#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 4.92 -0.31 7.83 -0.87 -1.26 -5.07 114.94 120.17 2k1w s ASN 2 Ca 0.00 -0.95 0.18 0.00 -1.57 0.00 0.00 52.86 50.51 2k1w s ASN 2 Cb 0.00 0.01 0.47 0.00 -0.02 0.00 0.00 41.25 41.71 2k1w s ASN 2 CO 0.00 -0.99 1.02 0.00 -2.57 0.00 0.00 177.10 174.56 2k1w n ALA 3 N -1.80 3.44 -2.70 0.60 0.00 -1.26 -4.88 120.51 113.91 2k1w n ALA 3 Ca 0.04 -3.18 -0.08 0.00 0.00 0.00 0.00 53.44 50.22 2k1w n ALA 3 Cb 0.63 -0.85 0.08 0.00 0.00 0.00 0.00 19.45 19.30 2k1w n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k1w n ALA 4 N -0.28 2.10 -3.31 0.00 0.00 -1.26 -5.04 120.51 112.71 2k1w n ALA 4 Ca 0.13 -2.13 -0.10 0.00 0.00 0.00 0.00 53.44 51.35 2k1w n ALA 4 Cb 0.81 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 2k1w n ALA 4 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k1w s GLU 5 N -1.27 0.41 -0.43 0.00 2.02 -1.26 -4.55 118.70 113.62 2k1w s GLU 5 Ca 0.25 0.10 -0.05 0.00 0.02 0.00 0.00 54.97 55.28 2k1w s GLU 5 Cb 0.42 -0.34 0.11 0.00 0.10 0.00 0.00 34.13 34.43 2k1w s GLU 5 CO -0.03 -1.04 0.25 0.08 0.02 0.00 0.00 175.26 174.54 2k1w s VAL 6 N 2.52 3.60 -0.23 2.63 1.01 -1.17 -4.54 120.40 124.23 2k1w s VAL 6 Ca 0.10 -1.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.02 2k1w s VAL 6 Cb -0.12 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2k1w s VAL 6 CO -0.30 -0.72 0.09 -0.51 0.00 0.00 0.00 175.10 173.65 2k1w s ILE 7 N 1.21 4.65 0.10 2.22 2.07 -1.25 -2.86 121.20 127.34 2k1w s ILE 7 Ca 0.07 -0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.27 2k1w s ILE 7 Cb -0.24 -3.16 -0.04 0.00 0.13 0.00 0.00 42.46 39.15 2k1w s ILE 7 CO -0.03 0.36 -0.07 0.68 -1.91 0.00 0.00 174.94 173.97 2k1w s VAL 8 N 1.25 0.73 -0.04 4.00 -7.23 -1.12 -3.39 120.40 114.60 2k1w s VAL 8 Ca 0.05 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 2k1w s VAL 8 Cb -0.14 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.09 2k1w s VAL 8 CO 0.04 -0.85 -0.11 -0.31 -0.31 0.00 0.00 175.10 173.56 2k1w s TYR 9 N -3.60 1.18 -0.35 2.82 1.51 0.36 -2.04 117.35 117.22 2k1w s TYR 9 Ca 0.13 -0.33 0.04 0.00 -1.01 0.00 0.00 57.07 55.89 2k1w s TYR 9 Cb 0.05 -0.84 0.52 0.00 -0.11 0.00 0.00 41.96 41.58 2k1w s TYR 9 CO -0.04 -0.15 1.65 -0.85 -1.11 0.00 0.00 175.55 175.05 2k1w n GLU 10 N 3.40 2.24 -2.76 -0.62 0.28 -1.24 -3.48 120.64 118.45 2k1w n GLU 10 Ca -0.19 -2.27 0.01 0.00 -0.16 0.00 0.00 57.16 54.54 2k1w n GLU 10 Cb 0.53 -1.91 0.01 0.00 1.43 0.00 0.00 31.44 31.50 2k1w n GLU 10 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2k1w n HIS 11 N -0.55 -0.30 -0.68 -1.84 -0.00 -1.26 -4.85 115.22 105.74 2k1w n HIS 11 Ca 0.41 -0.33 -0.28 0.00 0.46 0.00 0.00 57.72 57.98 2k1w n HIS 11 Cb 1.32 0.15 0.23 