#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1w s ASN 2 N 0.00 3.90 -0.49 7.83 2.20 -1.26 -5.04 114.94 122.08 2k1w s ASN 2 Ca 0.00 -0.32 0.06 0.00 -0.94 0.00 0.00 52.86 51.66 2k1w s ASN 2 Cb 0.00 -1.39 0.22 0.00 -2.00 0.00 0.00 41.25 38.08 2k1w s ASN 2 CO 0.00 0.21 0.80 0.00 -2.94 0.00 0.00 177.10 175.17 2k1w n ALA 3 N 3.23 -1.14 -3.34 3.54 0.00 -1.26 -5.11 120.51 116.44 2k1w n ALA 3 Ca -0.18 -1.49 -0.06 0.00 0.00 0.00 0.00 53.44 51.71 2k1w n ALA 3 Cb 0.53 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 2k1w n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k1w s ALA 4 N 0.59 -1.36 0.14 0.00 0.00 -1.26 -5.14 121.76 114.74 2k1w s ALA 4 Ca 0.32 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 2k1w s ALA 4 Cb 0.15 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 2k1w s ALA 4 CO -0.18 -1.23 0.36 -1.21 0.00 0.00 0.00 175.76 173.50 2k1w s GLU 5 N 2.62 3.58 -0.25 0.00 2.02 -1.26 -3.88 118.70 121.54 2k1w s GLU 5 Ca 0.13 -0.16 -0.03 0.00 0.02 0.00 0.00 54.97 54.92 2k1w s GLU 5 Cb -0.15 -2.86 0.08 0.00 0.10 0.00 0.00 34.13 31.30 2k1w s GLU 5 CO -0.17 0.47 0.10 0.08 0.02 0.00 0.00 175.26 175.76 2k1w s VAL 6 N -1.68 0.19 -0.18 2.63 1.01 0.89 -4.43 120.40 118.83 2k1w s VAL 6 Ca 0.40 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2k1w s VAL 6 Cb -0.12 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 2k1w s VAL 6 CO 0.26 -0.53 -0.07 -0.51 0.00 0.00 0.00 175.10 174.25 2k1w s ILE 7 N 1.98 3.36 0.13 2.22 2.07 -1.25 -2.00 121.20 127.71 2k1w s ILE 7 Ca 0.06 -0.52 0.03 0.00 -1.41 0.00 0.00 60.65 58.81 2k1w s ILE 7 Cb -0.16 -2.49 -0.04 0.00 0.13 0.00 0.00 42.46 39.90 2k1w s ILE 7 CO -0.24 0.47 -0.09 0.68 -1.91 0.00 0.00 174.94 173.85 2k1w s VAL 8 N 0.93 0.97 -0.09 4.00 -7.23 -1.19 -3.37 120.40 114.42 2k1w s VAL 8 Ca -0.01 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 2k1w s VAL 8 Cb -0.15 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.01 2k1w s VAL 8 CO 0.00 -0.79 -0.23 -0.31 -0.31 0.00 0.00 175.10 173.46 2k1w s TYR 9 N -3.45 2.40 -0.37 2.82 1.51 0.10 -2.98 117.35 117.38 2k1w s TYR 9 Ca 0.15 -0.95 0.05 0.00 -1.01 0.00 0.00 57.07 55.31 2k1w s TYR 9 Cb 0.04 -1.61 0.54 0.00 -0.11 0.00 0.00 41.96 40.81 2k1w s TYR 9 CO -0.02 -0.38 1.59 0.39 -1.11 0.00 0.00 175.55 176.03 2k1w n GLU 10 N 3.51 2.60 -2.23 -0.62 4.71 -1.11 -3.27 120.64 124.22 2k1w n GLU 10 Ca -0.19 -2.27 0.01 0.00 -0.01 0.00 0.00 57.16 54.70 2k1w n GLU 10 Cb 0.53 -1.94 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 2k1w n GLU 10 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2k1w n HIS 11 N -0.32 -0.15 -1.87 -0.32 -0.00 -1.25 -4.82 115.22 106.50 2k1w n HIS 11 Ca 0.36 -0.11 -0.39 0.00 0.46 0.00 0.00 57.72 58.05 2k1w n HIS 11 Cb 1.23 0.05 0.03 0.00 -0.12 0.00 0.00 29.99 31.18 2k1w n HIS 11 