#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 4.33 -0.40 6.12 0.01 -1.26 -5.06 114.94 118.68 2k1w s ASN 2 Ca 0.00 -0.17 0.09 0.00 -0.71 0.00 0.00 52.86 52.07 2k1w s ASN 2 Cb 0.00 -0.96 0.30 0.00 0.41 0.00 0.00 41.25 41.00 2k1w s ASN 2 CO 0.00 0.32 0.74 0.00 -1.51 0.00 0.00 177.10 176.65 2k1w n ALA 3 N 1.94 1.35 -2.72 0.60 0.00 -1.26 -4.93 120.51 115.49 2k1w n ALA 3 Ca -0.17 -2.90 -0.08 0.00 0.00 0.00 0.00 53.44 50.29 2k1w n ALA 3 Cb 0.52 -0.97 0.10 0.00 0.00 0.00 0.00 19.45 19.11 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 0.79 0.18 -3.15 0.00 0.00 -1.26 -4.74 120.51 112.33 2k1w n ALA 4 Ca 0.19 -1.42 0.04 0.00 0.00 0.00 0.00 53.44 52.25 2k1w n ALA 4 Cb 0.62 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.99 2k1w n ALA 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2k1w s GLU 5 N 0.18 0.56 -0.35 0.00 1.03 -1.26 -4.50 118.70 114.35 2k1w s GLU 5 Ca 0.22 0.54 0.03 0.00 0.03 0.00 0.00 54.97 55.79 2k1w s GLU 5 Cb 0.34 0.25 0.10 0.00 -0.80 0.00 0.00 34.13 34.02 2k1w s GLU 5 CO -0.07 -1.05 0.09 0.08 -1.33 0.00 0.00 175.26 172.98 2k1w s VAL 6 N 2.82 1.95 -0.17 1.83 1.01 0.89 -4.39 120.40 124.35 2k1w s VAL 6 Ca 0.10 -2.23 -0.04 0.00 0.00 0.00 0.00 61.98 59.80 2k1w s VAL 6 Cb -0.10 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2k1w s VAL 6 CO -0.26 -0.65 -0.02 -0.51 0.00 0.00 0.00 175.10 173.67 2k1w s ILE 7 N 0.93 3.99 0.10 2.22 2.07 -1.26 -1.82 121.20 127.43 2k1w s ILE 7 Ca 0.12 -0.32 0.02 0.00 -1.41 0.00 0.00 60.65 59.06 2k1w s ILE 7 Cb -0.19 -2.77 -0.04 0.00 0.13 0.00 0.00 42.46 39.58 2k1w s ILE 7 CO -0.11 0.47 -0.07 0.68 -1.91 0.00 0.00 174.94 174.01 2k1w s VAL 8 N 0.54 0.69 -0.05 4.00 -7.23 -1.19 -3.39 120.40 113.77 2k1w s VAL 8 Ca -0.02 -1.93 0.04 0.00 -1.81 0.00 0.00 61.98 58.26 2k1w s VAL 8 Cb -0.14 -1.68 -0.00 0.00 0.56 0.00 0.00 36.38 35.12 2k1w s VAL 8 CO 0.02 -0.87 -0.18 -0.31 -0.31 0.00 0.00 175.10 173.45 2k1w s TYR 9 N -3.62 1.81 -0.36 2.82 1.51 0.37 -3.10 117.35 116.78 2k1w s TYR 9 Ca 0.12 -0.55 0.05 0.00 -1.01 0.00 0.00 57.07 55.68 2k1w s TYR 9 Cb 0.05 -1.22 0.53 0.00 -0.11 0.00 0.00 41.96 41.21 2k1w s TYR 9 CO -0.05 -0.19 1.62 -0.85 -1.11 0.00 0.00 175.55 174.97 2k1w n GLU 10 N 3.20 2.42 -3.65 -0.62 -0.00 -1.12 -3.52 120.64 117.35 2k1w n GLU 10 Ca -0.18 -2.27 0.03 0.00 -0.00 0.00 0.00 57.16 54.73 2k1w n GLU 10 Cb 0.53 -1.93 0.01 0.00 -0.00 0.00 0.00 31.44 30.05 2k1w n GLU 10 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2k1w n HIS 11 N -0.43 -0.30 -0.70 -1.84 8.25 -1.26 -4.84 115.22 114.09 2k1w n HIS 11 Ca 0.39 -0.58 -0.29 0.00 -0.26 0.00 0.00 57.72 56.98 2k1w n HIS 11 Cb 1.28 0.26 0.22 0.00 1.12 0.00 0.00 29.99 32.87 2k1w n HIS 11 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2k1w