#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 0.10 -0.40 3.17 -0.87 -1.26 -5.07 114.94 110.61 2k1w s ASN 2 Ca 0.00 0.19 0.09 0.00 -1.57 0.00 0.00 52.86 51.57 2k1w s ASN 2 Cb 0.00 0.07 0.29 0.00 -0.02 0.00 0.00 41.25 41.59 2k1w s ASN 2 CO 0.00 -0.16 0.63 0.00 -2.57 0.00 0.00 177.10 175.00 2k1w n ALA 3 N 4.35 2.41 -2.77 0.60 0.00 -1.26 -4.92 120.51 118.93 2k1w n ALA 3 Ca -0.24 -3.51 -0.09 0.00 0.00 0.00 0.00 53.44 49.60 2k1w n ALA 3 Cb 0.51 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 19.18 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 0.88 0.73 -3.71 0.00 0.00 -1.26 -5.08 120.51 112.07 2k1w n ALA 4 Ca 0.23 -1.82 -0.37 0.00 0.00 0.00 0.00 53.44 51.48 2k1w n ALA 4 Cb 0.57 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.45 2.14 -0.05 0.00 2.02 -1.26 -4.70 118.70 116.41 2k1w s GLU 5 Ca 0.25 -1.82 0.02 0.00 0.02 0.00 0.00 54.97 53.44 2k1w s GLU 5 Cb 0.36 -3.68 0.01 0.00 0.10 0.00 0.00 34.13 30.91 2k1w s GLU 5 CO -0.06 -1.11 -0.11 0.08 0.02 0.00 0.00 175.26 174.09 2k1w s VAL 6 N 1.18 0.97 -0.11 2.63 1.01 -1.14 -4.62 120.40 120.32 2k1w s VAL 6 Ca 0.08 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 2k1w s VAL 6 Cb -0.24 -0.88 0.05 0.00 0.00 0.00 0.00 36.38 35.32 2k1w s VAL 6 CO -0.03 0.31 0.15 -0.51 0.00 0.00 0.00 175.10 175.01 2k1w s ILE 7 N 0.48 -0.23 0.05 2.22 2.07 -1.26 0.12 121.20 124.65 2k1w s ILE 7 Ca -0.09 0.22 0.03 0.00 -1.41 0.00 0.00 60.65 59.40 2k1w s ILE 7 Cb -0.13 -0.38 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 2k1w s ILE 7 CO 0.02 0.04 -0.09 0.68 -1.91 0.00 0.00 174.94 173.68 2k1w s VAL 8 N 2.27 0.69 -0.04 4.00 -7.23 0.62 -3.43 120.40 117.27 2k1w s VAL 8 Ca 0.04 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 2k1w s VAL 8 Cb -0.13 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.97 2k1w s VAL 8 CO -0.07 -0.38 0.00 -0.31 -0.31 0.00 0.00 175.10 174.03 2k1w s TYR 9 N -1.53 3.11 -0.34 2.82 1.51 0.37 -0.02 117.35 123.27 2k1w s TYR 9 Ca -0.06 0.13 0.04 0.00 -1.01 0.00 0.00 57.07 56.16 2k1w s TYR 9 Cb -0.09 -1.72 0.48 0.00 -0.11 0.00 0.00 41.96 40.52 2k1w s TYR 9 CO 0.01 0.46 1.61 0.39 -1.11 0.00 0.00 175.55 176.90 2k1w n GLU 10 N 1.72 2.14 -1.80 -0.62 -0.58 -1.24 -3.46 120.64 116.79 2k1w n GLU 10 Ca -0.16 -2.12 0.00 0.00 -0.42 0.00 0.00 57.16 54.46 2k1w n GLU 10 Cb 0.53 -1.85 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 2k1w n GLU 10 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2k1w n HIS 11 N -0.50 -0.17 -1.28 -0.32 -0.00 -1.26 -4.86 115.22 106.82 2k1w n HIS 11 Ca 0.39 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 58.23 2k1w n HIS 11 Cb 1.27 0.00 0.11 0.00 -0.12 0.00 0.00 29.99 31.24 