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2k1w s VAL 12 N -2.10 2.25 0.13 3.57 0.11 -0.02 -3.19 120.40 121.15 2k1w s VAL 12 Ca 0.05 0.20 -0.28 0.00 -2.93 0.00 0.00 61.98 59.02 2k1w s VAL 12 Cb -0.00 -3.11 -0.06 0.00 -1.53 0.00 0.00 36.38 31.69 2k1w s VAL 12 CO -0.00 0.01 1.60 -1.13 -3.33 0.00 0.00 175.10 172.25 2k1w h ASN 13 N 1.81 -1.10 -0.50 3.54 -0.73 -1.91 0.29 115.58 116.98 2k1w h ASN 13 Ca -0.51 0.14 -0.31 0.00 1.87 0.00 0.00 56.30 57.50 2k1w h ASN 13 Cb 1.28 0.44 -0.12 0.00 0.27 0.00 0.00 38.32 40.19 2k1w h ASN 13 CO 0.59 -0.41 0.24 2.22 -0.37 0.00 0.00 177.43 179.70 2k1w n PHE 14 N -5.43 1.12 0.00 0.67 -1.74 -1.26 -3.89 117.46 106.93 2k1w n PHE 14 Ca -0.05 -1.76 0.00 0.00 -0.56 0.00 0.00 57.45 55.09 2k1w n PHE 14 Cb 0.35 -1.09 0.00 0.00 1.52 0.00 0.00 39.48 40.25 2k1w n PHE 14 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k1w n GLY 15 N 0.95 0.00 3.53 4.97 0.00 -0.60 -5.18 105.19 108.87 2k1w n GLY 15 Ca 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 2k1w n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1w s GLY 16 N 0.00 -0.08 0.44 -0.02 0.00 0.93 -3.92 107.32 104.67 2k1w s GLY 16 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 44.72 44.45 2k1w s GLY 16 CO 0.00 -0.26 0.71 -1.59 0.00 0.00 0.00 173.10 171.95 2k1w s LYS 17 N -3.88 3.50 -0.14 2.90 0.00 -1.26 -4.92 119.74 115.93 2k1w s LYS 17 Ca 0.10 -0.00 -0.14 0.00 0.00 0.00 0.00 55.97 55.92 2k1w s LYS 17 Cb -0.01 -2.47 0.04 0.00 0.00 0.00 0.00 37.83 35.38 2k1w s LYS 17 CO -0.02 -0.10 0.39 -1.54 0.00 0.00 0.00 175.35 174.08 2k1w s SER 18 N -4.09 -0.40 -0.04 0.03 1.04 -1.26 -2.76 113.70 106.22 2k1w s SER 18 Ca 0.45 0.76 -0.00 0.00 0.48 0.00 0.00 55.95 57.64 2k1w s SER 18 Cb -0.10 0.78 0.03 0.00 0.10 0.00 0.00 66.02 66.83 2k1w s SER 18 CO 0.42 -0.16 0.02 0.72 0.98 0.00 0.00 173.24 175.22 2k1w s PHE 19 N 0.12 0.28 -0.17 5.02 -0.71 -1.16 -4.99 117.98 116.36 2k1w s PHE 19 Ca -0.01 0.05 -0.03 0.00 -1.04 0.00 0.00 56.93 55.90 2k1w s PHE 19 Cb -0.03 -0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 41.30 2k1w s PHE 19 CO 0.01 -0.17 -0.06 0.16 -1.34 0.00 0.00 175.22 173.82 2k1w s ASP 20 N 1.40 4.44 0.13 1.98 -4.77 -1.26 -3.16 116.67 115.44 2k1w s ASP 20 Ca -0.05 -0.27 -0.25 0.00 -3.30 0.00 0.00 52.55 48.68 2k1w s ASP 20 Cb -0.13 -1.73 0.07 0.00 -1.09 0.00 0.00 42.92 40.04 2k1w s ASP 20 CO -0.03 0.10 0.87 0.00 0.70 0.00 0.00 175.17 176.81 2k1w s ALA 21 N 0.77 -1.63 0.71 2.11 0.00 -0.85 -4.86 121.76 118.01 2k1w s ALA 21 Ca -0.02 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2k1w s ALA 21 Cb -0.15 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.61 2k1w s ALA 21 CO 0.02 -0.92 0.00 0.25 0.00 0.00 0.00 175.76 175.11 2k1w n THR 22 N -0.40 0.00 -1.93 0.00 -2.24 -1.25 -0.08 114.28 108.38 2k1w n THR 22 Ca -0.08 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.39 