s VAL 12 N -2.03 2.09 -0.13 1.59 0.11 -0.48 -2.89 120.40 118.65 2k1w s VAL 12 Ca 0.25 0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 59.33 2k1w s VAL 12 Cb -0.01 -2.17 0.11 0.00 -1.53 0.00 0.00 36.38 32.78 2k1w s VAL 12 CO -0.01 -0.04 1.81 0.59 -3.33 0.00 0.00 175.10 174.13 2k1w n ASN 13 N -4.66 5.19 -0.72 3.54 3.02 -1.26 -3.32 115.26 117.05 2k1w n ASN 13 Ca 0.05 -2.61 -0.01 0.00 -0.03 0.00 0.00 54.58 51.98 2k1w n ASN 13 Cb 0.54 -0.97 -0.01 0.00 -0.61 0.00 0.00 39.78 38.73 2k1w n ASN 13 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2k1w n PHE 14 N 0.79 0.00 0.00 3.10 3.72 -1.26 -5.00 117.46 118.81 2k1w n PHE 14 Ca 0.13 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2k1w n PHE 14 Cb 0.59 0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 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 0.06 -1.70 3.58 1.37 0.00 -1.21 -5.19 105.19 102.11 2k1w n GLY 15 Ca -0.04 0.62 -0.10 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.42 0.20 -0.02 0.00 -1.25 -4.53 107.32 101.31 2k1w s GLY 16 Ca 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 44.72 44.88 2k1w s GLY 16 CO 0.00 0.09 0.53 -1.59 0.00 0.00 0.00 173.10 172.13 2k1w s LYS 17 N -3.72 3.83 0.00 2.90 0.00 -1.26 -4.95 119.74 116.54 2k1w s LYS 17 Ca 0.05 0.30 -0.00 0.00 0.00 0.00 0.00 55.97 56.31 2k1w s LYS 17 Cb -0.03 -2.73 -0.00 0.00 0.00 0.00 0.00 37.83 35.07 2k1w s LYS 17 CO -0.06 0.37 -0.00 -1.54 0.00 0.00 0.00 175.35 174.12 2k1w s SER 18 N -2.20 0.06 -0.05 0.03 1.04 -1.26 -2.81 113.70 108.50 2k1w s SER 18 Ca 0.44 -0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.73 2k1w s SER 18 Cb -0.12 0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.07 2k1w s SER 18 CO 0.21 -0.08 0.10 0.72 0.98 0.00 0.00 173.24 175.17 2k1w s PHE 19 N -0.38 -0.06 -0.62 5.02 -0.71 -1.18 -4.99 117.98 115.06 2k1w s PHE 19 Ca -0.04 0.38 -0.08 0.00 -1.04 0.00 0.00 56.93 56.15 2k1w s PHE 19 Cb -0.03 -0.29 0.16 0.00 -1.21 0.00 0.00 43.02 41.65 2k1w s PHE 19 CO -0.00 -0.19 0.48 0.34 -1.34 0.00 0.00 175.22 174.51 2k1w s ASP 20 N 1.79 5.77 0.34 1.98 -1.08 -1.26 -3.15 116.67 121.07 2k1w s ASP 20 Ca -0.01 -2.48 0.09 0.00 -0.52 0.00 0.00 52.55 49.63 2k1w s ASP 20 Cb -0.12 -1.99 -0.05 0.00 -1.46 0.00 0.00 42.92 39.29 2k1w s ASP 20 CO -0.04 -0.53 0.01 0.00 0.52 0.00 0.00 175.17 175.13 2k1w s ALA 21 N 0.50 3.20 0.48 3.66 0.00 -0.75 -4.72 121.76 124.13 2k1w s ALA 21 Ca 0.13 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.11 2k1w s ALA 21 Cb -0.20 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2k1w s ALA 21 CO -0.04 0.06 0.00 -2.37 0.00 0.00 0.00 175.76 173.41 2k1w n THR 22 N -0.96 0.00 -1.98 0.00 5.66 -1.26 -0.08 114.28 115.66 2k1w n THR 22 Ca -0.04 