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 -2.18 2.31 0.11 3.57 0.11 0.92 -2.92 120.40 122.32 2k1w s VAL 12 Ca 0.00 0.14 -0.31 0.00 -2.93 0.00 0.00 61.98 58.88 2k1w s VAL 12 Cb 0.00 -2.60 -0.10 0.00 -1.53 0.00 0.00 36.38 32.15 2k1w s VAL 12 CO 0.00 -0.09 1.59 -1.13 -3.33 0.00 0.00 175.10 172.13 2k1w h ASN 13 N -0.64 -1.25 -0.55 3.54 -1.24 -1.93 -0.08 115.58 113.43 2k1w h ASN 13 Ca -0.47 0.14 -0.34 0.00 0.71 0.00 0.00 56.30 56.35 2k1w h ASN 13 Cb 1.29 0.47 -0.14 0.00 0.73 0.00 0.00 38.32 40.67 2k1w h ASN 13 CO 0.48 -0.49 0.36 2.22 -1.29 0.00 0.00 177.43 178.71 2k1w n PHE 14 N -5.46 1.40 -2.05 0.67 1.16 -1.26 -3.86 117.46 108.07 2k1w n PHE 14 Ca -0.07 -1.89 -0.00 0.00 -1.87 0.00 0.00 57.45 53.62 2k1w n PHE 14 Cb 0.38 -1.04 0.00 0.00 -1.61 0.00 0.00 39.48 37.21 2k1w n PHE 14 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k1w n GLY 15 N 0.61 -0.71 3.35 4.97 0.00 -0.67 -5.17 105.19 107.57 2k1w n GLY 15 Ca 0.33 -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 -0.03 0.09 0.38 -0.02 0.00 -0.13 -3.92 107.32 103.69 2k1w s GLY 16 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.20 2k1w s GLY 16 CO -0.00 -0.58 0.64 -1.59 0.00 0.00 0.00 173.10 171.58 2k1w s LYS 17 N -3.89 3.56 -0.56 2.90 0.00 -1.26 -4.96 119.74 115.54 2k1w s LYS 17 Ca 0.09 -0.02 -0.19 0.00 0.00 0.00 0.00 55.97 55.85 2k1w s LYS 17 Cb 0.02 -2.54 0.08 0.00 0.00 0.00 0.00 37.83 35.39 2k1w s LYS 17 CO -0.06 0.03 0.67 -1.54 0.00 0.00 0.00 175.35 174.46 2k1w s SER 18 N -3.80 6.20 -0.63 0.03 1.04 -1.26 -3.72 113.70 111.55 2k1w s SER 18 Ca 0.44 -1.21 -0.20 0.00 0.48 0.00 0.00 55.95 55.45 2k1w s SER 18 Cb -0.10 -2.30 0.09 0.00 0.10 0.00 0.00 66.02 63.81 2k1w s SER 18 CO 0.37 -1.02 0.83 0.12 0.98 0.00 0.00 173.24 174.52 2k1w s PHE 19 N 2.67 2.88 -0.61 5.02 2.19 0.97 -4.94 117.98 126.17 2k1w s PHE 19 Ca 0.13 -0.82 -0.21 0.00 0.33 0.00 0.00 56.93 56.35 2k1w s PHE 19 Cb -0.22 -4.14 0.07 0.00 -1.31 0.00 0.00 43.02 37.42 2k1w s PHE 19 CO 0.09 -1.45 0.85 0.16 1.83 0.00 0.00 175.22 176.70 2k1w s ASP 20 N 3.64 6.21 0.07 6.13 -4.77 -1.26 -0.28 116.67 126.41 2k1w s ASP 20 Ca 0.17 -0.98 -0.30 0.00 -3.30 0.00 0.00 52.55 48.14 2k1w s ASP 20 Cb -0.20 -2.38 -0.05 0.00 -1.09 0.00 0.00 42.92 39.20 2k1w s ASP 20 CO 0.07 -1.26 0.98 0.00 0.70 0.00 0.00 175.17 175.66 2k1w s ALA 21 N 3.54 3.22 0.00 2.11 0.00 0.12 -4.95 121.76 125.80 2k1w s ALA 21 Ca 0.20 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2k1w s ALA 21 Cb -0.18 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2k1w s ALA 21 CO 0.11 -0.11 0.00 0.25 0.00 0.00 0.00 175.76 176.01 2k1w n THR 22 N 3.18 0.00 -1.11 0.00 -2.24 -1.26 -2.88 114.28 109.97 2k1w