2k1w n THR 22 Cb 0.61 -1.71 -0.04 0.00 -2.10 0.00 0.00 70.33 67.09 2k1w n THR 22 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k1w s SER 23 N -1.00 4.96 0.00 3.42 0.15 -1.26 -3.66 113.70 116.31 2k1w s SER 23 Ca 0.00 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.68 2k1w s SER 23 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2k1w s SER 23 CO 0.00 -2.75 0.00 0.47 1.20 0.00 0.00 173.24 172.16 2k1w n ASP 24 N 14.27 0.00 -4.87 5.45 8.00 -1.26 -5.15 116.55 132.99 2k1w n ASP 24 Ca 0.33 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.52 2k1w n ASP 24 Cb 0.50 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.64 2k1w n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k1w s GLN 25 N -0.70 2.92 0.54 -1.24 -2.07 -1.24 -4.91 119.66 112.95 2k1w s GLN 25 Ca 0.00 0.55 0.40 0.00 -1.82 0.00 0.00 55.36 54.49 2k1w s GLN 25 Cb 0.00 -2.02 1.58 0.00 -1.09 0.00 0.00 33.01 31.48 2k1w s GLN 25 CO 0.00 -1.01 1.72 -1.35 -1.32 0.00 0.00 175.29 173.33 2k1w h PRO 26 N -0.64 0.02 -6.16 9.60 0.11 -2.01 -3.45 132.00 129.48 2k1w h PRO 26 Ca -0.45 -0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.23 2k1w h PRO 26 Cb 1.24 -0.01 0.03 0.00 0.11 0.00 0.00 31.00 32.38 2k1w h PRO 26 CO 0.63 0.02 -0.84 0.41 -0.21 0.00 0.00 178.00 178.01 2k1w n GLY 27 N -1.79 -0.29 3.25 -0.55 0.00 -1.26 -4.90 105.19 99.66 2k1w n GLY 27 Ca 0.32 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 2k1w n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1w s ALA 28 N -3.70 0.01 -0.44 4.61 0.00 -1.26 -3.39 121.76 117.60 2k1w s ALA 28 Ca 0.03 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 2k1w s ALA 28 Cb -0.02 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.82 2k1w s ALA 28 CO 0.82 -0.56 0.41 0.20 0.00 0.00 0.00 175.76 176.63 2k1w s GLY 29 N -2.93 1.94 -0.60 0.00 0.00 -1.22 -4.98 107.32 99.53 2k1w s GLY 29 Ca 0.12 -1.70 -0.13 0.00 0.00 0.00 0.00 44.72 43.01 2k1w s GLY 29 CO -0.05 1.11 0.52 0.99 0.00 0.00 0.00 173.10 175.67 2k1w s ASP 30 N 2.00 6.15 0.16 1.64 1.11 -1.26 -4.18 116.67 122.28 2k1w s ASP 30 Ca 0.09 -2.12 -0.23 0.00 0.18 0.00 0.00 52.55 50.47 2k1w s ASP 30 Cb -0.19 -2.14 0.07 0.00 1.07 0.00 0.00 42.92 41.73 2k1w s ASP 30 CO 0.11 -0.71 0.66 0.21 1.18 0.00 0.00 175.17 176.62 2k1w s ASN 31 N 2.81 -0.48 -0.04 0.27 3.84 -1.26 -5.02 114.94 115.06 2k1w s ASN 31 Ca 0.08 -0.12 -0.09 0.00 0.21 0.00 0.00 52.86 52.95 2k1w s ASN 31 Cb -0.23 0.59 -0.05 0.00 -0.55 0.00 0.00 41.25 41.01 2k1w s ASN 31 CO -0.01 -0.99 0.26 -0.22 -2.79 0.00 0.00 177.10 173.34 2k1w s LEU 32 N -2.75 4.40 0.22 3.21 0.20 -1.26 -4.54 118.68 118.16 2k1w s LEU 32 Ca 0.04 0.63 0.00 0.00 0.69 0.00 0.00 54.13 55.48 2k1w s LEU 32 Cb -0.02 -2.45 0.00 0.00 -0.43 0.00 0.00 46.19 43.29 2k1w s LEU 32 CO -0.09 0.32 0.00 -3.20 -0.29 0.00 0.00 