#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1w n ASN 2 N 0.00 5.88 -4.11 7.83 0.23 -1.26 -4.91 115.26 118.93 2k1w n ASN 2 Ca 0.00 -3.24 -0.36 0.00 -0.53 0.00 0.00 54.58 50.44 2k1w n ASN 2 Cb 0.00 -1.36 -0.07 0.00 -2.08 0.00 0.00 39.78 36.27 2k1w n ASN 2 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k1w s ALA 3 N -1.50 4.20 -0.36 -2.53 0.00 -1.26 -4.80 121.76 115.51 2k1w s ALA 3 Ca 0.34 -3.80 0.14 0.00 0.00 0.00 0.00 51.96 48.64 2k1w s ALA 3 Cb 0.02 -2.82 0.43 0.00 0.00 0.00 0.00 23.12 20.75 2k1w s ALA 3 CO 0.04 -2.15 1.19 0.00 0.00 0.00 0.00 175.76 174.84 2k1w n ALA 4 N 2.42 2.28 -3.64 0.00 0.00 -1.26 -5.00 120.51 115.31 2k1w n ALA 4 Ca 0.20 -2.11 -0.19 0.00 0.00 0.00 0.00 53.44 51.35 2k1w n ALA 4 Cb 0.37 -0.96 -0.16 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.36 0.03 -0.33 0.00 2.02 -1.26 -4.65 118.70 113.14 2k1w s GLU 5 Ca 0.24 0.41 0.02 0.00 0.02 0.00 0.00 54.97 55.66 2k1w s GLU 5 Cb 0.42 -0.61 0.10 0.00 0.10 0.00 0.00 34.13 34.15 2k1w s GLU 5 CO -0.04 -0.39 0.07 0.08 0.02 0.00 0.00 175.26 175.01 2k1w s VAL 6 N 2.25 1.75 -0.37 2.63 1.01 -0.88 -4.43 120.40 122.36 2k1w s VAL 6 Ca 0.04 -2.01 -0.05 0.00 0.00 0.00 0.00 61.98 59.97 2k1w s VAL 6 Cb -0.13 -2.30 0.08 0.00 0.00 0.00 0.00 36.38 34.03 2k1w s VAL 6 CO -0.06 -0.63 0.15 -0.51 0.00 0.00 0.00 175.10 174.04 2k1w s ILE 7 N 1.15 3.51 0.23 2.22 2.07 -1.26 -1.94 121.20 127.19 2k1w s ILE 7 Ca 0.11 -1.60 0.09 0.00 -1.41 0.00 0.00 60.65 57.84 2k1w s ILE 7 Cb -0.18 -3.18 -0.05 0.00 0.13 0.00 0.00 42.46 39.18 2k1w s ILE 7 CO -0.14 -0.42 -0.16 0.68 -1.91 0.00 0.00 174.94 172.98 2k1w s VAL 8 N 1.27 1.98 -0.04 4.00 -7.23 0.09 -3.36 120.40 117.12 2k1w s VAL 8 Ca 0.02 -2.27 0.06 0.00 -1.81 0.00 0.00 61.98 57.98 2k1w s VAL 8 Cb -0.22 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 2k1w s VAL 8 CO -0.01 -0.52 -0.22 -0.31 -0.31 0.00 0.00 175.10 173.73 2k1w s TYR 9 N -2.82 2.46 -0.34 2.82 1.51 0.10 -0.03 117.35 121.05 2k1w s TYR 9 Ca 0.25 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 2k1w s TYR 9 Cb -0.02 -1.56 0.49 0.00 -0.11 0.00 0.00 41.96 40.77 2k1w s TYR 9 CO 0.10 0.01 1.62 -1.91 -1.11 0.00 0.00 175.55 174.25 2k1w n GLU 10 N 2.48 2.16 -1.74 -0.62 4.07 -1.25 -3.51 120.64 122.23 2k1w n GLU 10 Ca -0.17 -2.15 0.00 0.00 -0.06 0.00 0.00 57.16 54.78 2k1w n GLU 10 Cb 0.51 -1.87 0.00 0.00 -0.06 0.00 0.00 31.44 30.03 2k1w n GLU 10 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2k1w n HIS 11 N -0.51 -0.17 -1.41 4.31 -0.00 -1.26 -4.89 115.22 111.28 2k1w n HIS 11 Ca 0.39 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 58.23 2k1w n HIS 11 Cb 1.28 0.00 0.09 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 0.93 -2.46 120.40 122.80 2k1w s VAL 12 Ca 0.00 0.15 -0.32 0.00 -2.93 0.00 0.00 61.98 58.88 2k1w s VAL 12 Cb 0.00 -2.71 -0.11 0.00 -1.53 0.00 0.00 36.38 32.03 2k1w s VAL 12 CO 0.00 -0.08 1.58 -1.13 -3.33 0.00 0.00 175.10 172.14 2k1w h ASN 13 N -0.34 -1.30 -0.60 3.54 -0.73 -1.91 -1.27 115.58 112.97 2k1w h ASN 13 Ca -0.47 0.14 -0.35 0.00 1.87 0.00 0.00 56.30 57.48 2k1w h ASN 13 Cb 1.29 0.48 -0.14 0.00 0.27 0.00 0.00 38.32 40.23 2k1w h ASN 13 CO 0.49 -0.51 0.34 2.22 -0.37 0.00 0.00 177.43 179.61 2k1w n PHE 14 N -5.47 1.39 0.00 0.67 1.16 -1.26 -3.96 117.46 109.99 2k1w n PHE 14 Ca -0.08 -1.89 0.00 0.00 -1.87 0.00 0.00 57.45 53.61 2k1w n PHE 14 Cb 0.39 -1.10 0.00 0.00 -1.61 0.00 0.00 39.48 37.16 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 3.57 4.97 0.00 -0.71 -5.17 105.19 108.54 2k1w n GLY 15 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.05 0.30 -0.02 0.00 -0.56 -3.77 107.32 103.22 2k1w s GLY 16 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 44.72 44.37 2k1w s GLY 16 CO 0.00 -0.25 0.61 -1.59 0.00 0.00 0.00 173.10 171.87 2k1w s LYS 17 N -3.89 3.74 -0.53 2.90 0.00 -1.26 -4.97 119.74 115.73 2k1w s LYS 17 Ca 0.10 0.24 -0.18 0.00 0.00 0.00 0.00 55.97 56.13 2k1w s LYS 17 Cb -0.02 -2.57 0.08 0.00 0.00 0.00 0.00 37.83 35.32 2k1w s LYS 17 CO -0.01 0.18 0.61 -1.54 0.00 0.00 0.00 175.35 174.60 2k1w s SER 18 N -2.86 6.20 -0.68 0.03 1.04 -1.26 -3.75 113.70 112.41 2k1w s SER 18 Ca 0.47 -1.19 -0.21 0.00 0.48 0.00 0.00 55.95 55.50 2k1w s SER 18 Cb -0.11 -2.27 0.09 0.00 0.10 0.00 0.00 66.02 63.82 2k1w s SER 18 CO 0.27 -0.93 0.93 0.12 0.98 0.00 0.00 173.24 174.60 2k1w s PHE 19 N 2.45 2.81 -0.17 5.02 2.19 0.96 -4.95 117.98 126.29 2k1w s PHE 19 Ca 0.12 -0.76 -0.01 0.00 0.33 0.00 0.00 56.93 56.61 2k1w s PHE 19 Cb -0.22 -4.23 -0.01 0.00 -1.31 0.00 0.00 43.02 37.26 2k1w s PHE 19 CO 0.09 -1.55 -0.12 0.16 1.83 0.00 0.00 175.22 175.63 2k1w s ASP 20 N 3.66 3.90 0.12 6.13 1.47 -1.26 -0.73 116.67 129.97 2k1w s ASP 20 Ca 0.21 -0.42 -0.25 0.00 1.18 0.00 0.00 52.55 53.27 2k1w s ASP 20 Cb -0.17 -1.62 0.07 0.00 -0.34 0.00 0.00 42.92 40.86 2k1w s ASP 20 CO 0.07 0.07 0.86 0.00 0.68 0.00 0.00 175.17 176.85 2k1w s ALA 21 N 0.91 -1.64 0.70 2.11 0.00 -0.82 -5.00 121.76 118.02 2k1w s ALA 21 Ca -0.03 0.39 