n THR 22 Ca 0.04 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.49 2k1w n THR 22 Cb 0.50 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 2k1w n THR 22 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k1w n SER 23 N -2.34 7.16 0.01 3.42 7.64 -1.26 -3.37 113.62 124.89 2k1w n SER 23 Ca 0.00 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.39 2k1w n SER 23 Cb 0.00 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 61.81 2k1w n SER 23 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k1w n ASP 24 N 3.94 -0.23 -4.92 6.43 8.00 -1.26 -5.14 116.55 123.37 2k1w n ASP 24 Ca 0.65 0.05 -0.26 0.00 0.71 0.00 0.00 54.79 55.94 2k1w n ASP 24 Cb 0.20 0.68 0.01 0.00 -0.02 0.00 0.00 41.12 41.99 2k1w n ASP 24 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2k1w s GLN 25 N -2.00 3.24 -0.13 -1.24 1.11 -1.22 -5.05 119.66 114.38 2k1w s GLN 25 Ca 0.00 0.01 -0.15 0.00 0.01 0.00 0.00 55.36 55.23 2k1w s GLN 25 Cb 0.00 -2.37 -0.13 0.00 -1.01 0.00 0.00 33.01 29.50 2k1w s GLN 25 CO 0.00 -0.39 0.36 -1.00 0.01 0.00 0.00 175.29 174.27 2k1w h PRO 26 N 0.12 0.00 0.00 2.91 0.13 -1.96 -3.43 132.00 129.77 2k1w h PRO 26 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2k1w h PRO 26 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2k1w h PRO 26 CO 0.61 0.51 0.00 0.41 -0.23 0.00 0.00 178.00 179.30 2k1w n GLY 27 N 1.68 1.19 3.90 1.56 0.00 -1.26 -4.69 105.19 107.57 2k1w n GLY 27 Ca -0.06 0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 3.85 -0.29 4.61 0.00 -1.26 -4.91 121.76 122.74 2k1w s ALA 28 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.38 2k1w s ALA 28 Cb 0.00 -2.06 0.19 0.00 0.00 0.00 0.00 23.12 21.25 2k1w s ALA 28 CO 0.00 0.69 0.60 0.20 0.00 0.00 0.00 175.76 177.25 2k1w s GLY 29 N -2.21 -1.13 -0.28 0.00 0.00 -1.26 -4.30 107.32 98.14 2k1w s GLY 29 Ca 0.36 1.46 -0.19 0.00 0.00 0.00 0.00 44.72 46.35 2k1w s GLY 29 CO 0.23 3.54 0.77 -0.35 0.00 0.00 0.00 173.10 177.28 2k1w s ASP 30 N 2.85 -0.80 -0.47 1.64 -1.08 -1.26 -5.13 116.67 112.42 2k1w s ASP 30 Ca 0.15 1.34 -0.22 0.00 -0.52 0.00 0.00 52.55 53.30 2k1w s ASP 30 Cb -0.12 1.34 0.03 0.00 -1.46 0.00 0.00 42.92 42.70 2k1w s ASP 30 CO -0.23 -0.22 0.76 0.21 0.52 0.00 0.00 175.17 176.21 2k1w s ASN 31 N 1.23 6.37 0.00 -0.34 3.84 -1.26 -4.45 114.94 120.32 2k1w s ASN 31 Ca -0.07 -0.26 0.00 0.00 0.21 0.00 0.00 52.86 52.74 2k1w s ASN 31 Cb -0.05 -2.37 0.00 0.00 -0.55 0.00 0.00 41.25 38.28 2k1w s ASN 31 CO -0.14 -0.93 0.00 -0.11 -2.79 0.00 0.00 177.10 173.13 2k1w n LEU 32 N 6.68 0.00 -4.81 3.21 7.94 -0.83 -5.06 117.00 124.13 2k1w n LEU 32 Ca 0.01 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.53 2k1w n LEU 32 Cb 