176.35 173.10 2k1w n ASN 33 N 1.58 -6.98 -3.64 3.68 2.85 -1.26 -4.63 115.26 106.85 2k1w n ASN 33 Ca -0.15 0.93 -0.42 0.00 -0.11 0.00 0.00 54.58 54.83 2k1w n ASN 33 Cb 0.53 -3.38 -0.03 0.00 1.24 0.00 0.00 39.78 38.15 2k1w n ASN 33 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2k1w n ASP 34 N 0.61 3.47 -4.75 1.20 8.00 -1.26 -4.00 116.55 119.82 2k1w n ASP 34 Ca 0.00 -2.73 -0.26 0.00 0.71 0.00 0.00 54.79 52.50 2k1w n ASP 34 Cb 0.00 -1.38 0.10 0.00 -0.02 0.00 0.00 41.12 39.81 2k1w n ASP 34 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2k1w s LYS 35 N 4.00 1.83 0.08 -1.24 3.01 -1.26 -4.48 119.74 121.69 2k1w s LYS 35 Ca 0.52 -0.42 -0.37 0.00 -1.01 0.00 0.00 55.97 54.69 2k1w s LYS 35 Cb 0.14 -2.14 -0.17 0.00 -1.01 0.00 0.00 37.83 34.66 2k1w s LYS 35 CO 0.01 -1.48 1.36 1.51 0.51 0.00 0.00 175.35 177.26 2k1w n ILE 36 N -3.06 0.01 -4.25 2.17 3.06 -1.26 -4.82 119.36 111.21 2k1w n ILE 36 Ca 0.10 -0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.21 2k1w n ILE 36 Cb 0.60 -0.86 -0.10 0.00 0.54 0.00 0.00 39.64 39.82 2k1w n ILE 36 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 2k1w s SER 37 N 0.56 1.74 -0.15 9.51 0.01 -1.26 -0.84 113.70 123.27 2k1w s SER 37 Ca 0.84 -1.02 0.01 0.00 1.31 0.00 0.00 55.95 57.09 2k1w s SER 37 Cb -0.94 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 65.29 2k1w s SER 37 CO 0.47 -0.35 -0.17 -0.55 0.41 0.00 0.00 173.24 173.05 2k1w s SER 38 N -3.16 3.51 -0.26 2.44 0.15 -1.19 -4.08 113.70 111.11 2k1w s SER 38 Ca 0.17 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.34 2k1w s SER 38 Cb 0.03 -1.53 0.06 0.00 -1.71 0.00 0.00 66.02 62.87 2k1w s SER 38 CO 0.00 0.08 -0.10 -0.63 1.20 0.00 0.00 173.24 173.80 2k1w s ILE 39 N 0.81 2.06 -0.27 6.45 1.09 -0.90 0.01 121.20 130.45 2k1w s ILE 39 Ca -0.06 -1.58 -0.02 0.00 -1.10 0.00 0.00 60.65 57.89 2k1w s ILE 39 Cb -0.15 -2.20 0.09 0.00 -1.06 0.00 0.00 42.46 39.13 2k1w s ILE 39 CO -0.00 -0.05 0.09 -0.75 -0.10 0.00 0.00 174.94 174.12 2k1w s LYS 40 N 1.15 0.52 -0.02 2.79 2.36 -1.22 -1.87 119.74 123.45 2k1w s LYS 40 Ca -0.08 -0.73 -0.15 0.00 -2.55 0.00 0.00 55.97 52.46 2k1w s LYS 40 Cb -0.20 -1.77 0.02 0.00 -1.05 0.00 0.00 37.83 34.83 2k1w s LYS 40 CO -0.05 -0.90 0.32 0.08 1.55 0.00 0.00 175.35 176.35 2k1w s VAL 41 N 1.83 0.05 -0.46 4.02 1.01 -1.25 -3.89 120.40 121.71 2k1w s VAL 41 Ca 0.07 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2k1w s VAL 41 Cb -0.17 -0.61 0.14 0.00 0.00 0.00 0.00 36.38 35.74 2k1w s VAL 41 CO -0.24 -0.24 0.28 -0.75 0.00 0.00 0.00 175.10 174.15 2k1w s LYS 42 N -1.21 1.34 -0.31 2.72 2.36 -1.26 -2.39 119.74 120.99 2k1w s LYS 42 Ca -0.13 -2.14 -0.02 0.00 -2.55 0.00 0.00 55.97 51.14 2k1w s LYS 42 Cb -0.05 -2.30 0.19 0.00 -1.05 0.00 0.00 37.83 34.62 2k1w s LYS 42 CO 0.04 -1.20 0.82 -1.54 1.55 0.00 0.00 175.35 175.02 2k1w