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.58 2k1w n THR 22 Cb 0.63 -1.48 -0.03 0.00 -1.55 0.00 0.00 70.33 67.89 2k1w n THR 22 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2k1w s SER 23 N -1.00 5.17 0.00 1.09 0.01 -1.26 -3.71 113.70 113.99 2k1w s SER 23 Ca 0.00 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2k1w s SER 23 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2k1w s SER 23 CO 0.00 -2.44 0.00 -0.67 0.41 0.00 0.00 173.24 170.54 2k1w n ASP 24 N 13.14 0.00 -4.86 2.44 -0.08 -1.26 -5.15 116.55 120.78 2k1w n ASP 24 Ca 0.22 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.20 2k1w n ASP 24 Cb 0.52 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.03 2k1w n ASP 24 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2k1w s GLN 25 N -0.29 2.88 -0.07 -0.67 1.11 -1.24 -5.04 119.66 116.34 2k1w s GLN 25 Ca 0.00 0.59 -0.03 0.00 0.01 0.00 0.00 55.36 55.93 2k1w s GLN 25 Cb 0.00 -2.01 -0.01 0.00 -1.01 0.00 0.00 33.01 29.97 2k1w s GLN 25 CO 0.00 -1.05 0.12 -1.00 0.01 0.00 0.00 175.29 173.37 2k1w h PRO 26 N -0.67 -0.09 0.00 2.91 0.13 -1.96 -3.47 132.00 128.86 2k1w h PRO 26 Ca -0.45 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k1w h PRO 26 Cb 1.24 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2k1w h PRO 26 CO 0.62 -0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 2k1w n GLY 27 N 1.53 -1.42 3.32 1.56 0.00 -1.23 -3.87 105.19 105.08 2k1w n GLY 27 Ca -0.01 0.72 -0.10 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.00 0.20 -0.22 4.61 0.00 -1.26 -4.82 121.76 119.27 2k1w s ALA 28 Ca 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 2k1w s ALA 28 Cb 0.00 0.91 0.09 0.00 0.00 0.00 0.00 23.12 24.13 2k1w s ALA 28 CO 0.00 -0.63 0.19 0.20 0.00 0.00 0.00 175.76 175.51 2k1w s GLY 29 N -3.00 0.14 0.18 0.00 0.00 -1.26 -4.55 107.32 98.84 2k1w s GLY 29 Ca 0.20 -0.18 -0.16 0.00 0.00 0.00 0.00 44.72 44.58 2k1w s GLY 29 CO 0.02 2.12 0.47 0.99 0.00 0.00 0.00 173.10 176.69 2k1w s ASP 30 N 2.25 -0.19 -0.29 1.64 1.01 -1.26 -5.10 116.67 114.72 2k1w s ASP 30 Ca 0.06 -0.56 -0.02 0.00 0.71 0.00 0.00 52.55 52.74 2k1w s ASP 30 Cb -0.16 0.54 0.12 0.00 1.01 0.00 0.00 42.92 44.43 2k1w s ASP 30 CO -0.19 -1.01 0.20 0.21 0.21 0.00 0.00 175.17 174.59 2k1w s ASN 31 N -2.89 2.78 0.00 0.27 3.84 -1.26 -4.06 114.94 113.62 2k1w s ASN 31 Ca 0.11 -1.09 0.00 0.00 0.21 0.00 0.00 52.86 52.08 2k1w s ASN 31 Cb 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 41.25 40.70 2k1w s ASN 31 CO -0.03 -0.42 0.00 -0.11 -2.79 0.00 0.00 177.10 173.76 2k1w n LEU 32 N 5.25 0.00 -4.83 3.21 7.94 -0.79 -5.03 117.00 122.76 2k1w n LEU 32 Ca -0.04 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.52 2k1w n LEU 32 Cb 0.44 