0.48 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.37 2k1w n LEU 32 CO 0.58 0.00 0.32 0.20 -1.11 0.00 0.00 177.39 177.38 2k1w s ASN 33 N -0.75 7.07 -1.07 1.96 0.01 -1.26 0.25 114.94 121.15 2k1w s ASN 33 Ca 0.00 1.32 -0.19 0.00 -0.71 0.00 0.00 52.86 53.28 2k1w s ASN 33 Cb 0.00 -2.38 -0.07 0.00 0.41 0.00 0.00 41.25 39.21 2k1w s ASN 33 CO 0.00 0.19 2.02 0.47 -1.51 0.00 0.00 177.10 178.27 2k1w n ASP 34 N 1.35 3.16 -2.71 -1.22 8.00 -1.26 -4.18 116.55 119.70 2k1w n ASP 34 Ca -0.07 -2.75 -0.07 0.00 0.71 0.00 0.00 54.79 52.61 2k1w n ASP 34 Cb 0.51 -1.38 0.04 0.00 -0.02 0.00 0.00 41.12 40.26 2k1w n ASP 34 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2k1w n LYS 35 N 6.86 0.25 -1.44 -1.24 4.76 -1.26 -4.30 118.16 121.78 2k1w n LYS 35 Ca 0.50 -0.76 -0.49 0.00 -2.87 0.00 0.00 58.31 54.69 2k1w n LYS 35 Cb 0.41 -0.23 -0.08 0.00 -1.84 0.00 0.00 35.03 33.29 2k1w n LYS 35 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 2k1w n ILE 36 N -1.95 0.14 -3.99 -0.18 3.06 -1.26 -4.81 119.36 110.36 2k1w n ILE 36 Ca 0.05 -0.27 -0.28 0.00 -2.50 0.00 0.00 62.75 59.75 2k1w n ILE 36 Cb 0.17 -1.58 -0.05 0.00 0.54 0.00 0.00 39.64 38.73 2k1w n ILE 36 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2k1w s SER 37 N 7.81 5.97 -0.35 9.51 0.15 -1.26 -0.06 113.70 135.48 2k1w s SER 37 Ca 1.11 0.09 -0.04 0.00 0.70 0.00 0.00 55.95 57.81 2k1w s SER 37 Cb -0.87 -1.72 0.07 0.00 -1.71 0.00 0.00 66.02 61.79 2k1w s SER 37 CO 0.48 0.11 0.11 -0.55 1.20 0.00 0.00 173.24 174.59 2k1w s SER 38 N -2.83 5.16 -0.28 5.45 0.15 -1.15 -4.24 113.70 115.95 2k1w s SER 38 Ca 0.33 -1.54 -0.04 0.00 0.70 0.00 0.00 55.95 55.40 2k1w s SER 38 Cb -0.12 -1.80 0.02 0.00 -1.71 0.00 0.00 66.02 62.42 2k1w s SER 38 CO 0.26 -0.39 0.02 -0.63 1.20 0.00 0.00 173.24 173.70 2k1w s ILE 39 N 1.25 3.43 -0.32 6.45 1.09 -0.91 -0.48 121.20 131.72 2k1w s ILE 39 Ca 0.01 -0.96 -0.01 0.00 -1.10 0.00 0.00 60.65 58.60 2k1w s ILE 39 Cb -0.21 -2.81 0.10 0.00 -1.06 0.00 0.00 42.46 38.48 2k1w s ILE 39 CO -0.01 0.06 0.11 -0.75 -0.10 0.00 0.00 174.94 174.25 2k1w s LYS 40 N 1.39 0.73 -0.01 2.79 2.20 -1.22 -1.07 119.74 124.55 2k1w s LYS 40 Ca 0.00 -1.12 -0.11 0.00 -0.36 0.00 0.00 55.97 54.37 2k1w s LYS 40 Cb -0.18 -1.99 0.01 0.00 -1.51 0.00 0.00 37.83 34.17 2k1w s LYS 40 CO -0.00 -1.00 0.24 0.08 -0.36 0.00 0.00 175.35 174.30 2k1w s VAL 41 N 1.55 0.06 -0.39 4.02 1.01 -1.25 -4.02 120.40 121.38 2k1w s VAL 41 Ca 0.10 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2k1w s VAL 41 Cb -0.18 -0.53 0.15 0.00 0.00 0.00 0.00 36.38 35.82 2k1w s VAL 41 CO -0.24 -0.29 0.25 -0.75 0.00 0.00 0.00 175.10 174.08 2k1w s LYS 42 N -1.25 0.81 -0.30 2.72 2.20 -1.26 -1.46 119.74 121.20 2k1w s LYS 42 Ca -0.13 -1.68 -0.02 0.00 -0.36 0.00 0.00 55.97 53.78 2k1w s LYS 42 Cb -0.06 -1.57 0.19 0.00 -1.51 0.00 0.00 37.83 34.88 2k1w s LYS 42 CO 0.03 -1.24 0.80 0.45 -0.36 0.00 0.00 175.35 175.03 2k1w s SER 43 N 0.64 -1.07 0.82 1.43 0.15 -1.26 -5.01 113.70 109.41 2k1w s SER 43 Ca 0.21 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2k1w s SER 43 Cb -0.17 1.