s SER 43 N 0.15 -1.01 0.57 1.43 1.04 -1.26 -4.80 113.70 109.81 2k1w s SER 43 Ca 0.20 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2k1w s SER 43 Cb -0.19 1.57 0.00 0.00 0.10 0.00 0.00 66.02 67.50 2k1w s SER 43 CO -0.04 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2k1w n GLY 44 N 5.03 1.74 3.47 7.32 0.00 -1.25 -4.50 105.19 116.99 2k1w n GLY 44 Ca 0.07 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 2k1w n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k1w s THR 45 N 0.00 2.62 0.00 2.61 -4.23 -1.11 -3.29 115.64 112.24 2k1w s THR 45 Ca 0.00 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 2k1w s THR 45 Cb 0.00 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.57 2k1w s THR 45 CO 0.00 -0.09 -0.05 0.26 -0.54 0.00 0.00 174.62 174.20 2k1w s TRP 46 N -1.62 0.44 -0.44 3.99 0.51 -0.99 0.06 118.94 120.89 2k1w s TRP 46 Ca 0.21 -0.13 -0.18 0.00 -2.12 0.00 0.00 56.10 53.88 2k1w s TRP 46 Cb -0.08 -0.28 0.03 0.00 -0.81 0.00 0.00 33.47 32.32 2k1w s TRP 46 CO 0.11 -0.02 0.49 1.03 -0.51 0.00 0.00 176.95 178.06 2k1w s ARG 47 N -0.30 3.12 -0.03 4.98 3.00 -0.59 -1.93 118.95 127.21 2k1w s ARG 47 Ca 0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 55.73 54.82 2k1w s ARG 47 Cb -0.03 -4.00 -0.05 0.00 0.00 0.00 0.00 34.95 30.87 2k1w s ARG 47 CO -0.00 -0.94 0.39 -0.06 0.00 0.00 0.00 175.30 174.69 2k1w s PHE 48 N 2.28 3.69 -0.28 -0.53 0.08 0.11 -2.86 117.98 120.45 2k1w s PHE 48 Ca 0.13 0.94 -0.16 0.00 0.12 0.00 0.00 56.93 57.97 2k1w s PHE 48 Cb -0.17 -2.30 0.09 0.00 -0.57 0.00 0.00 43.02 40.06 2k1w s PHE 48 CO 0.14 0.58 0.71 1.52 -0.10 0.00 0.00 175.22 178.06 2k1w s TYR 49 N -0.82 -1.05 -1.20 0.36 -0.85 -0.96 -0.17 117.35 112.66 2k1w s TYR 49 Ca 0.23 2.08 -0.06 0.00 -0.52 0.00 0.00 57.07 58.80 2k1w s TYR 49 Cb -0.16 0.63 0.22 0.00 0.38 0.00 0.00 41.96 43.03 2k1w s TYR 49 CO 0.12 -0.52 1.86 0.39 -1.52 0.00 0.00 175.55 175.88 2k1w n GLU 50 N 4.33 4.32 -3.20 -3.49 1.02 -1.26 -1.95 120.64 120.42 2k1w n GLU 50 Ca -0.20 -3.96 0.00 0.00 -0.02 0.00 0.00 57.16 52.98 2k1w n GLU 50 Cb 0.58 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 2k1w n GLU 50 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2k1w n TYR 51 N 2.16 0.00 -1.50 -0.32 4.01 -0.56 -4.65 117.16 116.30 2k1w n TYR 51 Ca 0.41 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.80 2k1w n TYR 51 Cb 0.32 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.44 2k1w n TYR 51 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2k1w s ILE 52 N -2.99 2.03 0.62 -0.72 1.10 -1.24 -4.49 121.20 115.52 2k1w s ILE 52 Ca 0.00 0.02 0.33 0.00 -0.51 0.00 0.00 60.65 60.49 2k1w s ILE 52 Cb 0.00 -2.78 0.38 0.00 0.15 0.00 0.00 42.46 40.20 2k1w s ILE 52 CO 0.00 -0.01 2.18 0.78 -2.11 0.00 0.00 174.94 175.79 2k1w h ASN 53 N -0.01 0.00 -2.10 4.50 -0.26 -1.96 -2.76 