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.32 2k1w n LEU 32 CO 0.03 0.00 0.52 0.20 -1.11 0.00 0.00 177.39 177.03 2k1w s ASN 33 N 1.87 6.93 -1.03 1.96 0.01 -1.26 0.56 114.94 123.99 2k1w s ASN 33 Ca 0.00 1.50 -0.18 0.00 -0.71 0.00 0.00 52.86 53.47 2k1w s ASN 33 Cb 0.00 -2.46 -0.08 0.00 0.41 0.00 0.00 41.25 39.12 2k1w s ASN 33 CO 0.00 -0.21 2.07 0.47 -1.51 0.00 0.00 177.10 177.93 2k1w n ASP 34 N -0.20 3.36 -4.28 -1.22 8.00 -1.26 -3.98 116.55 116.97 2k1w n ASP 34 Ca 0.04 -2.70 -0.27 0.00 0.71 0.00 0.00 54.79 52.57 2k1w n ASP 34 Cb 0.53 -1.30 0.17 0.00 -0.02 0.00 0.00 41.12 40.49 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 4.20 0.90 0.27 -1.24 3.01 -1.26 -4.45 119.74 121.16 2k1w s LYS 35 Ca 0.53 -0.85 -0.29 0.00 -1.01 0.00 0.00 55.97 54.35 2k1w s LYS 35 Cb 0.14 -2.05 -0.14 0.00 -1.01 0.00 0.00 37.83 34.77 2k1w s LYS 35 CO 0.03 -2.12 1.10 1.51 0.51 0.00 0.00 175.35 176.39 2k1w n ILE 36 N -3.42 1.68 -4.24 2.17 3.06 -1.26 -4.88 119.36 112.48 2k1w n ILE 36 Ca 0.17 -0.42 -0.14 0.00 -2.50 0.00 0.00 62.75 59.86 2k1w n ILE 36 Cb 0.60 -1.07 -0.10 0.00 0.54 0.00 0.00 39.64 39.61 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 -0.34 1.64 -0.34 9.51 0.01 -1.25 -1.38 113.70 121.55 2k1w s SER 37 Ca 0.62 -1.03 -0.01 0.00 1.31 0.00 0.00 55.95 56.84 2k1w s SER 37 Cb -0.71 0.02 0.07 0.00 0.21 0.00 0.00 66.02 65.61 2k1w s SER 37 CO 0.58 -0.38 0.07 -0.55 0.41 0.00 0.00 173.24 173.37 2k1w s SER 38 N -3.15 4.98 -0.30 2.44 0.15 -1.14 -4.23 113.70 112.45 2k1w s SER 38 Ca 0.17 -1.60 -0.04 0.00 0.70 0.00 0.00 55.95 55.18 2k1w s SER 38 Cb 0.03 -1.74 0.04 0.00 -1.71 0.00 0.00 66.02 62.65 2k1w s SER 38 CO -0.00 -0.36 0.03 -0.63 1.20 0.00 0.00 173.24 173.48 2k1w s ILE 39 N 1.18 3.30 -0.30 6.45 1.09 -0.90 -0.48 121.20 131.53 2k1w s ILE 39 Ca 0.01 -1.18 -0.02 0.00 -1.10 0.00 0.00 60.65 58.35 2k1w s ILE 39 Cb -0.21 -2.83 0.10 0.00 -1.06 0.00 0.00 42.46 38.46 2k1w s ILE 39 CO -0.03 -0.06 0.12 -0.75 -0.10 0.00 0.00 174.94 174.12 2k1w s LYS 40 N 1.33 0.43 -0.02 2.79 2.20 -1.22 -1.04 119.74 124.21 2k1w s LYS 40 Ca -0.03 -0.79 -0.14 0.00 -0.36 0.00 0.00 55.97 54.66 2k1w s LYS 40 Cb -0.19 -1.52 0.02 0.00 -1.51 0.00 0.00 37.83 34.63 2k1w s LYS 40 CO -0.00 -1.01 0.29 0.08 -0.36 0.00 0.00 175.35 174.35 2k1w s VAL 41 N 1.86 0.06 -0.42 4.02 1.01 -1.25 -4.04 120.40 121.64 2k1w s VAL 41 Ca 0.10 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2k1w s VAL 41 Cb -0.17 -0.58 0.14 0.00 0.00 0.00 0.00 36.38 35.77 2k1w s VAL 41 CO -0.31 -0.26 0.26 -0.54 0.00 0.00 0.00 175.10 174.24 2k1w s LYS 42 N -1.27 1.03 -0.30 2.72 1.02 -1.26 -1.87 119.74 119.81 2k1w s LYS 42 Ca -0.13 -1.85 -0.01 0.00 0.02 0.00 0.00 55.97 54.00 2k1w s LYS 42 Cb -0.05 -1.89 0.19 0.00 -0.52 0.00 