#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 -0.54 -0.97 6.12 4.22 -1.26 -5.02 114.94 117.49 2k1w s ASN 2 Ca 0.00 0.79 -0.04 0.00 -2.14 0.00 0.00 52.86 51.47 2k1w s ASN 2 Cb 0.00 1.49 0.24 0.00 1.28 0.00 0.00 41.25 44.26 2k1w s ASN 2 CO 0.00 -0.11 0.91 0.00 -2.04 0.00 0.00 177.10 175.86 2k1w n ALA 3 N 4.49 3.99 -3.34 3.54 0.00 -1.26 -4.31 120.51 123.63 2k1w n ALA 3 Ca -0.13 -4.63 -0.09 0.00 0.00 0.00 0.00 53.44 48.60 2k1w n ALA 3 Cb 0.54 -1.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.02 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 -1.44 -0.52 -0.51 0.00 0.00 -1.26 -5.12 121.76 112.90 2k1w s ALA 4 Ca 0.29 -0.69 -0.18 0.00 0.00 0.00 0.00 51.96 51.38 2k1w s ALA 4 Cb -0.07 0.99 0.07 0.00 0.00 0.00 0.00 23.12 24.12 2k1w s ALA 4 CO -0.10 -0.89 0.56 -1.21 0.00 0.00 0.00 175.76 174.12 2k1w s GLU 5 N -3.98 3.06 -0.43 0.00 2.02 -1.26 -4.77 118.70 113.33 2k1w s GLU 5 Ca 0.18 -1.15 -0.04 0.00 0.02 0.00 0.00 54.97 53.98 2k1w s GLU 5 Cb -0.02 -4.15 0.11 0.00 0.10 0.00 0.00 34.13 30.18 2k1w s GLU 5 CO 0.07 -1.22 0.25 0.08 0.02 0.00 0.00 175.26 174.46 2k1w s VAL 6 N 2.27 3.51 -0.22 2.63 1.01 -1.19 -4.48 120.40 123.92 2k1w s VAL 6 Ca 0.10 -2.04 -0.04 0.00 0.00 0.00 0.00 61.98 59.99 2k1w s VAL 6 Cb -0.22 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2k1w s VAL 6 CO 0.09 -0.72 -0.02 -0.51 0.00 0.00 0.00 175.10 173.94 2k1w s ILE 7 N 1.13 3.62 0.07 2.22 2.07 -1.26 0.11 121.20 129.16 2k1w s ILE 7 Ca 0.08 -0.41 0.05 0.00 -1.41 0.00 0.00 60.65 58.96 2k1w s ILE 7 Cb -0.23 -2.65 -0.03 0.00 0.13 0.00 0.00 42.46 39.68 2k1w s ILE 7 CO -0.03 0.41 -0.13 0.68 -1.91 0.00 0.00 174.94 173.96 2k1w s VAL 8 N 1.38 1.04 -0.08 4.00 -7.23 -0.19 -3.38 120.40 115.94 2k1w s VAL 8 Ca 0.05 -1.26 -0.00 0.00 -1.81 0.00 0.00 61.98 58.95 2k1w s VAL 8 Cb -0.14 -1.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 2k1w s VAL 8 CO -0.01 -0.23 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.18 2k1w s TYR 9 N -1.27 2.99 -0.36 2.82 1.51 0.56 -0.10 117.35 123.51 2k1w s TYR 9 Ca -0.03 0.02 0.04 0.00 -1.01 0.00 0.00 57.07 56.10 2k1w s TYR 9 Cb -0.10 -1.75 0.54 0.00 -0.11 0.00 0.00 41.96 40.54 2k1w s TYR 9 CO 0.02 0.32 1.66 0.39 -1.11 0.00 0.00 175.55 176.83 2k1w n GLU 10 N 2.34 2.34 -2.05 -0.62 4.71 -1.25 -3.31 120.64 122.81 2k1w n GLU 10 Ca -0.18 -2.33 0.00 0.00 -0.01 0.00 0.00 57.16 54.64 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 -0.54 -0.20 -1.36 -0.32 -0.00 -1.25 -4.90 115.22 106.66 2k1w n HIS 11 Ca 0.42 -0.07 -0.34 0.00 0.46 0.00 0.00 57.72 58.18 2k1w n HIS 11 Cb 1.33 0.03 0.10 0.00 -0.12 0.00 0.00 29.99 31.33 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 -2.16 2.35 0.11 3.57 0.11 -0.15 -2.28 120.40 121.95 2k1w s VAL 12 Ca 0.03 0.16 -0.32 0.00 -2.93 0.00 0.00 61.98 58.93 2k1w s VAL 12 Cb -0.00 -2.67 -0.12 0.00 -1.53 0.00 0.00 36.38 32.07 2k1w s VAL 12 CO -0.00 -0.10 1.59 -1.13 -3.33 0.00 0.00 175.10 172.13 2k1w h ASN 13 N -0.49 -1.23 -0.56 3.54 -1.24 -1.91 -1.29 115.58 112.40 2k1w h ASN 13 Ca -0.47 0.13 -0.34 0.00 0.71 0.00 0.00 56.30 56.33 2k1w h ASN 13 Cb 1.29 0.45 -0.13 0.00 0.73 0.00 0.00 38.32 40.65 2k1w h ASN 13 CO 0.49 -0.51 0.33 2.22 -1.29 0.00 0.00 177.43 178.67 2k1w n PHE 14 N -5.48 1.35 0.00 0.67 1.16 -1.26 -3.92 117.46 109.99 2k1w n PHE 14 Ca -0.08 -1.87 0.00 0.00 -1.87 0.00 0.00 57.45 53.63 2k1w n PHE 14 Cb 0.39 -1.07 0.00 0.00 -1.61 0.00 0.00 39.48 37.19 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 0.69 0.00 3.43 4.97 0.00 -0.76 -5.17 105.19 108.35 2k1w n GLY 15 Ca 0.33 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.62 0.25 -0.02 0.00 -0.56 -3.86 107.32 102.52 2k1w s GLY 16 Ca 0.00 0.54 -0.10 0.00 0.00 0.00 0.00 44.72 45.15 2k1w s GLY 16 CO 0.00 0.20 0.58 -1.59 0.00 0.00 0.00 173.10 172.29 2k1w s LYS 17 N -3.62 3.83 -0.33 2.90 0.00 -1.26 -4.95 119.74 116.30 2k1w s LYS 17 Ca 0.00 0.33 -0.21 0.00 0.00 0.00 0.00 55.97 56.10 2k1w s LYS 17 Cb -0.01 -2.61 -0.00 0.00 0.00 0.00 0.00 37.83 35.21 2k1w s LYS 17 CO -0.12 0.28 0.66 -1.54 0.00 0.00 0.00 175.35 174.63 2k1w s SER 18 N -2.39 6.49 -0.60 0.03 1.04 -1.26 -3.76 113.70 113.25 2k1w s SER 18 Ca 0.48 0.32 -0.19 0.00 0.48 0.00 0.00 55.95 57.05 2k1w s SER 18 Cb -0.11 -2.34 0.10 0.00 0.10 0.00 0.00 66.02 63.77 2k1w s SER 18 CO 0.21 -0.57 0.71 0.12 0.98 0.00 0.00 173.24 174.69 2k1w s PHE 19 N 2.74 3.00 -0.83 5.02 2.19 0.86 -4.95 117.98 126.01 2k1w s PHE 19 Ca 0.26 -0.98 -0.20 0.00 0.33 0.00 0.00 56.93 56.35 2k1w s PHE 19 Cb -0.14 -4.02 0.11 0.00 -1.31 0.00 0.00 43.02 37.66 2k1w s PHE 19 CO 0.14 -1.30 1.05 -0.51 1.83 0.00 0.00 175.22 176.44 2k1w s ASP 20 N 3.63 6.46 -0.30 6.13 1.11 -1.26 -1.02 116.67 131.42 2k1w s ASP 20 Ca 0.12 -1.67 -0.29 0.00 0.18 0.00 0.00 52.55 50.88 2k1w s ASP 20 Cb -0.24 -2.40 0.01 0.00 1.07 0.00 0.00 42.92 41.36 2k1w s ASP 20 CO 0.06 -1.19 1.08 0.00 1.18 0.00 0.00 175.17 176.29 2k1w s ALA 21 N 3.15 3.54 0.00 5.23 0.00 0.12 -4.99 121.76 128.81 2k1w s ALA 21 Ca 0.28 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2k1w s ALA 21 Cb -0.10 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2k1w s ALA 21 CO -0.02 -1.39 0.00 0.25 0.00 0.00 0.00 175.76 174.60 2k1w n THR 22 N 5.75 0.00 -1.11 0.00 -2.24 -1.26 -3.20 114.28 112.21 2k1w n THR 22 Ca 0.12 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.57 2k1w n THR 22 Cb 0.47 -0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 68.26 2k1w n THR 22 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2k1w n SER 23 N -1.78 7.04 0.00 3.42 2.88 -1.26 -3.21 113.62 120.71 2k1w n SER 23 Ca 0.00 -2.