115.58 112.99 2k1w h ASN 53 Ca -0.49 0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 54.70 2k1w h ASN 53 Cb 1.32 0.00 -0.41 0.00 -1.06 0.00 0.00 38.32 38.17 2k1w h ASN 53 CO 0.50 0.00 -0.85 0.00 -1.06 0.00 0.00 177.43 176.02 2k1w n TYR 54 N -3.50 2.63 0.00 1.19 4.11 -1.26 -4.85 117.16 115.47 2k1w n TYR 54 Ca -0.01 -3.84 0.00 0.00 -0.00 0.00 0.00 57.90 54.05 2k1w n TYR 54 Cb 0.21 -0.44 0.00 0.00 -0.00 0.00 0.00 39.34 39.12 2k1w n TYR 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k1w n GLY 55 N -0.08 -1.49 2.82 -7.48 0.00 -1.04 -5.19 105.19 92.73 2k1w n GLY 55 Ca 0.29 0.48 -0.06 0.00 0.00 0.00 0.00 46.02 46.72 2k1w n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1w n GLY 56 N 0.00 1.19 3.57 -0.02 0.00 -1.24 -3.65 105.19 105.04 2k1w n GLY 56 Ca 0.00 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 2k1w n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k1w s ARG 57 N -2.06 3.37 -0.06 1.61 3.00 -1.26 -4.98 118.95 118.56 2k1w s ARG 57 Ca 0.12 0.20 -0.30 0.00 -1.00 0.00 0.00 55.73 54.75 2k1w s ARG 57 Cb -0.04 -4.09 -0.02 0.00 0.00 0.00 0.00 34.95 30.80 2k1w s ARG 57 CO 0.08 -1.88 1.06 -0.47 0.00 0.00 0.00 175.30 174.10 2k1w s TYR 58 N 5.51 3.46 -0.29 5.12 5.04 -1.26 -3.93 117.35 131.00 2k1w s TYR 58 Ca 0.44 1.50 0.02 0.00 -2.44 0.00 0.00 57.07 56.59 2k1w s TYR 58 Cb -0.09 -3.25 0.17 0.00 0.35 0.00 0.00 41.96 39.14 2k1w s TYR 58 CO 0.23 -0.53 0.45 -0.46 -1.34 0.00 0.00 175.55 173.90 2k1w s TRP 59 N 1.81 -1.19 0.08 4.97 -0.00 0.76 -5.00 118.94 120.36 2k1w s TRP 59 Ca 0.52 0.58 0.00 0.00 -0.00 0.00 0.00 56.10 57.20 2k1w s TRP 59 Cb -0.21 -0.01 -0.04 0.00 -0.00 0.00 0.00 33.47 33.21 2k1w s TRP 59 CO 0.22 -0.98 0.23 0.16 -0.00 0.00 0.00 176.95 176.57 2k1w s ASP 60 N 2.62 6.36 0.10 5.86 -4.77 -1.26 0.04 116.67 125.61 2k1w s ASP 60 Ca 0.10 0.26 -0.12 0.00 -3.30 0.00 0.00 52.55 49.49 2k1w s ASP 60 Cb -0.12 -1.95 0.01 0.00 -1.09 0.00 0.00 42.92 39.77 2k1w s ASP 60 CO -0.28 0.15 0.28 -1.48 0.70 0.00 0.00 175.17 174.54 2k1w s LEU 61 N -2.65 0.99 0.00 2.11 0.05 -0.81 -4.94 118.68 113.43 2k1w s LEU 61 Ca 0.35 -0.51 0.00 0.00 0.05 0.00 0.00 54.13 54.02 2k1w s LEU 61 Cb -0.13 1.37 0.00 0.00 -2.05 0.00 0.00 46.19 45.39 2k1w s LEU 61 CO 0.28 -0.78 0.00 0.61 -0.55 0.00 0.00 176.35 175.91 2k1w n GLY 62 N -0.12 -0.57 3.58 -3.48 0.00 -1.26 -2.34 105.19 101.00 2k1w n GLY 62 Ca -0.16 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 2k1w n GLY 62 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k1w s PRO 63 N -1.46 3.32 0.02 1.61 0.04 -1.21 -4.84 135.00 132.47 2k1w s PRO 63 Ca 0.00 0.65 -0.28 0.00 0.04 0.00 0.00 61.00 61.41 2k1w s PRO 63 Cb 0.00 -4.12 0.10 0.00 0.04 0.00 0.00 34.50 30.51 2k1w s PRO 63 CO 0.00 -1.90 0.88 0.20 0.04 0.00 0.00 177.00 176.22 2k1w s GLY 64 N 4.68 -0.46 -0.08 0.56 0.00 -1.01 -4.92 