0.00 37.83 35.56 2k1w s LYS 42 CO 0.04 -1.22 0.79 0.45 -0.92 0.00 0.00 175.35 174.49 2k1w s SER 43 N 0.47 -1.09 0.68 2.83 0.15 -1.26 -4.89 113.70 110.60 2k1w s SER 43 Ca 0.20 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2k1w s SER 43 Cb -0.19 1.66 0.00 0.00 -1.71 0.00 0.00 66.02 65.78 2k1w s SER 43 CO -0.03 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2k1w n GLY 44 N 5.16 1.54 3.47 9.45 0.00 -1.26 -4.43 105.19 119.13 2k1w n GLY 44 Ca 0.07 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 2.75 0.13 2.61 -4.23 -1.14 -3.17 115.64 112.58 2k1w s THR 45 Ca 0.00 -1.57 0.05 0.00 -1.18 0.00 0.00 61.69 58.99 2k1w s THR 45 Cb 0.00 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 2k1w s THR 45 CO 0.00 0.08 -0.11 0.26 -0.54 0.00 0.00 174.62 174.31 2k1w s TRP 46 N -1.17 1.27 -0.28 3.99 0.51 -0.98 0.01 118.94 122.28 2k1w s TRP 46 Ca 0.18 -0.68 -0.03 0.00 -2.12 0.00 0.00 56.10 53.44 2k1w s TRP 46 Cb -0.10 -0.65 0.03 0.00 -0.81 0.00 0.00 33.47 31.94 2k1w s TRP 46 CO 0.10 0.09 -0.00 1.03 -0.51 0.00 0.00 176.95 177.66 2k1w s ARG 47 N -3.30 2.71 -0.12 4.98 3.00 -0.33 -1.78 118.95 124.10 2k1w s ARG 47 Ca 0.13 -1.08 -0.09 0.00 0.00 0.00 0.00 55.73 54.69 2k1w s ARG 47 Cb -0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 34.95 31.74 2k1w s ARG 47 CO 0.01 -0.51 0.18 -0.06 0.00 0.00 0.00 175.30 174.92 2k1w s PHE 48 N 1.33 3.57 -0.28 -0.53 0.08 0.11 -2.66 117.98 119.60 2k1w s PHE 48 Ca -0.02 0.55 -0.16 0.00 0.12 0.00 0.00 56.93 57.43 2k1w s PHE 48 Cb -0.18 -2.04 0.08 0.00 -0.57 0.00 0.00 43.02 40.31 2k1w s PHE 48 CO -0.01 0.62 0.69 1.52 -0.10 0.00 0.00 175.22 177.94 2k1w s TYR 49 N -0.69 -1.08 -1.28 0.36 -0.85 -1.03 -0.15 117.35 112.63 2k1w s TYR 49 Ca 0.15 2.13 -0.08 0.00 -0.52 0.00 0.00 57.07 58.75 2k1w s TYR 49 Cb -0.12 0.65 0.16 0.00 0.38 0.00 0.00 41.96 43.02 2k1w s TYR 49 CO 0.04 -0.53 2.02 0.39 -1.52 0.00 0.00 175.55 175.95 2k1w n GLU 50 N 4.38 4.01 -3.05 -3.49 4.71 -1.26 -1.79 120.64 124.15 2k1w n GLU 50 Ca -0.19 -3.57 0.00 0.00 -0.01 0.00 0.00 57.16 53.38 2k1w n GLU 50 Cb 0.58 -2.80 0.00 0.00 -1.01 0.00 0.00 31.44 28.21 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 2.97 0.00 -0.23 -0.32 4.01 -0.22 -4.65 117.16 118.73 2k1w n TYR 51 Ca 0.46 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.94 2k1w n TYR 51 Cb 0.32 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.61 2k1w n TYR 51 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 2k1w n ILE 52 N 0.46 0.00 -0.55 -0.72 -5.35 -1.25 -4.26 119.36 107.68 2k1w n ILE 52 Ca 0.00 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.40 2k1w n ILE 52 Cb 0.00 -0.87 0.21 0.00 -1.74 0.00 0.00 39.64 37.24 2k1w n ILE 52 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2k1w