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.05 2k1w n SER 23 Cb 0.00 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 2k1w n SER 23 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k1w n ASP 24 N 3.99 0.00 -4.91 -3.46 2.03 -1.26 -5.04 116.55 107.90 2k1w n ASP 24 Ca 0.64 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.68 2k1w n ASP 24 Cb 0.20 0.23 0.01 0.00 -0.72 0.00 0.00 41.12 40.84 2k1w n ASP 24 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k1w s GLN 25 N -1.60 3.30 -0.13 -0.67 1.11 -1.20 -5.04 119.66 115.43 2k1w s GLN 25 Ca 0.00 0.13 -0.17 0.00 0.01 0.00 0.00 55.36 55.33 2k1w s GLN 25 Cb 0.00 -2.33 -0.15 0.00 -1.01 0.00 0.00 33.01 29.52 2k1w s GLN 25 CO 0.00 -0.41 0.40 -1.00 0.01 0.00 0.00 175.29 174.29 2k1w h PRO 26 N 0.06 0.00 0.00 2.91 0.13 -1.97 -3.43 132.00 129.70 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 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k1w h PRO 26 CO 0.61 0.58 0.00 0.41 -0.23 0.00 0.00 178.00 179.37 2k1w n GLY 27 N 1.66 -1.35 3.19 1.56 0.00 -1.26 -4.80 105.19 104.19 2k1w n GLY 27 Ca -0.08 0.71 -0.09 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.14 -0.30 4.61 0.00 -1.26 -4.76 121.76 118.91 2k1w s ALA 28 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 2k1w s ALA 28 Cb 0.00 0.47 0.12 0.00 0.00 0.00 0.00 23.12 23.71 2k1w s ALA 28 CO 0.00 -0.50 0.66 0.20 0.00 0.00 0.00 175.76 176.12 2k1w s GLY 29 N -2.87 -0.71 -0.25 0.00 0.00 -1.26 -4.81 107.32 97.42 2k1w s GLY 29 Ca 0.05 2.37 -0.16 0.00 0.00 0.00 0.00 44.72 46.98 2k1w s GLY 29 CO -0.11 2.95 0.63 0.99 0.00 0.00 0.00 173.10 177.56 2k1w s ASP 30 N 2.66 -0.81 -0.54 1.64 1.01 -1.26 -5.12 116.67 114.25 2k1w s ASP 30 Ca -0.07 1.36 -0.22 0.00 0.71 0.00 0.00 52.55 54.33 2k1w s ASP 30 Cb -0.11 1.26 0.05 0.00 1.01 0.00 0.00 42.92 45.13 2k1w s ASP 30 CO -0.19 -0.23 0.82 0.20 0.21 0.00 0.00 175.17 175.98 2k1w s ASN 31 N 1.30 6.29 0.00 0.27 -0.87 -1.26 -4.68 114.94 115.99 2k1w s ASN 31 Ca -0.08 -0.58 0.00 0.00 -1.57 0.00 0.00 52.86 50.63 2k1w s ASN 31 Cb -0.06 -2.38 0.00 0.00 -0.02 0.00 0.00 41.25 38.79 2k1w s ASN 31 CO -0.14 -1.11 0.00 0.00 -2.57 0.00 0.00 177.10 173.28 2k1w n LEU 32 N 6.98 0.00 -4.87 0.60 -0.00 -1.22 -5.08 117.00 113.42 2k1w n LEU 32 Ca -0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.69 2k1w n LEU 32 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.85 2k1w n LEU 32 CO 0.60 0.00 0.47 0.21 -0.00 0.00 