107.32 106.10 2k1w s GLY 64 Ca 0.57 0.92 -0.01 0.00 0.00 0.00 0.00 44.72 46.20 2k1w s GLY 64 CO 0.27 0.30 -0.04 1.85 0.00 0.00 0.00 173.10 175.48 2k1w s GLU 65 N -3.17 2.93 0.16 2.90 -6.30 -1.26 -3.78 118.70 110.18 2k1w s GLU 65 Ca 0.05 -0.50 -0.22 0.00 -2.50 0.00 0.00 54.97 51.80 2k1w s GLU 65 Cb -0.01 -2.69 0.07 0.00 0.00 0.00 0.00 34.13 31.49 2k1w s GLU 65 CO -0.08 0.63 0.60 1.52 0.02 0.00 0.00 175.26 177.94 2k1w s TYR 66 N -0.71 -0.50 -0.40 5.30 1.13 -0.78 -5.01 117.35 116.39 2k1w s TYR 66 Ca 0.11 0.27 0.05 0.00 -1.41 0.00 0.00 57.07 56.09 2k1w s TYR 66 Cb -0.11 0.55 0.17 0.00 -1.10 0.00 0.00 41.96 41.46 2k1w s TYR 66 CO 0.02 -0.86 0.49 0.45 -2.51 0.00 0.00 175.55 173.14 2k1w s SER 67 N -2.76 0.04 0.84 -0.18 0.15 -1.26 -2.11 113.70 108.41 2k1w s SER 67 Ca 0.02 -1.41 -0.09 0.00 0.70 0.00 0.00 55.95 55.16 2k1w s SER 67 Cb -0.01 1.10 0.15 0.00 -1.71 0.00 0.00 66.02 65.55 2k1w s SER 67 CO -0.12 -0.20 1.16 -0.44 1.20 0.00 0.00 173.24 174.84 2k1w s SER 68 N 1.44 3.80 0.00 5.45 0.01 -1.26 -5.00 113.70 118.15 2k1w s SER 68 Ca 0.19 0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.52 2k1w s SER 68 Cb -0.09 -0.31 0.01 0.00 0.21 0.00 0.00 66.02 65.84 2k1w s SER 68 CO -0.05 -2.26 0.69 0.55 0.41 0.00 0.00 173.24 172.58 2k1w n VAL 69 N -3.31 0.00 0.00 3.43 3.14 -1.26 -4.13 118.33 116.19 2k1w n VAL 69 Ca 0.14 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 2k1w n VAL 69 Cb 0.60 0.20 0.00 0.00 -1.06 0.00 0.00 33.84 33.58 2k1w n VAL 69 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2k1w n GLU 70 N 0.01 0.00 -0.47 1.45 0.28 -1.26 -4.92 120.64 115.73 2k1w n GLU 70 Ca -0.08 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 56.96 2k1w n GLU 70 Cb 0.59 0.00 0.22 0.00 1.43 0.00 0.00 31.44 33.67 2k1w n GLU 70 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k1w n SER 71 N 0.00 3.50 -0.53 -1.84 2.88 -1.26 -3.67 113.62 112.70 2k1w n SER 71 Ca 0.00 -2.49 0.02 0.00 -1.33 0.00 0.00 58.87 55.08 2k1w n SER 71 Cb 0.00 -0.59 0.03 0.00 -0.75 0.00 0.00 64.21 62.90 2k1w n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k1w n ALA 72 N 0.34 2.13 -1.17 -1.46 0.00 -1.26 -5.07 120.51 114.02 2k1w n ALA 72 Ca 0.15 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 52.08 2k1w n ALA 72 Cb 0.75 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2k1w n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1w n GLY 73 N -0.24 -4.15 2.20 0.00 0.00 -1.24 -4.96 105.19 96.80 2k1w n GLY 73 Ca 0.04 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 2k1w n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k1w n ILE 74 N -1.08 -0.36 -0.06 -0.61 5.41 -1.26 -4.89 119.36 116.51 2k1w n ILE 74 Ca 0.00 -4.30 -0.04 0.00 1.00 0.00 0.00 62.75 59.41 2k1w n ILE 74 Cb 0.04 -0.85 -0.01 0.00 -0.71 0.00 0.00 39.64 38.11 2k1w n ILE 74 