 38 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2k8s h LEU 38 CO 0.59 0.79 0.00 0.61 0.09 0.00 0.00 178.44 180.52 2k8s n GLY 39 N 1.34 -0.63 0.00 0.83 0.00 -1.26 -1.64 105.19 103.83 2k8s n GLY 39 Ca -0.02 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.93 2k8s n GLY 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k8s n THR 40 N -0.79 0.00 -3.30 2.61 -1.04 -1.26 -4.98 114.28 105.54 2k8s n THR 40 Ca 0.09 -0.35 -0.06 0.00 -2.04 0.00 0.00 64.05 61.68 2k8s n THR 40 Cb 0.04 0.86 -0.06 0.00 -1.82 0.00 0.00 70.33 69.35 2k8s n THR 40 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k8s s ASP 41 N -1.46 -0.06 0.00 8.00 2.15 -0.65 -4.99 116.67 119.66 2k8s s ASP 41 Ca 0.00 0.14 0.23 0.00 0.43 0.00 0.00 52.55 53.36 2k8s s ASP 41 Cb 0.01 1.32 0.88 0.00 -0.30 0.00 0.00 42.92 44.83 2k8s s ASP 41 CO 0.08 -0.31 1.63 0.29 -0.17 0.00 0.00 175.17 176.69 2k8s n LYS 42 N 5.37 1.67 0.16 4.34 5.02 -1.26 -3.34 118.16 130.14 2k8s n LYS 42 Ca -0.02 -0.99 0.02 0.00 -2.02 0.00 0.00 58.31 55.30 2k8s n LYS 42 Cb 0.50 -1.42 0.28 0.00 -0.02 0.00 0.00 35.03 34.37 2k8s n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k8s h ALA 43 N 4.13 1.11 -0.13 7.82 0.00 -1.94 -2.56 119.26 127.69 2k8s h ALA 43 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k8s h ALA 43 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k8s h ALA 43 CO 0.00 0.60 0.00 0.54 0.00 0.00 0.00 179.25 180.39 2k8s n ARG 44 N -3.83 1.41 -0.18 0.00 1.74 -1.21 -3.67 116.66 110.92 2k8s n ARG 44 Ca -0.01 -0.62 -0.09 0.00 -0.77 0.00 0.00 57.85 56.36 2k8s n ARG 44 Cb 0.52 -1.27 0.01 0.00 -1.02 0.00 0.00 32.46 30.70 2k8s n ARG 44 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2k8s h ILE 45 N 1.16 1.24 -0.02 0.55 1.08 -1.64 0.10 117.51 119.98 2k8s h ILE 45 Ca 0.00 -0.84 -0.08 0.00 -0.39 0.00 0.00 64.86 63.56 2k8s h ILE 45 Cb 0.26 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 2k8s h ILE 45 CO 0.00 0.31 -0.35 0.00 -0.69 0.00 0.00 178.15 177.42 2k8s h ALA 46 N 1.01 1.38 -0.21 1.87 0.00 -1.77 -1.95 119.26 119.60 2k8s h ALA 46 Ca 0.16 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 2k8s h ALA 46 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2k8s h ALA 46 CO 0.00 0.46 -0.45 1.49 0.00 0.00 0.00 179.25 180.75 2k8s h GLU 47 N 0.04 0.52 -0.36 0.00 4.57 -1.61 -2.76 114.58 114.98 2k8s h GLU 47 Ca 0.00 -0.28 -0.07 0.00 -1.18 0.00 0.00 59.36 57.83 2k8s h GLU 47 Cb 0.63 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 2k8s h GLU 47 CO 0.05 0.86 -0.08 0.00 -1.18 0.00 0.00 179.01 178.66 2k8s h ALA 48 N 1.09 1.18 -0.90 2.92 0.00 -0.13 -2.04 119.26 121.39 2k8s h ALA 48 Ca 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2k8s h ALA 48 Cb 0.95 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 2k8s h ALA 48 CO 0.08 0.53 