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.78 2k1w s SER 43 CO -0.04 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2k1w n GLY 44 N 5.14 2.14 3.40 9.45 0.00 -1.25 -4.40 105.19 119.65 2k1w n GLY 44 Ca 0.07 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 2.33 0.10 2.61 -4.23 -1.13 -2.86 115.64 112.45 2k1w s THR 45 Ca 0.00 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 58.90 2k1w s THR 45 Cb 0.00 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 2k1w s THR 45 CO 0.00 0.14 -0.11 0.26 -0.54 0.00 0.00 174.62 174.37 2k1w s TRP 46 N -1.03 1.13 -0.32 3.99 0.51 -0.95 -0.08 118.94 122.21 2k1w s TRP 46 Ca 0.14 -0.61 -0.06 0.00 -2.12 0.00 0.00 56.10 53.46 2k1w s TRP 46 Cb -0.10 -0.62 0.03 0.00 -0.81 0.00 0.00 33.47 31.97 2k1w s TRP 46 CO 0.06 0.03 0.08 1.03 -0.51 0.00 0.00 176.95 177.64 2k1w s ARG 47 N -2.60 2.77 -0.15 4.98 3.00 -0.58 -1.74 118.95 124.64 2k1w s ARG 47 Ca 0.05 -1.07 -0.10 0.00 0.00 0.00 0.00 55.73 54.61 2k1w s ARG 47 Cb -0.04 -3.38 -0.05 0.00 0.00 0.00 0.00 34.95 31.48 2k1w s ARG 47 CO 0.01 -0.57 0.18 -0.06 0.00 0.00 0.00 175.30 174.86 2k1w s PHE 48 N 1.42 3.52 -0.29 -0.53 0.08 0.14 -2.86 117.98 119.45 2k1w s PHE 48 Ca -0.00 0.50 -0.14 0.00 0.12 0.00 0.00 56.93 57.41 2k1w s PHE 48 Cb -0.19 -2.12 0.10 0.00 -0.57 0.00 0.00 43.02 40.25 2k1w s PHE 48 CO 0.02 0.48 0.68 1.52 -0.10 0.00 0.00 175.22 177.82 2k1w s TYR 49 N -0.26 -1.15 -1.20 0.36 -0.85 -1.05 -0.21 117.35 112.99 2k1w s TYR 49 Ca 0.13 2.18 -0.07 0.00 -0.52 0.00 0.00 57.07 58.79 2k1w s TYR 49 Cb -0.12 0.69 0.22 0.00 0.38 0.00 0.00 41.96 43.13 2k1w s TYR 49 CO 0.02 -0.57 1.77 0.39 -1.52 0.00 0.00 175.55 175.65 2k1w n GLU 50 N 4.67 4.06 -3.05 -3.49 1.02 -1.25 -1.27 120.64 121.32 2k1w n GLU 50 Ca -0.17 -3.93 0.00 0.00 -0.02 0.00 0.00 57.16 53.04 2k1w n GLU 50 Cb 0.56 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 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 2.67 0.00 -1.37 -0.32 4.01 -0.78 -4.66 117.16 116.71 2k1w n TYR 51 Ca 0.37 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.76 2k1w n TYR 51 Cb 0.34 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.11 3.30 0.31 -0.72 0.13 -1.22 -4.40 119.36 116.86 2k1w n ILE 52 Ca 0.00 -0.33 0.19 0.00 -1.10 0.00 0.00 62.75 61.51 2k1w n ILE 