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2k1w n PRO 75 N 0.71 0.36 -3.47 0.38 -0.02 -1.26 -4.82 135.00 126.87 2k1w n PRO 75 Ca 0.23 0.47 0.02 0.00 -2.02 0.00 0.00 63.50 62.20 2k1w n PRO 75 Cb 0.61 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.54 2k1w n PRO 75 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2k1w s ASP 76 N -5.29 -0.15 -1.41 2.55 -4.77 -1.26 -4.58 116.67 101.76 2k1w s ASP 76 Ca -0.12 0.22 -0.09 0.00 -3.30 0.00 0.00 52.55 49.27 2k1w s ASP 76 Cb 0.02 1.11 -0.08 0.00 -1.09 0.00 0.00 42.92 42.88 2k1w s ASP 76 CO 0.18 -0.03 2.72 -3.20 0.70 0.00 0.00 175.17 175.53 2k1w n ASN 77 N 3.79 7.64 -4.77 2.11 5.15 -1.26 -4.46 115.26 123.47 2k1w n ASN 77 Ca -0.13 -2.50 -0.36 0.00 -0.60 0.00 0.00 54.58 51.00 2k1w n ASN 77 Cb 0.56 -1.42 -0.08 0.00 -0.53 0.00 0.00 39.78 38.31 2k1w n ASN 77 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2k1w s SER 78 N 2.53 6.17 -1.45 1.20 0.15 -1.26 -4.44 113.70 116.61 2k1w s SER 78 Ca 0.61 0.29 -0.06 0.00 0.70 0.00 0.00 55.95 57.49 2k1w s SER 78 Cb 0.16 -2.05 0.04 0.00 -1.71 0.00 0.00 66.02 62.46 2k1w s SER 78 CO -0.05 0.26 0.68 -0.38 1.20 0.00 0.00 173.24 174.94 2k1w n ILE 79 N 2.99 -2.98 -2.86 6.45 2.08 -1.26 -3.54 119.36 120.24 2k1w n ILE 79 Ca -0.17 -0.32 -0.40 0.00 0.56 0.00 0.00 62.75 62.41 2k1w n ILE 79 Cb 0.53 -2.90 -0.05 0.00 -0.75 0.00 0.00 39.64 36.46 2k1w n ILE 79 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2k1w s SER 80 N -3.99 7.41 0.11 4.38 0.01 -1.26 -1.49 113.70 118.87 2k1w s SER 80 Ca 0.25 1.68 -0.25 0.00 1.31 0.00 0.00 55.95 58.94 2k1w s SER 80 Cb -0.13 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.63 2k1w s SER 80 CO 0.86 0.05 0.62 -0.44 0.41 0.00 0.00 173.24 174.73 2k1w s SER 81 N -0.41 -0.59 -0.30 2.44 0.01 -0.82 -3.45 113.70 110.59 2k1w s SER 81 Ca 0.41 0.15 -0.12 0.00 1.31 0.00 0.00 55.95 57.71 2k1w s SER 81 Cb -0.23 0.58 0.12 0.00 0.21 0.00 0.00 66.02 66.71 2k1w s SER 81 CO 0.27 -0.89 0.67 0.72 0.41 0.00 0.00 173.24 174.42 2k1w s PHE 82 N -3.19 -1.27 0.04 2.43 -0.71 -1.22 -2.26 117.98 111.81 2k1w s PHE 82 Ca -0.02 2.26 -0.19 0.00 -1.04 0.00 0.00 56.93 57.94 2k1w s PHE 82 Cb -0.01 0.76 -0.06 0.00 -1.21 0.00 0.00 43.02 42.50 2k1w s PHE 82 CO -0.08 -0.63 0.55 1.03 -1.34 0.00 0.00 175.22 174.75 2k1w s ARG 83 N 2.59 4.19 -0.21 1.99 1.81 -1.14 -4.52 118.95 123.66 2k1w s ARG 83 Ca -0.07 0.69 -0.07 0.00 -1.72 0.00 0.00 55.73 54.56 2k1w s ARG 83 Cb -0.10 -3.26 -0.03 0.00 -0.45 0.00 0.00 34.95 31.10 2k1w s ARG 83 CO -0.19 0.58 0.05 -0.65 -0.68 0.00 0.00 175.30 174.40 2k1w s GLN 84 N -0.87 3.74 0.00 3.54 1.11 -1.26 -1.54 119.66 124.38 2k1w s GLN 84 Ca 0.29 -0.45 0.25 0.00 0.01 0.00 0.00 55.36 55.45 2k1w s GLN 84 Cb -0.19 -3.22 0.36 0.00 -1.01 0.00 0.00 33.01 28.96 2k1w s GLN 84 CO 0.18 0.01 1.36 -0.89 0.01 0.00 0.00 175.29 175.95