0.59 0.93 0.00 0.00 0.00 179.25 181.38 2k8s h GLU 49 N 0.57 1.12 -0.32 0.00 5.08 -1.10 0.12 114.58 120.06 2k8s h GLU 49 Ca 0.11 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2k8s h GLU 49 Cb 0.48 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2k8s h GLU 49 CO 0.03 0.74 0.07 0.87 -1.00 0.00 0.00 179.01 179.72 2k8s h LYS 50 N 1.16 0.51 0.00 2.33 1.57 -1.18 -2.67 116.57 118.30 2k8s h LYS 50 Ca 0.34 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2k8s h LYS 50 Cb -0.05 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2k8s h LYS 50 CO -0.09 0.59 0.00 0.00 -0.57 0.00 0.00 179.45 179.38 2k8s h ALA 51 N 0.90 1.00 0.00 3.86 0.00 -0.98 -3.46 119.26 120.58 2k8s h ALA 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2k8s h ALA 51 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2k8s h ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2k8s n GLY 52 N 0.19 0.95 3.58 0.00 0.00 -0.13 -4.25 105.19 105.53 2k8s n GLY 52 Ca 0.01 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 2k8s n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k8s s VAL 53 N -2.00 4.06 -0.11 1.61 1.01 0.22 -4.74 120.40 120.44 2k8s s VAL 53 Ca 0.00 0.95 0.21 0.00 0.00 0.00 0.00 61.98 63.13 2k8s s VAL 53 Cb 0.00 -4.70 -0.22 0.00 0.00 0.00 0.00 36.38 31.45 2k8s s VAL 53 CO 0.00 -1.28 0.58 0.29 0.00 0.00 0.00 175.10 174.69 2k8s n LYS 54 N 8.32 0.65 -3.69 2.72 5.02 -1.26 -4.59 118.16 125.32 2k8s n LYS 54 Ca 0.09 -0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.25 2k8s n LYS 54 Cb 0.49 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 2k8s n LYS 54 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2k8s s SER 55 N -5.06 -0.15 0.05 4.39 0.01 -1.26 -0.02 113.70 111.65 2k8s s SER 55 Ca -0.06 -0.41 0.09 0.00 1.31 0.00 0.00 55.95 56.89 2k8s s SER 55 Cb 0.11 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.76 2k8s s SER 55 CO 0.86 -0.83 -0.26 0.68 0.41 0.00 0.00 173.24 174.09 2k8s s VAL 56 N -3.82 2.13 0.53 3.43 -7.23 0.64 -3.89 120.40 112.18 2k8s s VAL 56 Ca 0.04 -1.39 -0.14 0.00 -1.81 0.00 0.00 61.98 58.68 2k8s s VAL 56 Cb 0.02 -1.82 -0.07 0.00 0.56 0.00 0.00 36.38 35.08 2k8s s VAL 56 CO -0.11 0.36 0.96 -2.16 -0.31 0.00 0.00 175.10 173.84 2k8s s PRO 57 N -1.25 3.83 -0.02 4.82 0.04 -1.26 -1.48 135.00 139.69 2k8s s PRO 57 Ca 0.12 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.98 2k8s s PRO 57 Cb -0.10 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.30 2k8s s PRO 57 CO 0.02 -0.31 0.02 0.00 0.04 0.00 0.00 177.00 176.76 2k8s s ALA 58 N -2.73 0.12 -0.53 8.56 0.00 0.13 0.00 121.76 127.32 2k8s s ALA 58 Ca 0.57 0.