52 Cb 0.00 -1.32 1.04 0.00 -0.84 0.00 0.00 39.64 38.51 2k1w n ILE 52 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 2k1w h ASN 53 N -0.29 0.00 -3.08 9.51 2.35 -1.97 -3.23 115.58 118.87 2k1w h ASN 53 Ca -0.48 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 54.65 2k1w h ASN 53 Cb 1.32 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.28 2k1w h ASN 53 CO 0.49 0.00 -0.67 -0.72 -1.65 0.00 0.00 177.43 174.88 2k1w s TYR 54 N -4.29 2.91 0.00 1.19 1.13 -1.26 -4.86 117.35 112.17 2k1w s TYR 54 Ca -0.05 -3.05 0.00 0.00 -1.41 0.00 0.00 57.07 52.56 2k1w s TYR 54 Cb 0.13 -2.28 0.00 0.00 -1.10 0.00 0.00 41.96 38.71 2k1w s TYR 54 CO 0.42 -0.64 0.00 0.41 -2.51 0.00 0.00 175.55 173.24 2k1w n GLY 55 N 2.36 0.55 3.07 5.49 0.00 -1.22 -5.18 105.19 110.27 2k1w n GLY 55 Ca 0.20 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 1.14 3.57 -0.02 0.00 -1.25 -4.06 105.19 104.56 2k1w n GLY 56 Ca 0.00 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.07 3.38 -0.10 1.61 3.00 -1.26 -4.99 118.95 118.51 2k1w s ARG 57 Ca 0.13 0.11 -0.27 0.00 -1.00 0.00 0.00 55.73 54.71 2k1w s ARG 57 Cb -0.04 -4.08 -0.02 0.00 0.00 0.00 0.00 34.95 30.81 2k1w s ARG 57 CO 0.09 -1.87 0.88 -0.47 0.00 0.00 0.00 175.30 173.93 2k1w s TYR 58 N 5.37 3.52 -0.28 5.12 5.04 -1.26 -3.88 117.35 130.98 2k1w s TYR 58 Ca 0.42 1.43 0.01 0.00 -2.44 0.00 0.00 57.07 56.49 2k1w s TYR 58 Cb -0.08 -3.04 0.17 0.00 0.35 0.00 0.00 41.96 39.36 2k1w s TYR 58 CO 0.22 -0.13 0.46 -0.46 -1.34 0.00 0.00 175.55 174.31 2k1w s TRP 59 N 1.62 -1.22 0.25 4.97 -0.00 0.71 -5.01 118.94 120.26 2k1w s TRP 59 Ca 0.44 0.79 0.06 0.00 -0.00 0.00 0.00 56.10 57.39 2k1w s TRP 59 Cb -0.18 0.08 -0.03 0.00 -0.00 0.00 0.00 33.47 33.34 2k1w s TRP 59 CO 0.18 -0.93 0.26 0.16 -0.00 0.00 0.00 176.95 176.62 2k1w s ASP 60 N 2.65 5.83 0.15 5.86 -4.77 -1.26 0.23 116.67 125.36 2k1w s ASP 60 Ca 0.12 -0.13 -0.20 0.00 -3.30 0.00 0.00 52.55 49.05 2k1w s ASP 60 Cb -0.13 -1.58 0.05 0.00 -1.09 0.00 0.00 42.92 40.17 2k1w s ASP 60 CO -0.25 -0.05 0.51 -1.48 0.70 0.00 0.00 175.17 174.60 2k1w s LEU 61 N -3.90 -0.12 0.00 2.11 0.05 -0.71 -4.94 118.68 111.18 2k1w s LEU 61 Ca 0.33 -0.16 0.00 0.00 0.05 0.00 0.00 54.13 54.35 2k1w s LEU 61 Cb -0.08 2.25 0.00 0.00 -2.05 0.00 0.00 46.19 46.31 2k1w s LEU 61 CO 0.27 -0.93 0.00 0.61 -0.55 0.00 0.00 176.35 175.75 2k1w n GLY 62 N -0.31 -1.00 3.55 -3.48 0.00 -1.26 -2.23 105.19 100.45 2k1w n GLY 62 Ca -0.16 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.40 2.93 0.01 1.61 0.04 -1.14 -4.80 135.00 132.25 2k1w s PRO 63 Ca 0.00 0.14 -0.28 0.00 0.04 0.00 0.00 61.00 60.90 2k1w s PRO 63 Cb 0.00 -4.30 0.10 0.00 0.04 0.00 0.00 34.50 30.34 2k1w