0.00 -0.12 0.00 0.00 29.99 31.57 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 -2.11 2.05 -0.15 3.57 0.11 -0.48 -2.78 120.40 120.60 2k1w s VAL 12 Ca 0.13 0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2k1w s VAL 12 Cb -0.00 -2.16 0.12 0.00 -1.53 0.00 0.00 36.38 32.80 2k1w s VAL 12 CO -0.00 -0.02 1.90 -3.20 -3.33 0.00 0.00 175.10 170.45 2k1w n ASN 13 N -4.74 5.55 -0.75 3.54 2.85 -1.26 -3.39 115.26 117.06 2k1w n ASN 13 Ca 0.04 -2.70 -0.01 0.00 -0.11 0.00 0.00 54.58 51.80 2k1w n ASN 13 Cb 0.55 -1.02 -0.01 0.00 1.24 0.00 0.00 39.78 40.53 2k1w n ASN 13 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2k1w n PHE 14 N 0.81 0.00 0.00 1.20 3.72 -1.26 -5.01 117.46 116.92 2k1w n PHE 14 Ca 0.15 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2k1w n PHE 14 Cb 0.57 0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 2k1w n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k1w n GLY 15 N 0.07 -1.69 3.73 1.37 0.00 -1.22 -5.19 105.19 102.27 2k1w n GLY 15 Ca -0.05 0.68 -0.08 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.24 -0.06 -0.02 0.00 -1.26 -4.52 107.32 101.23 2k1w s GLY 16 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 44.72 44.47 2k1w s GLY 16 CO 0.00 -0.01 0.61 1.25 0.00 0.00 0.00 173.10 174.95 2k1w s LYS 17 N -3.80 4.37 -0.42 2.90 2.20 -1.26 -4.96 119.74 118.77 2k1w s LYS 17 Ca 0.09 0.72 -0.12 0.00 -0.36 0.00 0.00 55.97 56.30 2k1w s LYS 17 Cb -0.04 -3.41 0.05 0.00 -1.51 0.00 0.00 37.83 32.93 2k1w s LYS 17 CO 0.01 0.20 0.28 -1.54 -0.36 0.00 0.00 175.35 173.94 2k1w s SER 18 N 0.40 5.85 -0.69 1.43 1.04 -1.26 -3.64 113.70 116.82 2k1w s SER 18 Ca 0.32 -1.24 -0.21 0.00 0.48 0.00 0.00 55.95 55.31 2k1w s SER 18 Cb -0.17 -2.07 0.09 0.00 0.10 0.00 0.00 66.02 63.97 2k1w s SER 18 CO 0.16 -0.51 0.94 0.12 0.98 0.00 0.00 173.24 174.93 2k1w s PHE 19 N 1.55 2.83 -0.63 5.02 5.36 -0.87 -4.92 117.98 126.32 2k1w s PHE 19 Ca 0.03 -0.80 -0.08 0.00 -0.96 0.00 0.00 56.93 55.12 2k1w s PHE 19 Cb -0.22 -4.23 0.16 0.00 -0.34 0.00 0.00 43.02 38.40 2k1w s PHE 19 CO 0.06 -1.54 0.50 0.16 -1.46 0.00 0.00 175.22 172.94 2k1w s ASP 20 N 3.65 5.83 0.08 6.13 1.47 -1.26 -2.79 116.67 129.79 2k1w s ASP 20 Ca 0.22 -2.49 -0.26 0.00 1.18 0.00 0.00 52.55 51.19 2k1w s ASP 20 Cb -0.16 -2.01 0.08 0.00 -0.34 0.00 0.00 42.92 40.49 2k1w s ASP 20 CO 0.06 -0.54 0.86 0.00 0.68 0.00 0.00 175.17 176.23 2k1w s ALA 21 N 0.48 -1.71 -0.18 2.11 0.00 -1.14 -4.92 121.76 116.41 2k1w s ALA 21 Ca 0.13 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 2k1w s ALA 21 Cb -0.19 0.57 0.05 0.00 0.00 0.00 0.00 23.12 23.55 2k1w s ALA 21 CO -0.04 -0.83 -0.03 -0.08 0.00 0.00 0.00 175.76 174.78 2k1w s THR 22 N -3.30 1.01 -0.05 0.00 -1.32 -1.26 -3.03 115.64 107.69 2k1w s THR 22 Ca 0.07 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.87 2k1w s THR 22 Cb -0.01 -1.28 0.00 0.00 -1.51 0.00 0.00 72.50 69.69 2k1w s THR 22 CO -0.05 0.01 0.00 -0.24 -2.21 0.00 0.00 174.62 172.13 2k1w n SER 23 N 4.89 0.00 -3.00 8.08 2.88 -1.26 -5.02 113.62 120.19 2k1w n SER 23 Ca -0.11 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.10 2k1w n SER 23 Cb 0.47 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 2k1w n SER 23 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k1w n ASP 24 N 0.03 7.31 -4.87 -3.46 9.92 -1.26 -4.92 116.55 119.30 2k1w n ASP 24 Ca 0.00 -3.12 -0.31 0.00 -0.53 0.00 0.00 54.79 50.83 2k1w n ASP 24 Cb 0.00 -1.32 0.02 0.00 -0.64 0.00 0.00 41.12 39.18 2k1w n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k1w s GLN 25 N -1.17 3.37 -0.27 -1.24 -2.07 -1.26 -4.94 119.66 112.08 2k1w s GLN 25 Ca 0.57 0.69 -0.06 0.00 -1.82 0.00 0.00 55.36 54.74 2k1w s GLN 25 Cb 0.27 -2.06 -0.20 0.00 -1.09 0.00 0.00 33.01 29.93 2k1w s GLN 25 CO -0.14 -0.72 3.42 -0.35 -1.32 0.00 0.00 175.29 176.18 2k1w n PRO 26 N -2.84 2.30 0.00 9.60 -0.04 -1.26 -4.92 135.00 137.84 2k1w n PRO 26 Ca 0.06 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 2k1w n PRO 26 Cb 0.55 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 2k1w n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k1w n GLY 27 N 2.40 2.98 3.14 0.55 0.00 -1.24 -4.72 105.19 108.29 2k1w n GLY 27 Ca 0.48 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 -0.55 0.43 4.61 0.00 -1.26 -4.93 121.76 118.06 2k1w s ALA 28 Ca 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 2k1w s ALA 28 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2k1w s ALA 28 CO 0.00 -0.17 0.67 0.20 0.00 0.00 0.00 175.76 176.46 2k1w s GLY 29 N -0.60 1.45 0.16 0.00 0.00 -1.26 -4.57 107.32 102.50 2k1w s GLY 29 Ca -0.07 -0.79 -0.24 0.00 0.00 0.00 0.00 44.72 43.62 2k1w s GLY 29 CO 0.01 -0.67 0.74 -0.35 0.00 0.00 0.00 173.10 172.84 2k1w s ASP 30 N -4.11 -0.39 0.51 1.64 2.15 -1.26 -4.85 116.67 110.36 2k1w s ASP 30 Ca 0.45 -0.22 -0.05 0.00 0.43 0.00 0.00 52.55 53.16 2k1w s ASP 30 Cb -0.10 0.57 -0.02 0.00 -0.30 0.00 0.00 42.92 43.07 2k1w s ASP 30 CO 0.40 -0.99 0.80 0.20 -0.17 0.00 0.00 175.17 175.41 2k1w s ASN 31 N -2.77 6.01 -0.80 -0.34 0.01 -1.26 -4.76 114.94 111.03 2k1w s ASN 31 Ca 0.06 0.77 -0.25 0.00 -0.71 0.00 0.00 52.86 52.73 2k1w s ASN 31 Cb -0.02 -2.00 -0.09 0.00 0.41 0.00 0.00 41.25 39.55 2k1w s ASN 31 CO -0.05 -0.73 2.20 -0.76 -1.51 0.00 0.00 177.10 176.25 2k1w s LEU 32 N -4.78 3.05 0.00 0.60 1.02 -1.26 -3.81 118.68 113.50 2k1w s LEU 32 Ca 0.49 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.52 2k1w s LEU 32 Cb -0.10 