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 2k1w s ALA 21 Cb -0.15 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.62 2k1w s ALA 21 CO -0.01 -0.90 0.10 0.25 0.00 0.00 0.00 175.76 175.21 2k1w n THR 22 N -0.39 0.00 -1.13 0.00 -2.24 -1.26 -2.07 114.28 107.19 2k1w n THR 22 Ca -0.08 -0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.26 2k1w n THR 22 Cb 0.61 -1.64 -0.03 0.00 -2.10 0.00 0.00 70.33 67.17 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 -3.03 7.50 -0.71 3.42 2.88 -1.26 -3.37 113.62 119.05 2k1w n SER 23 Ca 0.01 -2.49 -0.03 0.00 -1.33 0.00 0.00 58.87 55.03 2k1w n SER 23 Cb 0.05 -1.42 -0.03 0.00 -0.75 0.00 0.00 64.21 62.06 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 3.69 -0.49 -4.97 -3.46 -0.08 -1.26 -5.12 116.55 104.86 2k1w n ASP 24 Ca 0.67 -1.29 -0.21 0.00 -1.51 0.00 0.00 54.79 52.44 2k1w n ASP 24 Cb 0.24 0.15 -0.01 0.00 2.34 0.00 0.00 41.12 43.83 2k1w n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k1w s GLN 25 N 0.00 3.39 -0.18 -0.67 -2.07 -1.22 -5.00 119.66 113.92 2k1w s GLN 25 Ca 0.00 -0.70 -0.06 0.00 -1.82 0.00 0.00 55.36 52.78 2k1w s GLN 25 Cb 0.00 -2.82 -0.21 0.00 -1.09 0.00 0.00 33.01 28.89 2k1w s GLN 25 CO 0.00 0.29 3.46 -0.35 -1.32 0.00 0.00 175.29 177.38 2k1w n PRO 26 N -1.55 2.19 0.00 9.60 -0.04 -1.26 -4.97 135.00 138.97 2k1w n PRO 26 Ca -0.06 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 2k1w n PRO 26 Cb 0.57 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 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 2.35 1.67 3.90 0.55 0.00 -1.26 -4.62 105.19 107.78 2k1w n GLY 27 Ca 0.46 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.56 3.91 -0.25 4.61 0.00 -1.26 -4.84 121.76 122.37 2k1w s ALA 28 Ca 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 2k1w s ALA 28 Cb 0.00 -1.97 0.10 0.00 0.00 0.00 0.00 23.12 21.25 2k1w s ALA 28 CO 0.00 0.73 0.20 0.20 0.00 0.00 0.00 175.76 176.89 2k1w s GLY 29 N -2.15 0.16 0.16 0.00 0.00 -1.26 -4.38 107.32 99.85 2k1w s GLY 29 Ca 0.33 -0.40 -0.24 0.00 0.00 0.00 0.00 44.72 44.41 2k1w s GLY 29 CO 0.22 2.22 0.77 -0.35 0.00 0.00 0.00 173.10 175.95 2k1w s ASP 30 N 2.24 -0.36 -0.29 1.64 2.15 -1.26 -5.11 116.67 115.68 2k1w s ASP 30 Ca 0.08 -0.26 -0.03 0.00 0.43 0.00 0.00 52.55 52.77 2k1w s ASP 30 Cb -0.15 0.57 0.11 0.00 -0.30 0.00 0.00 42.92 43.15 2k1w s ASP 30 CO -0.25 -1.00 0.18 0.21 -0.17 0.00 0.00 175.17 174.14 2k1w s ASN 31 N -2.79 2.96 0.00 -0.34 2.47 -1.26 -4.25 114.94 111.73 2k1w s ASN 31 Ca 0.07 -1.17 0.00 