s PRO 63 CO 0.00 -2.43 0.88 0.20 0.04 0.00 0.00 177.00 175.68 2k1w s GLY 64 N 5.82 -0.46 0.05 0.56 0.00 -0.53 -4.85 107.32 107.91 2k1w s GLY 64 Ca 0.50 0.93 0.02 0.00 0.00 0.00 0.00 44.72 46.17 2k1w s GLY 64 CO 0.17 0.30 0.08 1.85 0.00 0.00 0.00 173.10 175.51 2k1w s GLU 65 N -3.17 2.97 0.15 2.90 -6.30 -1.26 -3.79 118.70 110.19 2k1w s GLU 65 Ca 0.05 -0.61 -0.19 0.00 -2.50 0.00 0.00 54.97 51.72 2k1w s GLU 65 Cb -0.01 -2.78 0.05 0.00 0.00 0.00 0.00 34.13 31.39 2k1w s GLU 65 CO -0.09 0.60 0.50 1.52 0.02 0.00 0.00 175.26 177.81 2k1w s TYR 66 N -1.31 -0.35 -0.49 5.30 1.13 -0.23 -5.00 117.35 116.39 2k1w s TYR 66 Ca 0.27 0.08 0.06 0.00 -1.41 0.00 0.00 57.07 56.07 2k1w s TYR 66 Cb -0.12 0.40 0.23 0.00 -1.10 0.00 0.00 41.96 41.37 2k1w s TYR 66 CO 0.19 -0.78 0.87 -1.13 -2.51 0.00 0.00 175.55 172.19 2k1w n SER 67 N -0.30 -2.95 -4.52 -0.18 3.41 -1.26 -2.14 113.62 105.68 2k1w n SER 67 Ca -0.16 -3.19 -0.27 0.00 -0.26 0.00 0.00 58.87 54.99 2k1w n SER 67 Cb 0.64 1.79 0.13 0.00 -0.26 0.00 0.00 64.21 66.51 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 -1.20 3.92 0.00 4.04 0.01 -1.26 -4.94 113.70 114.27 2k1w s SER 68 Ca 0.31 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2k1w s SER 68 Cb 0.19 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.89 2k1w s SER 68 CO -0.21 -2.19 0.54 0.55 0.41 0.00 0.00 173.24 172.33 2k1w n VAL 69 N -3.32 0.00 -1.88 3.43 3.14 -1.26 -4.02 118.33 114.42 2k1w n VAL 69 Ca 0.13 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.49 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 0.10 -0.47 1.45 0.28 -1.26 -4.84 120.64 115.90 2k1w n GLU 70 Ca 0.00 -0.27 0.00 0.00 -0.16 0.00 0.00 57.16 56.73 2k1w n GLU 70 Cb 0.55 0.39 0.00 0.00 1.43 0.00 0.00 31.44 33.82 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 -0.11 0.00 -0.54 -1.84 3.41 -1.26 -4.87 113.62 108.41 2k1w n SER 71 Ca -0.06 -1.44 0.03 0.00 -0.26 0.00 0.00 58.87 57.13 2k1w n SER 71 Cb 0.43 -0.09 0.04 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.00 2.15 -1.68 7.33 0.00 -1.26 -5.06 120.51 121.99 2k1w n ALA 72 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.89 2k1w n ALA 72 Cb 0.59 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.26 -4.88 2.67 0.00 0.00 -1.26 -4.94 105.19 96.53 2k1w n GLY 73 Ca 0.04 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 1.31 3.12 -0.06 -0.61 2.08 -1.26 -4.85 119.36 119.09 2k1w n ILE 74 Ca 0.00 -5.47 -0.04 0.00 0.56 0.00 0.00 62.75 57.80 2k1w n ILE 74 Cb 0.00 -1.80 -0.01 0.00 -0.75 0.00 0.00 39.64 37.07 2k1w n ILE 74 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2k1w n PRO 75 N 0.42 0.38 -3.35 0.38 -0.02 -1.26 -4.84 135.00 126.70 