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.56 2k1w s LEU 32 CO 0.44 -3.27 0.00 0.59 0.02 0.00 0.00 176.35 174.13 2k1w n ASN 33 N 16.28 0.00 -3.73 2.29 3.02 -1.26 -4.76 115.26 127.10 2k1w n ASN 33 Ca 0.42 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.68 2k1w n ASN 33 Cb 0.46 0.21 0.01 0.00 -0.61 0.00 0.00 39.78 39.86 2k1w n ASN 33 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2k1w n ASP 34 N -2.04 -4.42 -2.08 6.41 9.92 -1.26 -4.39 116.55 118.69 2k1w n ASP 34 Ca 0.00 -0.66 0.00 0.00 -0.53 0.00 0.00 54.79 53.60 2k1w n ASP 34 Cb 0.00 -3.57 0.00 0.00 -0.64 0.00 0.00 41.12 36.91 2k1w n ASP 34 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2k1w n LYS 35 N -4.32 0.37 -1.56 -1.24 3.00 -1.26 -4.17 118.16 108.99 2k1w n LYS 35 Ca 0.02 0.00 -0.46 0.00 -0.00 0.00 0.00 58.31 57.87 2k1w n LYS 35 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.54 2k1w n LYS 35 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 2k1w n ILE 36 N -1.52 1.76 -4.13 3.15 3.06 -1.26 -4.86 119.36 115.55 2k1w n ILE 36 Ca 0.00 -0.44 -0.10 0.00 -2.50 0.00 0.00 62.75 59.71 2k1w n ILE 36 Cb 0.00 -0.84 -0.10 0.00 0.54 0.00 0.00 39.64 39.24 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 -0.50 0.90 -0.29 9.51 0.01 -1.25 -1.38 113.70 120.71 2k1w s SER 37 Ca 0.62 -0.94 -0.00 0.00 1.31 0.00 0.00 55.95 56.94 2k1w s SER 37 Cb -0.76 0.12 0.05 0.00 0.21 0.00 0.00 66.02 65.64 2k1w s SER 37 CO 0.58 -0.47 -0.04 -0.55 0.41 0.00 0.00 173.24 173.17 2k1w s SER 38 N -2.81 4.74 -0.27 2.44 0.15 -1.12 -4.20 113.70 112.63 2k1w s SER 38 Ca 0.07 -1.33 0.02 0.00 0.70 0.00 0.00 55.95 55.42 2k1w s SER 38 Cb 0.04 -1.66 0.06 0.00 -1.71 0.00 0.00 66.02 62.76 2k1w s SER 38 CO -0.06 -0.24 -0.08 -0.63 1.20 0.00 0.00 173.24 173.44 2k1w s ILE 39 N 1.20 2.34 -0.26 6.45 1.09 -0.95 -0.49 121.20 130.58 2k1w s ILE 39 Ca -0.06 -1.63 -0.03 0.00 -1.10 0.00 0.00 60.65 57.83 2k1w s ILE 39 Cb -0.20 -2.39 0.09 0.00 -1.06 0.00 0.00 42.46 38.89 2k1w s ILE 39 CO -0.03 -0.08 0.10 -0.75 -0.10 0.00 0.00 174.94 174.08 2k1w s LYS 40 N 1.12 0.39 0.04 2.79 2.36 -1.22 -1.78 119.74 123.44 2k1w s LYS 40 Ca -0.07 -0.58 -0.14 0.00 -2.55 0.00 0.00 55.97 52.63 2k1w s LYS 40 Cb -0.20 -1.65 0.02 0.00 -1.05 0.00 0.00 37.83 34.95 2k1w s LYS 40 CO -0.04 -0.89 0.30 0.08 1.55 0.00 0.00 175.35 176.35 2k1w s VAL 41 N 1.94 0.08 -0.40 4.02 1.01 -1.25 -4.07 120.40 121.72 2k1w s VAL 41 Ca 0.06 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2k1w s VAL 41 Cb -0.17 -0.92 0.15 0.00 0.00 0.00 0.00 36.38 35.44 2k1w s VAL 41 CO -0.24 -0.37 0.25 -0.54 0.00 0.00 0.00 175.10 174.20 2k1w s LYS 42 N -2.49 0.91 -0.30 2.72 1.02 -1.26 -2.61 119.74 117.72 2k1w s LYS 42 Ca -0.05 -1.75 -0.02 0.00 0.02 