0.00 0.42 0.00 0.00 52.86 52.18 2k1w s ASN 31 Cb -0.02 -0.09 0.00 0.00 -1.45 0.00 0.00 41.25 39.68 2k1w s ASN 31 CO -0.03 -0.42 0.00 -0.11 -3.72 0.00 0.00 177.10 172.82 2k1w n LEU 32 N 5.22 0.00 -4.82 3.21 7.94 -0.83 -5.04 117.00 122.68 2k1w n LEU 32 Ca -0.04 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.51 2k1w n LEU 32 Cb 0.43 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 0.47 0.20 -1.11 0.00 0.00 177.39 176.98 2k1w s ASN 33 N 1.98 7.01 -1.05 1.96 0.01 -1.26 0.44 114.94 124.03 2k1w s ASN 33 Ca 0.00 1.46 -0.19 0.00 -0.71 0.00 0.00 52.86 53.42 2k1w s ASN 33 Cb 0.00 -2.44 -0.08 0.00 0.41 0.00 0.00 41.25 39.14 2k1w s ASN 33 CO 0.00 -0.08 2.02 0.47 -1.51 0.00 0.00 177.10 178.00 2k1w n ASP 34 N 0.29 3.11 -4.61 -1.22 8.00 -1.26 -4.11 116.55 116.75 2k1w n ASP 34 Ca 0.01 -2.75 -0.27 0.00 0.71 0.00 0.00 54.79 52.50 2k1w n ASP 34 Cb 0.52 -1.36 0.12 0.00 -0.02 0.00 0.00 41.12 40.37 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 4.43 1.57 -0.22 -1.24 3.01 -1.26 -4.42 119.74 121.61 2k1w s LYS 35 Ca 0.54 -0.52 -0.37 0.00 -1.01 0.00 0.00 55.97 54.61 2k1w s LYS 35 Cb 0.13 -2.11 -0.14 0.00 -1.01 0.00 0.00 37.83 34.71 2k1w s LYS 35 CO 0.05 -1.67 1.85 1.51 0.51 0.00 0.00 175.35 177.59 2k1w n ILE 36 N -3.17 0.40 -4.16 2.17 3.06 -1.26 -4.80 119.36 111.60 2k1w n ILE 36 Ca 0.12 -0.10 -0.22 0.00 -2.50 0.00 0.00 62.75 60.05 2k1w n ILE 36 Cb 0.60 -1.52 -0.05 0.00 0.54 0.00 0.00 39.64 39.21 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 4.17 5.27 -0.34 9.51 0.15 -1.26 -0.05 113.70 131.16 2k1w s SER 37 Ca 0.98 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 57.31 2k1w s SER 37 Cb -0.91 -1.26 0.10 0.00 -1.71 0.00 0.00 66.02 62.25 2k1w s SER 37 CO 0.59 -0.03 0.06 -0.44 1.20 0.00 0.00 173.24 174.62 2k1w s SER 38 N -3.80 4.69 -0.36 5.45 0.01 -1.03 -3.92 113.70 114.74 2k1w s SER 38 Ca 0.33 -2.13 -0.07 0.00 1.31 0.00 0.00 55.95 55.39 2k1w s SER 38 Cb -0.07 -1.56 0.05 0.00 0.21 0.00 0.00 66.02 64.65 2k1w s SER 38 CO 0.24 -0.38 0.15 -0.63 0.41 0.00 0.00 173.24 173.02 2k1w s ILE 39 N 0.95 3.85 -0.32 1.44 1.09 -0.61 0.00 121.20 127.60 2k1w s ILE 39 Ca 0.11 -1.26 0.01 0.00 -1.10 0.00 0.00 60.65 58.41 2k1w s ILE 39 Cb -0.19 -3.25 0.10 0.00 -1.06 0.00 0.00 42.46 38.06 2k1w s ILE 39 CO -0.10 -0.29 0.08 -0.75 -0.10 0.00 0.00 174.94 173.79 2k1w s LYS 40 N 1.39 1.00 0.01 2.79 2.20 -1.21 0.02 119.74 125.93 2k1w s LYS 40 Ca 0.00 -1.38 -0.09 0.00 -0.36 0.00 0.00 55.97 54.14 2k1w s LYS 40 Cb -0.20 -2.44 