0.00 177.39 178.68 2k1w s ASN 33 N -0.65 6.55 -1.07 1.45 3.84 -1.26 0.15 114.94 123.94 2k1w s ASN 33 Ca 0.00 1.20 -0.18 0.00 0.21 0.00 0.00 52.86 54.09 2k1w s ASN 33 Cb 0.00 -2.35 -0.07 0.00 -0.55 0.00 0.00 41.25 38.28 2k1w s ASN 33 CO 0.00 -0.42 2.06 0.47 -2.79 0.00 0.00 177.10 176.43 2k1w n ASP 34 N -1.29 3.14 -4.56 -4.21 8.00 -1.26 -3.92 116.55 112.45 2k1w n ASP 34 Ca 0.03 -2.75 -0.27 0.00 0.71 0.00 0.00 54.79 52.52 2k1w n ASP 34 Cb 0.54 -1.35 0.13 0.00 -0.02 0.00 0.00 41.12 40.41 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 1.45 0.15 -1.24 3.01 -1.26 -4.48 119.74 121.57 2k1w s LYS 35 Ca 0.53 -0.50 -0.34 0.00 -1.01 0.00 0.00 55.97 54.64 2k1w s LYS 35 Cb 0.14 -2.07 -0.15 0.00 -1.01 0.00 0.00 37.83 34.74 2k1w s LYS 35 CO 0.03 -1.77 1.34 1.51 0.51 0.00 0.00 175.35 176.97 2k1w n ILE 36 N -3.25 0.44 -4.33 2.17 3.06 -1.26 -4.83 119.36 111.36 2k1w n ILE 36 Ca 0.13 -0.11 -0.18 0.00 -2.50 0.00 0.00 62.75 60.09 2k1w n ILE 36 Cb 0.60 -1.07 -0.10 0.00 0.54 0.00 0.00 39.64 39.62 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 0.37 2.42 -0.29 9.51 0.15 -1.26 -0.98 113.70 123.63 2k1w s SER 37 Ca 0.77 -1.02 0.03 0.00 0.70 0.00 0.00 55.95 56.43 2k1w s SER 37 Cb -0.82 -0.11 0.07 0.00 -1.71 0.00 0.00 66.02 63.45 2k1w s SER 37 CO 0.47 -0.20 -0.05 -0.44 1.20 0.00 0.00 173.24 174.22 2k1w s SER 38 N -3.29 4.58 -0.32 5.45 0.01 -0.97 -4.22 113.70 114.96 2k1w s SER 38 Ca 0.21 -1.60 -0.07 0.00 1.31 0.00 0.00 55.95 55.80 2k1w s SER 38 Cb -0.00 -1.59 0.02 0.00 0.21 0.00 0.00 66.02 64.66 2k1w s SER 38 CO 0.06 -0.25 0.11 -0.63 0.41 0.00 0.00 173.24 172.93 2k1w s ILE 39 N 1.06 4.04 -0.31 1.44 1.09 -0.86 -0.32 121.20 127.33 2k1w s ILE 39 Ca -0.03 -0.81 -0.01 0.00 -1.10 0.00 0.00 60.65 58.70 2k1w s ILE 39 Cb -0.20 -3.16 0.10 0.00 -1.06 0.00 0.00 42.46 38.15 2k1w s ILE 39 CO -0.05 -0.03 0.11 -0.75 -0.10 0.00 0.00 174.94 174.12 2k1w s LYS 40 N 1.49 0.64 -0.01 2.79 2.20 -1.22 -0.92 119.74 124.72 2k1w s LYS 40 Ca 0.02 -1.02 -0.12 0.00 -0.36 0.00 0.00 55.97 54.48 2k1w s LYS 40 Cb -0.18 -1.84 0.01 0.00 -1.51 0.00 0.00 37.83 34.32 2k1w s LYS 40 CO 0.03 -1.01 0.24 0.08 -0.36 0.00 0.00 175.35 174.34 2k1w s VAL 41 N 1.64 0.07 -0.40 4.02 1.01 -1.25 -4.05 120.40 121.44 2k1w s VAL 41 Ca 0.10 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2k1w s VAL 41 Cb -0.17 -0.54 0.14 0.00 0.00 0.00 0.00 36.38 35.80 2k1w s VAL 41 CO -0.26 -0.30 0.25 -0.54 0.00 0.00 0.00 175.10 174.25 2k1w s LYS 42 N -1.34 0.88 -0.30 2.72 1.02 -1.26 -1.43 119.74 120.03 2k1w s LYS 42 Ca -0.14 -1.71 -0.01 0.00 0.02 0.00 0.00 55.97 54.12 2k1w s LYS 42 Cb -0.06 -1.70 0.19 0.00 -0.52 0.00 0.00 37.83 35.74 2k1w s LYS 42 CO 0.03 -1.22 0.79 0.45 -0.92 0.00 0.00 175.35 174.48 2k1w s SER 43 N 0.62 -1.10 0.70 2.83 0.15 -1.26 -4.89 113.70 110.75 2k1w s SER 43 Ca 0.20 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.90 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 0.00 173.24 174.83 2k1w n GLY 44 N 5.14 2.05 3.43 9.45 0.00 -1.25 -4.43 105.19 119.59 2k1w n GLY 44 Ca 0.07 -0.41 -0.29 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 2.51 0.14 2.61 -4.23 -1.11 -2.41 115.64 113.15 2k1w s THR 45 Ca 0.00 -1.67 0.05 0.00 -1.18 0.00 0.00 61.69 58.89 2k1w s THR 45 Cb 0.00 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 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 -1.13 1.31 -0.17 3.99 0.51 -0.62 -0.05 118.94 122.77 2k1w s TRP 46 Ca 0.16 -0.68 -0.02 0.00 -2.12 0.00 0.00 56.10 53.43 2k1w s TRP 46 Cb -0.10 -0.67 -0.02 0.00 -0.81 0.00 0.00 33.47 31.88 2k1w s TRP 46 CO 0.08 0.11 -0.07 1.03 -0.51 0.00 0.00 176.95 177.59 2k1w s ARG 47 N -3.37 3.45 -0.07 4.98 3.00 0.89 -1.52 118.95 126.31 2k1w s ARG 47 Ca 0.14 -0.62 0.04 0.00 0.00 0.00 0.00 55.73 55.29 2k1w s ARG 47 Cb -0.00 -2.85 -0.02 0.00 0.00 0.00 0.00 34.95 32.08 2k1w s ARG 47 CO 0.02 0.05 -0.18 -0.06 0.00 0.00 0.00 175.30 175.13 2k1w s PHE 48 N 0.81 2.62 -0.28 -0.53 0.08 0.12 -1.64 117.98 119.16 2k1w s PHE 48 Ca -0.02 -0.49 -0.16 0.00 0.12 0.00 0.00 56.93 56.37 2k1w s PHE 48 Cb -0.15 -1.67 0.08 0.00 -0.57 0.00 0.00 43.02 40.71 2k1w s PHE 48 CO 0.01 -0.07 0.69 1.52 -0.10 0.00 0.00 175.22 177.28 2k1w s TYR 49 N -0.25 -1.07 -1.21 0.36 -0.85 -1.03 -0.08 117.35 113.22 2k1w s TYR 49 Ca 0.00 2.14 -0.06 0.00 -0.52 0.00 0.00 57.07 58.63 2k1w s TYR 49 Cb -0.13 0.64 0.21 0.00 0.38 0.00 0.00 41.96 43.06 2k1w s TYR 49 CO 0.03 -0.53 1.88 -1.91 -1.52 0.00 0.00 175.55 173.50 2k1w n GLU 50 N 4.34 4.28 -3.16 -3.49 0.00 -1.26 -1.60 120.64 119.76 2k1w n GLU 50 Ca -0.20 -3.92 0.00 0.00 0.00 0.00 0.00 57.16 53.04 2k1w n GLU 50 Cb 0.59 -2.70 0.00 0.00 0.00 0.00 0.00 31.44 29.33 2k1w n GLU 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2k1w n TYR 51 N 2.25 0.00 -0.48 4.31 4.01 -0.65 -4.66 117.16 121.94 2k1w n TYR 51 Ca 0.42 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.87 2k1w n TYR 51 Cb 0.32 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.60 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 1.20 0.00 0.05 -0.72 -5.35 -1.23 -4.33 119.36 108.98 2k1w n ILE 52 Ca 0.00 -0.46 -0.06 0.00 -0.27 0.00 0.00 62.75 61.97 2k1w n ILE 52 Cb 0.00 -0.94 0.13 0.00 -1.74 0.00 0.00 39.64 37.09 2k1w n ILE 52 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 2k1w h ASN 53 N -2.72 0.41 -1.99 7.28 -0.73 -1.97 -3.29 115.58 112.57 2k1w h ASN 53 