0.00 0.00 55.97 54.17 2k1w s LYS 42 Cb -0.01 -1.71 0.19 0.00 -0.52 0.00 0.00 37.83 35.78 2k1w s LYS 42 CO -0.03 -1.23 0.80 -1.54 -0.92 0.00 0.00 175.35 172.42 2k1w s SER 43 N 0.57 -1.08 0.75 2.83 1.04 -1.26 -4.84 113.70 111.71 2k1w s SER 43 Ca 0.21 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2k1w s SER 43 Cb -0.18 1.65 0.00 0.00 0.10 0.00 0.00 66.02 67.59 2k1w s SER 43 CO -0.04 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2k1w n GLY 44 N 5.16 2.56 3.37 7.32 0.00 -1.24 -4.46 105.19 117.89 2k1w n GLY 44 Ca 0.07 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 2.11 -0.03 2.61 -4.23 -1.07 -3.55 115.64 111.48 2k1w s THR 45 Ca 0.00 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 58.78 2k1w s THR 45 Cb 0.00 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2k1w s THR 45 CO 0.00 0.00 -0.09 0.26 -0.54 0.00 0.00 174.62 174.25 2k1w s TRP 46 N -1.22 0.95 -0.29 3.99 0.51 -0.95 -0.15 118.94 121.77 2k1w s TRP 46 Ca 0.13 -0.24 -0.15 0.00 -2.12 0.00 0.00 56.10 53.72 2k1w s TRP 46 Cb -0.09 -0.68 -0.03 0.00 -0.81 0.00 0.00 33.47 31.85 2k1w s TRP 46 CO 0.06 -0.11 0.39 1.03 -0.51 0.00 0.00 176.95 177.81 2k1w s ARG 47 N 0.23 3.91 -0.11 4.98 3.00 -0.85 -2.00 118.95 128.12 2k1w s ARG 47 Ca -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 55.73 55.62 2k1w s ARG 47 Cb -0.09 -3.69 -0.03 0.00 0.00 0.00 0.00 34.95 31.13 2k1w s ARG 47 CO 0.01 -0.35 0.02 -0.06 0.00 0.00 0.00 175.30 174.92 2k1w s PHE 48 N 2.10 3.21 -0.28 -0.53 0.08 0.11 -2.40 117.98 120.27 2k1w s PHE 48 Ca 0.15 0.15 -0.17 0.00 0.12 0.00 0.00 56.93 57.18 2k1w s PHE 48 Cb -0.16 -1.88 0.08 0.00 -0.57 0.00 0.00 43.02 40.50 2k1w s PHE 48 CO 0.10 0.38 0.70 1.52 -0.10 0.00 0.00 175.22 177.83 2k1w s TYR 49 N -0.53 -1.04 -1.16 0.36 -0.85 -1.00 -0.16 117.35 112.96 2k1w s TYR 49 Ca 0.10 2.11 -0.05 0.00 -0.52 0.00 0.00 57.07 58.70 2k1w s TYR 49 Cb -0.12 0.61 0.24 0.00 0.38 0.00 0.00 41.96 43.07 2k1w s TYR 49 CO 0.02 -0.51 1.83 0.39 -1.52 0.00 0.00 175.55 175.76 2k1w n GLU 50 N 4.18 4.54 -3.14 -3.49 4.71 -1.26 -1.51 120.64 124.67 2k1w n GLU 50 Ca -0.20 -4.13 0.00 0.00 -0.01 0.00 0.00 57.16 52.82 2k1w n GLU 50 Cb 0.59 -2.62 0.00 0.00 -1.01 0.00 0.00 31.44 28.40 2k1w n GLU 50 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2k1w n TYR 51 N 1.66 0.00 -1.38 -0.32 4.01 -0.27 -4.67 117.16 116.18 2k1w n TYR 51 Ca 0.41 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.80 2k1w n TYR 51 Cb 0.31 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.43 2k1w n TYR 51 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 2k1w n ILE 52 N 1.09 3.11 0.20 -0.72 3.06 -1.24 -4.46 119.36 120.40 2k1w n ILE 52 Ca 0.00 -0.36 0.14 0.00 -2.50 0.00 0.00 62.75 60.03 