0.01 0.00 -1.51 0.00 0.00 37.83 33.68 2k1w s LYS 40 CO 0.02 -0.97 0.19 0.08 -0.36 0.00 0.00 175.35 174.31 2k1w s VAL 41 N 1.34 0.08 -0.43 4.02 1.01 -1.25 -4.03 120.40 121.15 2k1w s VAL 41 Ca 0.10 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.42 2k1w s VAL 41 Cb -0.18 -0.56 0.15 0.00 0.00 0.00 0.00 36.38 35.78 2k1w s VAL 41 CO -0.19 -0.37 0.27 -0.75 0.00 0.00 0.00 175.10 174.06 2k1w s LYS 42 N -1.59 1.09 -0.30 2.72 2.20 -1.26 -2.12 119.74 120.48 2k1w s LYS 42 Ca -0.13 -1.93 -0.02 0.00 -0.36 0.00 0.00 55.97 53.53 2k1w s LYS 42 Cb -0.06 -1.94 0.19 0.00 -1.51 0.00 0.00 37.83 34.51 2k1w s LYS 42 CO 0.01 -1.23 0.81 -1.54 -0.36 0.00 0.00 175.35 173.04 2k1w s SER 43 N 0.37 -1.06 0.81 1.43 1.04 -1.26 -4.86 113.70 110.16 2k1w s SER 43 Ca 0.21 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2k1w s SER 43 Cb -0.17 1.64 0.00 0.00 0.10 0.00 0.00 66.02 67.59 2k1w s SER 43 CO -0.05 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2k1w n GLY 44 N 5.18 2.23 3.38 7.32 0.00 -1.25 -4.50 105.19 117.54 2k1w n GLY 44 Ca 0.07 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 2.15 0.09 2.61 -4.23 -1.12 -3.26 115.64 111.87 2k1w s THR 45 Ca 0.00 -1.85 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 2k1w s THR 45 Cb 0.00 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 2k1w s THR 45 CO 0.00 -0.07 -0.08 0.26 -0.54 0.00 0.00 174.62 174.20 2k1w s TRP 46 N -1.44 0.89 -0.27 3.99 0.51 -0.87 -0.09 118.94 121.67 2k1w s TRP 46 Ca 0.16 -0.75 -0.01 0.00 -2.12 0.00 0.00 56.10 53.37 2k1w s TRP 46 Cb -0.09 -0.51 0.04 0.00 -0.81 0.00 0.00 33.47 32.10 2k1w s TRP 46 CO 0.07 -0.09 -0.04 1.03 -0.51 0.00 0.00 176.95 177.41 2k1w s ARG 47 N -3.07 2.67 -0.14 4.98 3.00 -0.94 -1.63 118.95 123.83 2k1w s ARG 47 Ca 0.05 -1.09 -0.07 0.00 0.00 0.00 0.00 55.73 54.62 2k1w s ARG 47 Cb -0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 34.95 31.86 2k1w s ARG 47 CO -0.02 -0.48 0.12 -0.06 0.00 0.00 0.00 175.30 174.86 2k1w s PHE 48 N 1.29 3.52 -0.28 -0.53 0.08 0.10 -2.78 117.98 119.38 2k1w s PHE 48 Ca -0.02 0.45 -0.19 0.00 0.12 0.00 0.00 56.93 57.29 2k1w s PHE 48 Cb -0.18 -1.98 0.08 0.00 -0.57 0.00 0.00 43.02 40.37 2k1w s PHE 48 CO -0.03 0.60 0.72 1.52 -0.10 0.00 0.00 175.22 177.93 2k1w s TYR 49 N -0.68 -0.95 -1.26 0.36 -0.85 -0.99 -0.41 117.35 112.58 2k1w s TYR 49 Ca 0.13 2.01 -0.07 0.00 -0.52 0.00 0.00 57.07 58.62 2k1w s TYR 49 Cb -0.12 0.51 0.18 0.00 0.38 0.00 0.00 41.96 42.91 2k1w s TYR 49 CO 0.02 -0.47 2.02 -0.85 -1.52 