2k1w n PRO 75 Ca 0.31 0.48 0.03 0.00 -2.02 0.00 0.00 63.50 62.31 2k1w n PRO 75 Cb 0.39 -1.54 -0.05 0.00 -0.02 0.00 0.00 33.50 32.28 2k1w n PRO 75 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2k1w s ASP 76 N -5.36 -0.05 -1.12 2.55 1.01 -1.26 -4.66 116.67 107.78 2k1w s ASP 76 Ca -0.12 0.07 -0.19 0.00 0.71 0.00 0.00 52.55 53.01 2k1w s ASP 76 Cb 0.02 1.04 -0.05 0.00 1.01 0.00 0.00 42.92 44.93 2k1w s ASP 76 CO 0.18 -0.01 1.99 -3.20 0.21 0.00 0.00 175.17 174.35 2k1w n ASN 77 N 4.00 3.37 -4.06 0.27 5.15 0.14 -4.46 115.26 119.66 2k1w n ASN 77 Ca -0.10 -2.77 -0.17 0.00 -0.60 0.00 0.00 54.58 50.94 2k1w n ASN 77 Cb 0.56 -1.47 -0.13 0.00 -0.53 0.00 0.00 39.78 38.21 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 4.58 1.10 -1.03 1.20 0.15 -1.26 -1.96 113.70 116.48 2k1w s SER 78 Ca 0.56 -0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.85 2k1w s SER 78 Cb 0.10 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2k1w s SER 78 CO 0.05 -0.01 0.04 -0.38 1.20 0.00 0.00 173.24 174.14 2k1w n ILE 79 N 2.19 -0.60 -2.95 6.45 5.41 -1.26 -3.90 119.36 124.69 2k1w n ILE 79 Ca -0.17 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.24 2k1w n ILE 79 Cb 0.56 -1.71 -0.06 0.00 -0.71 0.00 0.00 39.64 37.71 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 -2.08 6.98 -0.06 4.38 0.01 -1.26 -1.86 113.70 119.82 2k1w s SER 80 Ca 0.03 1.55 -0.31 0.00 1.31 0.00 0.00 55.95 58.53 2k1w s SER 80 Cb -0.01 -2.48 0.07 0.00 0.21 0.00 0.00 66.02 63.81 2k1w s SER 80 CO 0.03 -0.20 0.68 -0.55 0.41 0.00 0.00 173.24 173.62 2k1w s SER 81 N -2.02 -0.66 -0.13 2.44 0.15 -0.40 -4.38 113.70 108.70 2k1w s SER 81 Ca 0.54 0.74 -0.09 0.00 0.70 0.00 0.00 55.95 57.85 2k1w s SER 81 Cb -0.12 0.57 0.04 0.00 -1.71 0.00 0.00 66.02 64.80 2k1w s SER 81 CO 0.18 -0.60 0.32 0.72 1.20 0.00 0.00 173.24 175.06 2k1w s PHE 82 N -1.14 -0.42 -0.06 3.44 -0.71 -1.26 -2.53 117.98 115.30 2k1w s PHE 82 Ca -0.11 0.97 0.04 0.00 -1.04 0.00 0.00 56.93 56.79 2k1w s PHE 82 Cb -0.00 0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.93 2k1w s PHE 82 CO 0.10 -0.24 -0.16 1.03 -1.34 0.00 0.00 175.22 174.61 2k1w s ARG 83 N 0.89 2.61 -0.14 1.99 1.81 -1.14 -4.35 118.95 120.63 2k1w s ARG 83 Ca -0.06 -0.72 -0.06 0.00 -1.72 0.00 0.00 55.73 53.17 2k1w s ARG 83 Cb -0.07 -2.38 -0.04 0.00 -0.45 0.00 0.00 34.95 32.02 2k1w s ARG 83 CO -0.06 0.54 0.08 -0.65 -0.68 0.00 0.00 175.30 174.53 2k1w s GLN 84 N -0.53 3.57 0.00 3.54 1.11 -1.26 -1.52 119.66 124.57 2k1w s GLN 84 Ca 0.07 -0.27 0.16 0.00 0.01 0.00 0.00 55.36 55.33 2k1w s GLN 84 Cb -0.12 -3.12 0.13 0.00 -1.01 0.00 0.00 33.01 28.89 2k1w s GLN 84 CO 0.01 0.56 1.01 -0.89 0.01 0.00 0.00 175.29 175.99