n ASN 53 N -5.19 4.00 -2.12 7.28 2.85 -1.26 -4.13 115.26 116.69 2k1w n ASN 53 Ca 0.12 -2.98 -0.01 0.00 -0.11 0.00 0.00 54.58 51.60 2k1w n ASN 53 Cb 0.53 -0.70 0.07 0.00 1.24 0.00 0.00 39.78 40.91 2k1w n ASN 53 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k1w n TYR 54 N -0.20 -1.10 0.00 1.20 4.11 -1.26 -5.04 117.16 114.86 2k1w n TYR 54 Ca 0.34 -0.91 0.00 0.00 -0.00 0.00 0.00 57.90 57.33 2k1w n TYR 54 Cb 1.20 1.09 0.00 0.00 -0.00 0.00 0.00 39.34 41.63 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 -0.83 -1.82 1.85 -7.48 0.00 -1.26 -5.18 105.19 90.47 2k1w n GLY 55 Ca -0.10 0.75 -0.04 0.00 0.00 0.00 0.00 46.02 46.64 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 1.48 3.57 -0.02 0.00 -1.26 -4.16 105.19 104.80 2k1w n GLY 56 Ca 0.00 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.04 3.36 -0.05 1.61 3.00 -1.26 -4.98 118.95 118.59 2k1w s ARG 57 Ca 0.08 0.16 -0.30 0.00 -1.00 0.00 0.00 55.73 54.67 2k1w s ARG 57 Cb -0.02 -4.09 -0.02 0.00 0.00 0.00 0.00 34.95 30.81 2k1w s ARG 57 CO 0.06 -1.89 1.04 -0.47 0.00 0.00 0.00 175.30 174.04 2k1w s TYR 58 N 5.48 3.52 -0.28 5.12 5.04 -1.26 -3.93 117.35 131.04 2k1w s TYR 58 Ca 0.43 1.56 0.02 0.00 -2.44 0.00 0.00 57.07 56.64 2k1w s TYR 58 Cb -0.08 -3.21 0.17 0.00 0.35 0.00 0.00 41.96 39.18 2k1w s TYR 58 CO 0.22 -0.38 0.46 -0.46 -1.34 0.00 0.00 175.55 174.05 2k1w s TRP 59 N 1.60 -1.24 0.25 4.97 -0.00 0.79 -5.00 118.94 120.30 2k1w s TRP 59 Ca 0.52 0.68 0.05 0.00 -0.00 0.00 0.00 56.10 57.35 2k1w s TRP 59 Cb -0.21 0.04 -0.03 0.00 -0.00 0.00 0.00 33.47 33.27 2k1w s TRP 59 CO 0.23 -0.97 0.34 0.16 -0.00 0.00 0.00 176.95 176.71 2k1w s ASP 60 N 2.64 6.21 0.14 5.86 -4.77 -1.26 0.04 116.67 125.52 2k1w s ASP 60 Ca 0.11 0.02 -0.19 0.00 -3.30 0.00 0.00 52.55 49.19 2k1w s ASP 60 Cb -0.12 -1.78 0.05 0.00 -1.09 0.00 0.00 42.92 39.98 2k1w s ASP 60 CO -0.27 -0.08 0.48 -1.48 0.70 0.00 0.00 175.17 174.52 2k1w s LEU 61 N -3.97 0.02 0.00 2.11 0.05 -0.73 -4.93 118.68 111.22 2k1w s LEU 61 Ca 0.34 -0.20 0.00 0.00 0.05 0.00 0.00 54.13 54.32 2k1w s LEU 61 Cb -0.09 2.14 0.00 0.00 -2.05 0.00 0.00 46.19 46.19 2k1w s LEU 61 CO 0.29 -0.91 0.00 0.61 -0.55 0.00 0.00 176.35 175.79 2k1w n GLY 62 N -0.29 -0.99 3.56 -3.48 0.00 -1.26 -2.33 105.19 100.40 2k1w n GLY 62 Ca -0.16 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.66 3.20 0.03 1.61 0.04 -1.19 -4.81 135.00 132.21 2k1w s PRO 63 Ca 0.00 0.10 -0.28 0.00 0.04 0.00 0.00 61.00 60.86 2k1w s PRO 63 Cb 0.00 -4.16 0.10 0.00 0.04 0.00 0.00 34.50 30.47 2k1w s PRO 63 CO 0.00 -2.09 0.89 0.20 0.04 0.00 0.00 177.00 176.03 2k1w s GLY 64 N 4.27 -0.44 -0.03 0.56 0.00 -0.78 -4.87 107.32 106.04 2k1w s GLY 64 Ca 0.44 0.86 -0.01 0.00 0.00 0.00 0.00 44.72 