0.00 0.00 175.55 174.76 2k1w n GLU 50 N 3.74 4.23 -3.26 -3.49 0.28 -1.26 -1.44 120.64 119.44 2k1w n GLU 50 Ca -0.18 -3.71 0.00 0.00 -0.16 0.00 0.00 57.16 53.11 2k1w n GLU 50 Cb 0.58 -2.73 0.00 0.00 1.43 0.00 0.00 31.44 30.72 2k1w n GLU 50 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 2k1w n TYR 51 N 2.46 0.00 -0.22 -1.84 4.19 0.30 -4.65 117.16 117.41 2k1w n TYR 51 Ca 0.47 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 61.46 2k1w n TYR 51 Cb 0.31 0.00 0.21 0.00 0.49 0.00 0.00 39.34 40.35 2k1w n TYR 51 CO 0.00 0.00 0.00 0.44 0.91 0.00 0.00 176.86 178.21 2k1w n ILE 52 N 2.30 0.00 0.23 2.97 -5.35 -1.25 -4.25 119.36 114.01 2k1w n ILE 52 Ca 0.00 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.61 2k1w n ILE 52 Cb 0.00 -0.71 0.32 0.00 -1.74 0.00 0.00 39.64 37.51 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 -3.18 0.00 -1.96 7.28 -1.24 -1.97 -3.37 115.58 111.15 2k1w h ASN 53 Ca -0.28 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.20 2k1w h ASN 53 Cb 0.96 0.00 -0.39 0.00 0.73 0.00 0.00 38.32 39.62 2k1w h ASN 53 CO 0.17 0.03 -1.13 0.00 -1.29 0.00 0.00 177.43 175.21 2k1w n TYR 54 N -3.11 -0.23 0.00 0.67 0.18 -1.26 -4.91 117.16 108.49 2k1w n TYR 54 Ca 0.03 -3.62 0.00 0.00 1.88 0.00 0.00 57.90 56.19 2k1w n TYR 54 Cb 0.47 -0.33 0.00 0.00 -0.38 0.00 0.00 39.34 39.10 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 1.00 -0.66 1.37 -7.48 0.00 -1.26 -5.18 105.19 92.98 2k1w n GLY 55 Ca 0.22 0.24 -0.03 0.00 0.00 0.00 0.00 46.02 46.45 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 1.59 3.57 -0.02 0.00 -1.26 -4.16 105.19 104.91 2k1w n GLY 56 Ca 0.00 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.03 3.42 -0.04 1.61 3.00 -1.26 -4.96 118.95 118.68 2k1w s ARG 57 Ca 0.06 0.15 -0.30 0.00 -1.00 0.00 0.00 55.73 54.64 2k1w s ARG 57 Cb -0.02 -4.06 -0.03 0.00 0.00 0.00 0.00 34.95 30.84 2k1w s ARG 57 CO 0.04 -1.82 1.05 -0.47 0.00 0.00 0.00 175.30 174.11 2k1w s TYR 58 N 5.24 3.50 -0.28 5.12 5.04 -1.26 -3.92 117.35 130.78 2k1w s TYR 58 Ca 0.42 1.53 0.02 0.00 -2.44 0.00 0.00 57.07 56.60 2k1w s TYR 58 Cb -0.08 -3.23 0.17 0.00 0.35 0.00 0.00 41.96 39.17 2k1w s TYR 58 CO 0.23 -0.46 0.46 -0.46 -1.34 0.00 0.00 175.55 173.98 2k1w s TRP 59 N 1.61 -1.22 0.22 4.97 -0.00 0.46 -5.01 118.94 119.97 2k1w s TRP 59 Ca 0.52 0.65 0.06 0.00 -0.00 0.00 0.00 56.10 57.33 2k1w s TRP 59 Cb -0.21 0.02 -0.04 0.00 -0.00 0.00 0.00 33.47 33.24 2k1w s TRP 59 CO 0.23 -0.97 0.18 0.16 -0.00 0.00 0.00 176.95 176.56 