Ca -0.62 -0.20 -0.60 0.00 1.87 0.00 0.00 56.30 56.74 2k1w h ASN 53 Cb 1.34 -0.12 -0.41 0.00 0.27 0.00 0.00 38.32 39.40 2k1w h ASN 53 CO 0.48 0.84 -0.56 0.00 -0.37 0.00 0.00 177.43 177.82 2k1w n TYR 54 N -3.97 3.74 0.00 0.67 0.18 -1.26 -4.78 117.16 111.74 2k1w n TYR 54 Ca -0.02 -3.56 0.00 0.00 1.88 0.00 0.00 57.90 56.20 2k1w n TYR 54 Cb 0.55 -0.38 0.00 0.00 -0.38 0.00 0.00 39.34 39.13 2k1w n TYR 54 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2k1w n GLY 55 N -0.34 -1.79 3.81 -7.48 0.00 -1.24 -5.19 105.19 92.97 2k1w n GLY 55 Ca 0.35 0.66 -0.08 0.00 0.00 0.00 0.00 46.02 46.95 2k1w n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1w s GLY 56 N 0.00 0.36 -0.62 -0.02 0.00 -1.25 -3.62 107.32 102.17 2k1w s GLY 56 Ca 0.00 -0.73 -0.28 0.00 0.00 0.00 0.00 44.72 43.71 2k1w s GLY 56 CO 0.00 -0.12 1.26 -1.60 0.00 0.00 0.00 173.10 172.64 2k1w s ARG 57 N -2.26 3.38 -0.04 2.90 3.00 -1.26 -4.98 118.95 119.68 2k1w s ARG 57 Ca 0.16 0.15 -0.30 0.00 -1.00 0.00 0.00 55.73 54.74 2k1w s ARG 57 Cb -0.05 -4.08 -0.03 0.00 0.00 0.00 0.00 34.95 30.79 2k1w s ARG 57 CO 0.11 -1.87 1.05 -0.47 0.00 0.00 0.00 175.30 174.12 2k1w s TYR 58 N 5.41 3.51 -0.28 5.12 5.04 -1.26 -3.88 117.35 131.01 2k1w s TYR 58 Ca 0.42 1.55 0.01 0.00 -2.44 0.00 0.00 57.07 56.61 2k1w s TYR 58 Cb -0.08 -3.22 0.16 0.00 0.35 0.00 0.00 41.96 39.17 2k1w s TYR 58 CO 0.22 -0.42 0.46 -0.46 -1.34 0.00 0.00 175.55 174.01 2k1w s TRP 59 N 1.57 -1.18 0.25 4.97 -0.00 0.88 -5.00 118.94 120.43 2k1w s TRP 59 Ca 0.52 0.77 0.06 0.00 -0.00 0.00 0.00 56.10 57.45 2k1w s TRP 59 Cb -0.21 0.07 -0.03 0.00 -0.00 0.00 0.00 33.47 33.29 2k1w s TRP 59 CO 0.23 -0.92 0.26 0.16 -0.00 0.00 0.00 176.95 176.69 2k1w s ASP 60 N 2.63 5.84 0.13 5.86 -4.77 -1.26 0.13 116.67 125.24 2k1w s ASP 60 Ca 0.12 -0.13 -0.17 0.00 -3.30 0.00 0.00 52.55 49.07 2k1w s ASP 60 Cb -0.13 -1.58 0.04 0.00 -1.09 0.00 0.00 42.92 40.16 2k1w s ASP 60 CO -0.24 -0.06 0.44 -1.48 0.70 0.00 0.00 175.17 174.53 2k1w s LEU 61 N -3.90 0.22 0.00 2.11 2.34 -0.57 -4.95 118.68 113.93 2k1w s LEU 61 Ca 0.33 -0.27 0.00 0.00 0.06 0.00 0.00 54.13 54.25 2k1w s LEU 61 Cb -0.08 1.98 0.00 0.00 -0.56 0.00 0.00 46.19 47.53 2k1w s LEU 61 CO 0.27 -0.88 0.00 0.61 -1.06 0.00 0.00 176.35 175.28 2k1w n GLY 62 N -0.26 -0.56 3.55 -3.48 0.00 -1.26 -1.59 105.19 101.60 2k1w n GLY 62 Ca -0.16 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.12 2.92 0.02 1.61 0.04 -1.01 -4.78 135.00 132.67 2k1w s PRO 63 Ca 0.00 0.12 -0.28 0.00 0.04 0.00 0.00 61.00 60.88 2k1w s PRO 63 Cb 0.00 -4.35 0.10 0.00 0.04 0.00 0.00 34.50 30.29 2k1w s PRO 63 CO 0.00 -2.47 0.87 0.20 0.04 0.00 0.00 177.00 175.64 2k1w s GLY 64 N 5.98 -0.46 