2k1w n ILE 52 Cb 0.00 -1.20 0.75 0.00 0.54 0.00 0.00 39.64 39.72 2k1w n ILE 52 CO 0.00 0.00 0.00 -1.13 -2.50 0.00 0.00 176.55 172.92 2k1w h ASN 53 N -0.22 0.00 -2.23 9.51 -0.73 -1.97 -2.88 115.58 117.06 2k1w h ASN 53 Ca -0.48 0.00 -0.57 0.00 1.87 0.00 0.00 56.30 57.12 2k1w h ASN 53 Cb 1.33 0.00 -0.42 0.00 0.27 0.00 0.00 38.32 39.50 2k1w h ASN 53 CO 0.48 0.00 -0.75 0.00 -0.37 0.00 0.00 177.43 176.79 2k1w n TYR 54 N -4.20 3.31 0.00 0.67 4.11 -1.26 -4.82 117.16 114.96 2k1w n TYR 54 Ca 0.01 -3.96 0.00 0.00 -0.00 0.00 0.00 57.90 53.94 2k1w n TYR 54 Cb 0.26 -0.48 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 -0.14 -1.51 2.68 -7.48 0.00 -1.09 -5.19 105.19 92.47 2k1w n GLY 55 Ca 0.30 0.48 -0.06 0.00 0.00 0.00 0.00 46.02 46.74 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 1.25 3.57 -0.02 0.00 -1.24 -3.67 105.19 105.08 2k1w n GLY 56 Ca 0.00 -1.18 -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 3.38 -0.03 1.61 3.00 -1.26 -4.98 118.95 118.61 2k1w s ARG 57 Ca 0.12 0.16 -0.30 0.00 -1.00 0.00 0.00 55.73 54.71 2k1w s ARG 57 Cb -0.03 -4.08 -0.03 0.00 0.00 0.00 0.00 34.95 30.81 2k1w s ARG 57 CO 0.08 -1.86 1.03 -0.47 0.00 0.00 0.00 175.30 174.08 2k1w s TYR 58 N 5.40 3.56 -0.29 5.12 5.04 -1.26 -3.92 117.35 131.00 2k1w s TYR 58 Ca 0.43 1.59 0.02 0.00 -2.44 0.00 0.00 57.07 56.67 2k1w s TYR 58 Cb -0.08 -3.20 0.17 0.00 0.35 0.00 0.00 41.96 39.20 2k1w s TYR 58 CO 0.23 -0.31 0.48 -0.46 -1.34 0.00 0.00 175.55 174.14 2k1w s TRP 59 N 1.38 -1.30 0.25 4.97 -0.00 0.77 -5.00 118.94 120.01 2k1w s TRP 59 Ca 0.52 0.72 0.06 0.00 -0.00 0.00 0.00 56.10 57.40 2k1w s TRP 59 Cb -0.22 0.06 -0.03 0.00 -0.00 0.00 0.00 33.47 33.29 2k1w s TRP 59 CO 0.25 -0.98 0.27 0.16 -0.00 0.00 0.00 176.95 176.64 2k1w s ASP 60 N 2.66 5.82 0.15 5.86 -4.77 -1.26 0.10 116.67 125.22 2k1w s ASP 60 Ca 0.11 -0.14 -0.20 0.00 -3.30 0.00 0.00 52.55 49.02 2k1w s ASP 60 Cb -0.12 -1.55 0.05 0.00 -1.09 0.00 0.00 42.92 40.21 2k1w s ASP 60 CO -0.27 -0.07 0.51 -1.48 0.70 0.00 0.00 175.17 174.57 2k1w s LEU 61 N -3.91 -0.13 0.00 2.11 0.05 -0.85 -4.94 118.68 111.02 2k1w s LEU 61 Ca 0.34 -0.17 0.00 0.00 0.05 0.00 0.00 54.13 54.35 2k1w s LEU 61 Cb -0.08 2.26 0.00 0.00 -2.05 0.00 0.00 46.19 46.32 2k1w s LEU 61 CO 0.27 -0.93 0.00 0.61 -0.55 0.00 0.00 176.35 175.74 2k1w n GLY 62 N -0.31 0.67 3.56 -3.48 0.00 -1.26 -2.23 105.19 102.13 2k1w n GLY 62 Ca -0.16 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 2k1w n GLY 62 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2k1w s PRO 63 N -1.17 2.32 0.00 1.61 0.02 -1.23 -4.88 135.00 131.66 2k1w s PRO 63 Ca 0.00 1.55 -0.29 0.00 0.02 0.00 0.00 61.00 62.28 2k1w s PRO 63 Cb 0.00 -4.54 0.10 0.00 0.02 0.00 0.00 34.50 30.08 