46.01 2k1w s GLY 64 CO 0.20 0.28 0.07 1.85 0.00 0.00 0.00 173.10 175.50 2k1w s GLU 65 N -3.17 3.08 0.17 2.90 -6.30 -1.26 -3.81 118.70 110.30 2k1w s GLU 65 Ca 0.06 -0.45 -0.23 0.00 -2.50 0.00 0.00 54.97 51.85 2k1w s GLU 65 Cb -0.01 -2.87 0.07 0.00 0.00 0.00 0.00 34.13 31.32 2k1w s GLU 65 CO -0.08 0.67 0.61 1.52 0.02 0.00 0.00 175.26 178.00 2k1w s TYR 66 N -1.13 -0.52 -0.51 5.30 1.13 -0.21 -5.00 117.35 116.41 2k1w s TYR 66 Ca 0.21 0.29 0.07 0.00 -1.41 0.00 0.00 57.07 56.22 2k1w s TYR 66 Cb -0.12 0.57 0.19 0.00 -1.10 0.00 0.00 41.96 41.50 2k1w s TYR 66 CO 0.11 -0.87 0.71 -1.13 -2.51 0.00 0.00 175.55 171.86 2k1w n SER 67 N -0.38 -3.19 -4.30 -0.18 3.41 -1.26 -2.12 113.62 105.59 2k1w n SER 67 Ca -0.16 -2.91 -0.28 0.00 -0.26 0.00 0.00 58.87 55.25 2k1w n SER 67 Cb 0.65 1.59 0.16 0.00 -0.26 0.00 0.00 64.21 66.35 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 0.59 3.48 0.00 4.04 0.01 -1.26 -4.92 113.70 115.63 2k1w s SER 68 Ca 0.30 0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.75 2k1w s SER 68 Cb 0.02 -0.31 0.04 0.00 0.21 0.00 0.00 66.02 65.99 2k1w s SER 68 CO -0.08 -2.49 0.80 0.55 0.41 0.00 0.00 173.24 172.44 2k1w n VAL 69 N -3.53 0.00 0.00 3.43 3.14 -1.26 -3.90 118.33 116.21 2k1w n VAL 69 Ca 0.15 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 2k1w n VAL 69 Cb 0.60 0.33 0.00 0.00 -1.06 0.00 0.00 33.84 33.71 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 0.05 0.00 -0.48 1.45 0.28 -1.26 -4.83 120.64 115.84 2k1w n GLU 70 Ca -0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.01 2k1w n GLU 70 Cb 0.66 0.00 0.22 0.00 1.43 0.00 0.00 31.44 33.75 2k1w n GLU 70 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2k1w n SER 71 N 0.00 3.52 -0.43 -1.84 3.41 -1.26 -3.70 113.62 113.33 2k1w n SER 71 Ca 0.00 -2.49 0.05 0.00 -0.26 0.00 0.00 58.87 56.17 2k1w n SER 71 Cb 0.00 -0.59 0.08 0.00 -0.26 0.00 0.00 64.21 63.44 2k1w n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k1w n ALA 72 N 0.35 2.29 -1.47 7.33 0.00 -1.26 -5.05 120.51 122.70 2k1w n ALA 72 Ca 0.15 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.60 2k1w n ALA 72 Cb 0.75 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.64 -4.73 2.71 0.00 0.00 -1.24 -4.94 105.19 96.34 2k1w n GLY 73 Ca 0.09 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 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 0.97 2.55 -0.05 -0.61 2.08 -1.26 -4.89 119.36 118.16 2k1w n ILE 74 Ca 0.00 -5.37 -0.01 0.00 0.56 0.00 0.00 62.75 57.93 2k1w n ILE 74 Cb 0.00 -1.56 -0.00 0.00 -0.75 0.00 0.00 39.64 37.32 2k1w n ILE 74 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 2k1w h PRO 75 N 3.38 0.00 0.00 0.38 0.11 -1.92 -3.45 132.00 130.50 2k1w h PRO 75 