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.57 2k8s s ALA 58 Cb -0.10 -0.22 0.09 0.00 0.00 0.00 0.00 23.12 22.89 2k8s s ALA 58 CO 0.37 -0.08 0.57 -1.17 0.00 0.00 0.00 175.76 175.45 2k8s s LEU 59 N 0.86 5.46 -0.78 0.00 2.96 0.14 -0.49 118.68 126.84 2k8s s LEU 59 Ca -0.08 -1.31 -0.23 0.00 -0.22 0.00 0.00 54.13 52.29 2k8s s LEU 59 Cb -0.11 -2.30 0.07 0.00 0.50 0.00 0.00 46.19 44.35 2k8s s LEU 59 CO -0.02 -0.89 1.14 -0.69 -1.32 0.00 0.00 176.35 174.56 2k8s s VAL 60 N 2.23 4.19 -0.57 1.68 1.01 0.14 -0.59 120.40 128.49 2k8s s VAL 60 Ca 0.09 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 2k8s s VAL 60 Cb -0.24 -4.81 0.08 0.00 0.00 0.00 0.00 36.38 31.41 2k8s s VAL 60 CO 0.07 -1.63 0.73 -0.63 0.00 0.00 0.00 175.10 173.64 2k8s s ILE 61 N 4.36 4.75 0.00 2.22 1.01 0.70 -0.39 121.20 133.84 2k8s s ILE 61 Ca 0.30 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2k8s s ILE 61 Cb -0.10 -4.45 0.00 0.00 0.01 0.00 0.00 42.46 37.91 2k8s s ILE 61 CO 0.05 -1.06 0.00 0.47 0.00 0.00 0.00 174.94 174.40 2k8s n ASP 62 N 6.53 -1.45 0.00 3.58 9.92 -1.20 -2.19 116.55 131.73 2k8s n ASP 62 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 2k8s n ASP 62 Cb 0.44 -2.04 0.00 0.00 -0.64 0.00 0.00 41.12 38.88 2k8s n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k8s n GLY 63 N -1.47 1.71 3.65 0.44 0.00 -1.26 -5.10 105.19 103.16 2k8s n GLY 63 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2k8s n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8s s ALA 64 N -0.02 3.64 -0.43 4.61 0.00 -0.93 -4.77 121.76 123.86 2k8s s ALA 64 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.69 2k8s s ALA 64 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.82 2k8s s ALA 64 CO 0.00 -0.91 0.67 0.00 0.00 0.00 0.00 175.76 175.52 2k8s s ALA 65 N 2.81 3.35 -0.45 0.00 0.00 -1.26 -0.22 121.76 125.99 2k8s s ALA 65 Ca 0.37 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.05 2k8s s ALA 65 Cb -0.15 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.70 2k8s s ALA 65 CO 0.08 -1.76 0.38 -0.06 0.00 0.00 0.00 175.76 174.40 2k8s s PHE 66 N 2.90 3.23 0.26 0.00 0.08 0.24 -4.85 117.98 119.84 2k8s s PHE 66 Ca 0.24 -0.80 -0.29 0.00 0.12 0.00 0.00 56.93 56.20 2k8s s PHE 66 Cb -0.14 -3.01 -0.09 0.00 -0.57 0.00 0.00 43.02 39.21 2k8s s PHE 66 CO 0.19 -0.74 1.25 -1.01 -0.10 0.00 0.00 175.22 174.81 2k8s s HIS 67 N 1.71 3.27 -0.40 0.36 3.76 -1.26 0.28 115.29 123.01 2k8s s HIS 67 Ca 0.05 1.41 -0.08 0.00 -0.15 0.00 0.00 55.06 56.29 2k8s s HIS 67 Cb -0.22 -3.55 0.08 0.00 1.11 0.00 0.00 32.58 30.00 2k8s s HIS 67 CO 0.08 -1.53 0.22 0.42 -0.85 0.00 0.00 174.74 173.08 2k8s s ILE 68 N -0.59 3.97 0.12 0.60 1.01 0.10 -4.90 121.20 121.51 2k8s s ILE 68 Ca 0.51 -1.48 0.00 0.00 0.00 0.00 0.00 60.65 59.69 2k8s s ILE 68 Cb -0.36 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2k8s s ILE 68 CO 0.44 -0.48 0.00 0.59 0.00 0.00 0.00 174.94 175.48 2k8s n ASN 69 N 4.84 -4.82 -4.29 3.58 3.02 -1.26 -4.11 115.26 112.21 