0.02 0.56 0.00 -0.51 -4.84 107.32 108.07 2k1w s GLY 64 Ca 0.52 0.91 0.00 0.00 0.00 0.00 0.00 44.72 46.15 2k1w s GLY 64 CO 0.16 0.30 0.09 1.85 0.00 0.00 0.00 173.10 175.50 2k1w s GLU 65 N -3.18 3.05 0.16 2.90 -6.30 -1.26 -3.80 118.70 110.28 2k1w s GLU 65 Ca 0.05 -0.53 -0.22 0.00 -2.50 0.00 0.00 54.97 51.78 2k1w s GLU 65 Cb -0.01 -2.84 0.06 0.00 0.00 0.00 0.00 34.13 31.34 2k1w s GLU 65 CO -0.08 0.62 0.57 1.52 0.02 0.00 0.00 175.26 177.91 2k1w s TYR 66 N -1.27 -0.45 -0.47 5.30 1.13 -0.09 -5.00 117.35 116.50 2k1w s TYR 66 Ca 0.25 0.21 0.06 0.00 -1.41 0.00 0.00 57.07 56.19 2k1w s TYR 66 Cb -0.12 0.51 0.18 0.00 -1.10 0.00 0.00 41.96 41.43 2k1w s TYR 66 CO 0.17 -0.84 0.62 -1.54 -2.51 0.00 0.00 175.55 171.45 2k1w s SER 67 N -2.77 -0.83 0.89 -0.18 1.04 -1.26 -2.03 113.70 108.56 2k1w s SER 67 Ca 0.02 -1.75 -0.08 0.00 0.48 0.00 0.00 55.95 54.62 2k1w s SER 67 Cb -0.01 1.46 0.14 0.00 0.10 0.00 0.00 66.02 67.71 2k1w s SER 67 CO -0.12 -0.11 0.86 -1.20 0.98 0.00 0.00 173.24 173.66 2k1w n SER 68 N 3.30 0.34 -0.71 7.02 7.64 -1.26 -4.97 113.62 124.98 2k1w n SER 68 Ca 0.18 -1.48 -0.04 0.00 1.01 0.00 0.00 58.87 58.54 2k1w n SER 68 Cb 0.54 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 63.07 2k1w n SER 68 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2k1w n VAL 69 N -3.02 0.00 0.00 0.44 3.14 -1.26 -4.18 118.33 113.46 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 0.41 0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.44 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 -0.44 1.45 0.28 -1.26 -4.94 120.64 115.73 2k1w n GLU 70 Ca -0.14 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 56.89 2k1w n GLU 70 Cb 0.51 0.00 0.20 0.00 1.43 0.00 0.00 31.44 33.58 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 3.32 -0.56 -1.84 3.41 -1.26 -3.64 113.62 113.05 2k1w n SER 71 Ca 0.00 -2.44 0.01 0.00 -0.26 0.00 0.00 58.87 56.18 2k1w n SER 71 Cb 0.00 -0.57 0.02 0.00 -0.26 0.00 0.00 64.21 63.39 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 0.34 2.07 -1.25 7.33 0.00 -1.26 -5.09 120.51 122.65 2k1w n ALA 72 Ca 0.14 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.30 2k1w n ALA 72 Cb 0.70 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.08 -4.02 2.21 0.00 0.00 -1.24 -4.94 105.19 97.12 2k1w n GLY 73 Ca 0.02 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.74 -0.35 -0.06 -0.61 5.41 -1.26 -4.86 119.36 115.89 2k1w n ILE 74 Ca 0.00 -4.29 -0.04 0.00 1.00 0.00 0.00 62.75 59.42 2k1w n ILE 74 Cb 0.21 -0.79 -0.01 0.00 -0.71 0.00 0.00 39.64 38.35 2k1w n ILE 74 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2k1w h PRO 75 N 3.35 0.00 -0.83 0.38 0.11 -1.92 -3.44 