2k1w s ASP 60 N 2.63 5.57 0.15 5.86 -4.77 -1.26 0.01 116.67 124.86 2k1w s ASP 60 Ca 0.11 -0.19 -0.23 0.00 -3.30 0.00 0.00 52.55 48.94 2k1w s ASP 60 Cb -0.12 -1.45 0.07 0.00 -1.09 0.00 0.00 42.92 40.33 2k1w s ASP 60 CO -0.27 -0.00 0.62 -1.48 0.70 0.00 0.00 175.17 174.74 2k1w s LEU 61 N -3.58 -0.55 0.00 2.11 0.05 -0.65 -4.96 118.68 111.10 2k1w s LEU 61 Ca 0.32 -0.01 0.00 0.00 0.05 0.00 0.00 54.13 54.49 2k1w s LEU 61 Cb -0.09 2.57 0.00 0.00 -2.05 0.00 0.00 46.19 46.62 2k1w s LEU 61 CO 0.25 -0.95 0.00 0.61 -0.55 0.00 0.00 176.35 175.70 2k1w n GLY 62 N -0.37 0.11 3.55 -3.48 0.00 -1.26 -2.06 105.19 101.68 2k1w n GLY 62 Ca -0.16 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 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 0.53 2.30 0.04 1.61 0.04 -1.20 -4.87 135.00 133.45 2k1w s PRO 63 Ca 0.00 0.86 -0.27 0.00 0.04 0.00 0.00 61.00 61.62 2k1w s PRO 63 Cb 0.00 -4.57 0.09 0.00 0.04 0.00 0.00 34.50 30.06 2k1w s PRO 63 CO 0.00 -3.19 0.87 0.20 0.04 0.00 0.00 177.00 174.92 2k1w s GLY 64 N 10.11 -0.43 0.36 0.56 0.00 -0.90 -4.90 107.32 112.11 2k1w s GLY 64 Ca 0.83 0.78 -0.07 0.00 0.00 0.00 0.00 44.72 46.26 2k1w s GLY 64 CO 0.20 0.25 0.67 1.85 0.00 0.00 0.00 173.10 176.07 2k1w s GLU 65 N -3.22 3.68 -0.05 2.90 2.12 -1.26 -3.81 118.70 119.07 2k1w s GLU 65 Ca 0.06 0.21 -0.03 0.00 0.36 0.00 0.00 54.97 55.57 2k1w s GLU 65 Cb -0.01 -2.51 0.02 0.00 0.26 0.00 0.00 34.13 31.89 2k1w s GLU 65 CO -0.07 0.07 0.11 -0.47 -0.54 0.00 0.00 175.26 174.36 2k1w s TYR 66 N -2.27 -0.12 -0.42 5.30 5.04 0.10 -4.97 117.35 120.02 2k1w s TYR 66 Ca 0.47 0.34 0.08 0.00 -2.44 0.00 0.00 57.07 55.52 2k1w s TYR 66 Cb -0.10 -0.03 0.36 0.00 0.35 0.00 0.00 41.96 42.53 2k1w s TYR 66 CO 0.32 -0.10 1.27 -1.13 -1.34 0.00 0.00 175.55 174.57 2k1w n SER 67 N 3.59 -2.04 -4.39 4.32 3.41 -1.25 -1.57 113.62 115.69 2k1w n SER 67 Ca -0.19 -2.87 -0.27 0.00 -0.26 0.00 0.00 58.87 55.28 2k1w n SER 67 Cb 0.55 1.33 0.15 0.00 -0.26 0.00 0.00 64.21 65.99 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 3.68 0.00 4.04 0.01 -1.26 -4.94 113.70 114.03 2k1w s SER 68 Ca 0.22 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2k1w s SER 68 Cb 0.36 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.38 2k1w s SER 68 CO -0.08 -2.34 0.54 0.55 0.41 0.00 0.00 173.24 172.33 2k1w n VAL 69 N -3.35 0.00 0.00 3.43 3.14 -1.26 -4.16 118.33 116.13 2k1w n VAL 69 Ca 0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 2k1w n VAL 69 Cb 0.60 0.26 0.00 0.00 -1.06 0.00 