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2k1w h PRO 75 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2k1w h PRO 75 CO 0.80 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.12 2k1w n ASP 76 N -4.28 0.00 -3.12 -2.05 -0.08 -1.26 -4.65 116.55 101.10 2k1w n ASP 76 Ca -0.02 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.95 2k1w n ASP 76 Cb 0.07 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.49 2k1w n ASP 76 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2k1w n ASN 77 N 0.00 7.34 -4.54 1.67 5.15 0.19 -4.49 115.26 120.58 2k1w n ASN 77 Ca 0.00 -2.48 -0.34 0.00 -0.60 0.00 0.00 54.58 51.16 2k1w n ASN 77 Cb 0.00 -1.41 -0.11 0.00 -0.53 0.00 0.00 39.78 37.73 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 2.47 4.96 -1.42 1.20 0.15 -1.24 -1.88 113.70 117.93 2k1w s SER 78 Ca 0.61 -0.06 -0.03 0.00 0.70 0.00 0.00 55.95 57.17 2k1w s SER 78 Cb 0.17 -1.75 0.02 0.00 -1.71 0.00 0.00 66.02 62.76 2k1w s SER 78 CO -0.05 0.20 0.56 -0.38 1.20 0.00 0.00 173.24 174.78 2k1w n ILE 79 N 3.32 -3.15 -2.76 6.45 5.41 -1.26 -3.37 119.36 124.01 2k1w n ILE 79 Ca -0.17 -0.42 -0.42 0.00 1.00 0.00 0.00 62.75 62.74 2k1w n ILE 79 Cb 0.53 -2.86 -0.03 0.00 -0.71 0.00 0.00 39.64 36.56 2k1w n ILE 79 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2k1w s SER 80 N -4.19 7.08 0.03 4.38 0.01 -1.26 -1.05 113.70 118.70 2k1w s SER 80 Ca 0.12 1.34 -0.02 0.00 1.31 0.00 0.00 55.95 58.71 2k1w s SER 80 Cb -0.06 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 2k1w s SER 80 CO 0.87 -0.50 0.00 -0.44 0.41 0.00 0.00 173.24 173.58 2k1w s SER 81 N 1.16 0.26 -0.19 2.44 0.01 -0.74 -4.14 113.70 112.50 2k1w s SER 81 Ca 0.43 -0.57 -0.12 0.00 1.31 0.00 0.00 55.95 57.00 2k1w s SER 81 Cb -0.17 0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.27 2k1w s SER 81 CO 0.12 -0.39 0.46 0.72 0.41 0.00 0.00 173.24 174.56 2k1w s PHE 82 N -2.08 -0.64 -0.11 2.43 -0.71 -1.26 -2.45 117.98 113.16 2k1w s PHE 82 Ca -0.10 1.38 0.01 0.00 -1.04 0.00 0.00 56.93 57.18 2k1w s PHE 82 Cb -0.05 0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 42.03 2k1w s PHE 82 CO -0.03 -0.34 -0.13 1.03 -1.34 0.00 0.00 175.22 174.41 2k1w s ARG 83 N 1.09 3.22 0.28 1.99 0.52 -1.09 -3.54 118.95 121.41 2k1w s ARG 83 Ca -0.07 -0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 54.44 2k1w s ARG 83 Cb -0.06 -2.58 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 2k1w s ARG 83 CO -0.10 0.29 0.48 -0.65 0.02 0.00 0.00 175.30 175.35 2k1w s GLN 84 N 0.15 3.53 0.00 3.54 1.11 -1.26 -1.19 119.66 125.54 2k1w s GLN 84 Ca -0.07 -0.28 0.00 0.00 0.01 0.00 0.00 55.36 55.02 2k1w s GLN 84 Cb -0.15 -2.73 0.00 0.00 -1.01 0.00 0.00 33.01 29.12 2k1w s GLN 84 CO 0.05 0.27 0.33 -0.89 0.01 0.00 0.00 175.29 175.06