2k8s n ASN 69 Ca -0.09 0.57 -0.41 0.00 -0.03 0.00 0.00 54.58 54.62 2k8s n ASN 69 Cb 0.43 -1.59 -0.10 0.00 -0.61 0.00 0.00 39.78 37.91 2k8s n ASN 69 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2k8s s PHE 70 N -1.00 3.32 0.00 3.10 5.36 -1.26 -4.77 117.98 122.72 2k8s s PHE 70 Ca 0.00 -1.40 0.00 0.00 -0.96 0.00 0.00 56.93 54.57 2k8s s PHE 70 Cb 0.00 -2.89 0.00 0.00 -0.34 0.00 0.00 43.02 39.79 2k8s s PHE 70 CO 0.00 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.36 2k8s n GLY 71 N 4.95 -0.05 2.69 13.12 0.00 -1.20 -4.97 105.19 119.73 2k8s n GLY 71 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 2k8s n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8s s ALA 72 N -3.27 0.32 0.51 4.61 0.00 -0.55 -4.98 121.76 118.40 2k8s s ALA 72 Ca 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.88 2k8s s ALA 72 Cb 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 23.12 22.40 2k8s s ALA 72 CO 0.00 -0.49 1.10 0.20 0.00 0.00 0.00 175.76 176.56 2k8s s GLY 73 N 2.13 2.61 0.54 0.00 0.00 -1.26 -0.26 107.32 111.08 2k8s s GLY 73 Ca 0.05 0.76 0.23 0.00 0.00 0.00 0.00 44.72 45.76 2k8s s GLY 73 CO -0.03 1.11 2.17 1.19 0.00 0.00 0.00 173.10 177.53 2k8s h ILE 74 N 1.39 0.76 -0.80 0.90 2.10 -0.73 -1.96 117.51 119.16 2k8s h ILE 74 Ca -0.50 -0.14 0.03 0.00 1.08 0.00 0.00 64.86 65.33 2k8s h ILE 74 Cb 1.25 1.08 -0.04 0.00 -1.09 0.00 0.00 36.82 38.01 2k8s h ILE 74 CO 0.58 0.04 0.53 -0.78 -1.08 0.00 0.00 178.15 177.44 2k8s h ASP 75 N 0.00 0.88 1.40 2.19 3.58 -1.92 0.61 116.42 123.16 2k8s h ASP 75 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k8s h ASP 75 Cb 0.08 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2k8s h ASP 75 CO 0.00 0.61 0.00 0.44 -2.88 0.00 0.00 179.24 177.42 2k8s h ASP 76 N 1.02 0.00 0.01 2.28 3.32 -1.68 -0.74 116.42 120.64 2k8s h ASP 76 Ca 0.31 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.03 2k8s h ASP 76 Cb -0.02 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.47 2k8s h ASP 76 CO -0.08 0.00 -2.33 0.18 -1.72 0.00 0.00 179.24 175.28 2k8s n LEU 77 N -2.39 0.01 0.08 1.55 4.77 -0.52 -4.51 117.00 115.99 2k8s n LEU 77 Ca 0.05 0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.81 2k8s n LEU 77 Cb 0.41 0.44 -0.15 0.00 -2.33 0.00 0.00 43.42 41.79 2k8s n LEU 77 CO 0.29 0.44 -0.24 0.50 -1.33 0.00 0.00 177.39 177.05 2k8s h LYS 78 N 0.00 0.39 0.00 3.23 3.64 0.23 -3.47 116.57 120.59 2k8s h LYS 78 Ca -0.48 -0.67 -0.43 0.00 -1.27 0.00 0.00 60.65 57.80 2k8s h LYS 78 Cb 2.11 0.25 0.09 0.00 -0.41 0.00 0.00 32.23 34.26 2k8s h LYS 78 CO 0.03 1.32 0.13 0.41 -2.27 0.00 0.00 179.45 179.07 2k8s n GLY 79 N 1.73 0.49 0.65 5.01 0.00 -0.29 -5.07 105.19 107.71 2k8s n GLY 79 Ca -0.19 -2.00 0.13 0.00 0.00 0.00 0.00 46.02 43.96 2k8s n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76