132.00 129.65 2k1w h PRO 75 Ca 0.08 0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.41 2k1w h PRO 75 Cb 0.94 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.74 2k1w h PRO 75 CO 0.48 0.00 0.65 0.34 -0.21 0.00 0.00 178.00 179.26 2k1w s ASP 76 N -5.58 -0.11 -1.33 -2.05 -1.08 -1.26 -4.57 116.67 100.70 2k1w s ASP 76 Ca -0.12 0.16 -0.09 0.00 -0.52 0.00 0.00 52.55 51.98 2k1w s ASP 76 Cb 0.02 1.07 -0.07 0.00 -1.46 0.00 0.00 42.92 42.48 2k1w s ASP 76 CO 0.18 -0.02 2.58 -3.20 0.52 0.00 0.00 175.17 175.23 2k1w n ASN 77 N 3.59 6.96 -4.42 -0.34 5.15 0.12 -4.44 115.26 121.89 2k1w n ASN 77 Ca -0.14 -2.49 -0.30 0.00 -0.60 0.00 0.00 54.58 51.06 2k1w n ASN 77 Cb 0.56 -1.37 -0.13 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 2.76 3.53 -1.04 1.20 0.15 -1.25 -3.38 113.70 115.66 2k1w s SER 78 Ca 0.57 -0.59 -0.00 0.00 0.70 0.00 0.00 55.95 56.63 2k1w s SER 78 Cb 0.15 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2k1w s SER 78 CO -0.05 0.22 0.01 -0.38 1.20 0.00 0.00 173.24 174.24 2k1w n ILE 79 N 1.26 -0.59 -3.07 6.45 5.41 -1.26 -4.15 119.36 123.42 2k1w n ILE 79 Ca -0.17 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.23 2k1w n ILE 79 Cb 0.52 -1.72 -0.06 0.00 -0.71 0.00 0.00 39.64 37.67 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 -2.05 7.03 -0.02 4.38 0.01 -1.26 -1.64 113.70 120.16 2k1w s SER 80 Ca 0.01 1.44 -0.30 0.00 1.31 0.00 0.00 55.95 58.42 2k1w s SER 80 Cb -0.00 -2.43 0.07 0.00 0.21 0.00 0.00 66.02 63.86 2k1w s SER 80 CO 0.01 -0.03 0.67 -0.44 0.41 0.00 0.00 173.24 173.86 2k1w s SER 81 N -1.78 -0.64 -0.11 2.44 0.01 -0.63 -4.87 113.70 108.12 2k1w s SER 81 Ca 0.46 0.61 -0.17 0.00 1.31 0.00 0.00 55.95 58.16 2k1w s SER 81 Cb -0.15 0.55 0.04 0.00 0.21 0.00 0.00 66.02 66.66 2k1w s SER 81 CO 0.20 -0.66 0.44 0.72 0.41 0.00 0.00 173.24 174.35 2k1w s PHE 82 N -1.58 -0.43 0.10 2.43 -0.71 -1.26 -2.47 117.98 114.06 2k1w s PHE 82 Ca -0.09 0.95 0.09 0.00 -1.04 0.00 0.00 56.93 56.84 2k1w s PHE 82 Cb -0.00 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.95 2k1w s PHE 82 CO 0.06 -0.32 -0.24 1.03 -1.34 0.00 0.00 175.22 174.41 2k1w s ARG 83 N -0.36 1.34 0.06 1.99 1.81 -0.65 -4.57 118.95 118.57 2k1w s ARG 83 Ca -0.05 -1.20 0.05 0.00 -1.72 0.00 0.00 55.73 52.81 2k1w s ARG 83 Cb -0.03 -1.68 -0.04 0.00 -0.45 0.00 0.00 34.95 32.75 2k1w s ARG 83 CO 0.03 0.40 -0.07 -0.65 -0.68 0.00 0.00 175.30 174.33 2k1w s GLN 84 N -1.80 2.39 0.00 3.54 1.11 -1.26 -0.08 119.66 123.56 2k1w s GLN 84 Ca 0.10 -0.86 0.00 0.00 0.01 0.00 0.00 55.36 54.61 2k1w s GLN 84 Cb -0.10 -2.43 0.00 0.00 -1.01 0.00 0.00 33.01 29.47 2k1w s GLN 84 CO 0.04 0.55 0.50 -0.89 0.01 0.00 0.00 175.29 175.51