2k1w s PRO 63 CO 0.00 -3.03 0.88 0.20 -0.33 0.00 0.00 177.00 174.72 2k1w s GLY 64 N 11.38 -0.47 0.03 0.52 0.00 -1.07 -4.96 107.32 112.75 2k1w s GLY 64 Ca 0.98 0.99 0.06 0.00 0.00 0.00 0.00 44.72 46.75 2k1w s GLY 64 CO 0.28 0.33 -0.15 1.85 0.00 0.00 0.00 173.10 175.41 2k1w s GLU 65 N -3.14 2.20 0.10 2.90 -6.30 -1.26 -3.79 118.70 109.41 2k1w s GLU 65 Ca 0.05 -0.92 -0.25 0.00 -2.50 0.00 0.00 54.97 51.35 2k1w s GLU 65 Cb -0.01 -2.27 0.07 0.00 0.00 0.00 0.00 34.13 31.92 2k1w s GLU 65 CO -0.09 0.55 0.63 1.52 0.02 0.00 0.00 175.26 177.89 2k1w s TYR 66 N -0.95 -0.57 -0.51 5.30 1.13 -0.74 -5.01 117.35 116.01 2k1w s TYR 66 Ca 0.15 0.53 0.06 0.00 -1.41 0.00 0.00 57.07 56.40 2k1w s TYR 66 Cb -0.11 0.52 0.20 0.00 -1.10 0.00 0.00 41.96 41.48 2k1w s TYR 66 CO 0.06 -0.78 0.78 -1.13 -2.51 0.00 0.00 175.55 171.96 2k1w n SER 67 N -0.05 -3.28 -4.60 -0.18 3.41 -1.26 -2.24 113.62 105.41 2k1w n SER 67 Ca -0.17 -2.93 -0.27 0.00 -0.26 0.00 0.00 58.87 55.24 2k1w n SER 67 Cb 0.63 1.74 0.12 0.00 -0.26 0.00 0.00 64.21 66.44 2k1w n SER 67 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k1w s SER 68 N 0.35 4.12 0.00 4.04 0.01 -1.26 -4.90 113.70 116.06 2k1w s SER 68 Ca 0.30 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2k1w s SER 68 Cb 0.05 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.70 2k1w s SER 68 CO -0.09 -2.06 0.51 0.55 0.41 0.00 0.00 173.24 172.56 2k1w n VAL 69 N -3.20 0.00 -1.88 3.43 3.14 -1.26 -3.80 118.33 114.76 2k1w n VAL 69 Ca 0.12 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.50 2k1w n VAL 69 Cb 0.60 0.54 0.00 0.00 -1.06 0.00 0.00 33.84 33.92 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 0.00 0.00 -0.50 1.45 0.28 -1.26 -4.80 120.64 115.82 2k1w n GLU 70 Ca 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 2k1w n GLU 70 Cb 0.55 0.31 0.00 0.00 1.43 0.00 0.00 31.44 33.73 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 0.00 -0.54 -1.84 2.88 -1.26 -4.88 113.62 107.97 2k1w n SER 71 Ca -0.00 -1.38 0.03 0.00 -1.33 0.00 0.00 58.87 56.18 2k1w n SER 71 Cb 0.35 -0.08 0.04 0.00 -0.75 0.00 0.00 64.21 63.77 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 0.00 2.17 -1.82 -1.46 0.00 -1.26 -5.06 120.51 113.08 2k1w n ALA 72 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.85 2k1w n ALA 72 Cb 0.58 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.27 -4.96 2.69 0.00 0.00 -1.26 -4.95 105.19 96.44 2k1w n GLY 73 Ca 0.05 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 1.35 2.98 -0.06 -0.61 5.41 -1.26 -4.86 119.36 122.31 2k1w n ILE 74 Ca 0.00 -5.45 -0.04 0.00 1.00 0.00 0.00 62.75 58.26 2k1w n ILE 74 Cb 0.00 -1.76 -0.01 0.00 -0.71 0.00 0.00 39.64 37.16 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 0.33 0.37 -3.64 0.38 -0.02 -1.26 -4.89 135.00 126.28 2k1w n PRO 75 Ca 0.31 0.48 -0.06 0.00 -2.02 0.00 0.00 63.50 62.21 2k1w n PRO 75 Cb 0.39 -1.53 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 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 -5.35 -0.24 -0.37 2.55 -4.77 -1.26 -4.74 116.67 102.48 2k1w s ASP 76 Ca -0.12 0.45 -0.01 0.00 -3.30 0.00 0.00 52.55 49.56 2k1w s ASP 76 Cb 0.02 0.45 0.26 0.00 -1.09 0.00 0.00 42.92 42.56 2k1w s ASP 76 CO 0.18 -0.09 1.98 -3.20 0.70 0.00 0.00 175.17 174.75 2k1w n ASN 77 N 1.78 6.43 -4.80 2.11 5.15 -1.25 -4.64 115.26 120.04 2k1w n ASN 77 Ca -0.11 -3.17 -0.39 0.00 -0.60 0.00 0.00 54.58 50.32 2k1w n ASN 77 Cb 0.57 -1.02 -0.06 0.00 -0.53 0.00 0.00 39.78 38.74 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 -0.17 7.14 -1.25 1.20 0.15 -1.26 -3.98 113.70 115.52 2k1w s SER 78 Ca 0.36 1.36 -0.09 0.00 0.70 0.00 0.00 55.95 58.28 2k1w s SER 78 Cb 0.29 -2.39 0.07 0.00 -1.71 0.00 0.00 66.02 62.27 2k1w s SER 78 CO -0.00 0.24 0.45 -0.38 1.20 0.00 0.00 173.24 174.75 2k1w n ILE 79 N 1.60 -0.94 -2.89 6.45 2.08 -1.26 -3.74 119.36 120.66 2k1w n ILE 79 Ca -0.09 0.00 -0.40 0.00 0.56 0.00 0.00 62.75 62.83 2k1w n ILE 79 Cb 0.50 -1.76 -0.06 0.00 -0.75 0.00 0.00 39.64 37.58 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 -2.68 7.46 0.08 4.38 0.01 -1.26 -1.12 113.70 120.58 2k1w s SER 80 Ca 0.38 1.73 -0.26 0.00 1.31 0.00 0.00 55.95 59.10 2k1w s SER 80 Cb -0.20 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.56 2k1w s SER 80 CO 0.46 0.14 0.63 -0.44 0.41 0.00 0.00 173.24 174.45 2k1w s SER 81 N -0.89 -0.60 -0.20 2.44 0.01 -0.57 -4.64 113.70 109.26 2k1w s SER 81 Ca 0.39 0.25 -0.12 0.00 1.31 0.00 0.00 55.95 57.78 2k1w s SER 81 Cb -0.24 0.57 0.06 0.00 0.21 0.00 0.00 66.02 66.63 2k1w s SER 81 CO 0.28 -0.84 0.50 0.72 0.41 0.00 0.00 173.24 174.31 2k1w s PHE 82 N -2.84 -0.74 -0.27 2.43 -0.71 -1.26 -2.38 117.98 112.21 2k1w s PHE 82 Ca -0.03 1.54 -0.09 0.00 -1.04 0.00 0.00 56.93 57.32 2k1w s PHE 82 Cb -0.01 0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 42.15 2k1w s PHE 82 CO -0.05 -0.39 0.12 1.03 -1.34 0.00 0.00 175.22 174.59 2k1w s ARG 83 N 1.38 3.65 -0.16 1.99 1.81 -1.01 -3.66 118.95 122.96 2k1w s ARG 83 Ca -0.09 -0.50 -0.20 0.00 -1.72 0.00 0.00 55.73 53.22 2k1w s ARG 83 Cb -0.07 -3.46 -0.03 0.00 -0.45 0.00 0.00 34.95 30.94 2k1w s ARG 83 CO -0.14 -0.24 0.58 -0.65 -0.68 0.00 0.00 175.30 174.17 2k1w s GLN 84 N 1.65 4.27 0.00 3.54 1.11 -1.26 -2.00 119.66 126.97 2k1w s GLN 84 Ca 0.06 0.57 0.24 0.00 0.01 0.00 0.00 55.36 56.24 2k1w s GLN 84 Cb -0.16 -3.52 0.19 0.00 -1.01 0.00 0.00 33.01 28.51 2k1w s GLN 84 CO 0.06 -0.07 1.26 -0.89 0.01 0.00 0.00 175.29 175.65