0.00 33.84 33.64 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 -0.46 1.45 0.28 -1.26 -4.95 120.64 115.69 2k1w n GLU 70 Ca -0.15 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 56.89 2k1w n GLU 70 Cb 0.49 0.00 0.21 0.00 1.43 0.00 0.00 31.44 33.57 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 3.43 0.00 -1.84 2.88 -1.26 -4.68 113.62 112.15 2k1w n SER 71 Ca 0.00 -2.47 0.00 0.00 -1.33 0.00 0.00 58.87 55.07 2k1w n SER 71 Cb 0.00 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 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 0.23 -3.47 -1.46 0.00 -1.26 -5.11 120.51 109.78 2k1w n ALA 72 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.59 2k1w n ALA 72 Cb 0.73 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.13 2k1w n ALA 72 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k1w s GLY 73 N -0.23 0.10 -0.67 0.00 0.00 -1.26 -5.08 107.32 100.18 2k1w s GLY 73 Ca 0.00 3.33 0.05 0.00 0.00 0.00 0.00 44.72 48.10 2k1w s GLY 73 CO 0.00 3.01 0.92 1.39 0.00 0.00 0.00 173.10 178.42 2k1w n ILE 74 N 4.21 3.02 -0.06 0.90 5.41 -1.26 -4.86 119.36 126.72 2k1w n ILE 74 Ca -0.13 -5.44 -0.03 0.00 1.00 0.00 0.00 62.75 58.16 2k1w n ILE 74 Cb 0.55 -1.84 -0.01 0.00 -0.71 0.00 0.00 39.64 37.63 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 3.87 0.00 0.00 0.38 0.11 -1.98 -3.45 132.00 130.93 2k1w h PRO 75 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 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 0.89 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.28 2k1w n ASP 76 N -4.63 0.00 -3.25 -2.05 5.75 -1.26 -4.68 116.55 106.42 2k1w n ASP 76 Ca -0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.41 2k1w n ASP 76 Cb 0.15 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 2k1w n ASP 76 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2k1w n ASN 77 N 0.00 7.55 -4.52 -1.12 5.15 0.17 -4.52 115.26 117.97 2k1w n ASN 77 Ca 0.00 -2.49 -0.33 0.00 -0.60 0.00 0.00 54.58 51.16 2k1w n ASN 77 Cb 0.00 -1.41 -0.12 0.00 -0.53 0.00 0.00 39.78 37.72 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 2.55 4.37 -1.54 1.20 0.15 -1.25 -1.97 113.70 117.21 2k1w s SER 78 Ca 0.60 -0.11 -0.11 0.00 0.70 0.00 0.00 55.95 57.03 2k1w s SER 78 Cb 0.16 -1.10 0.08 0.00 -1.71 0.00 0.00 66.02 63.45 2k1w s SER 78 CO -0.05 0.33 0.76 -0.38 1.20 0.00 0.00 173.24 175.11 2k1w n ILE 79 N 2.40 -2.18 -2.83 6.45 5.41 -1.26 -3.57 119.36 123.77 2k1w n ILE 79 Ca -0.18 -0.17 -0.41 0.00 1.00 0.00 0.00 62.75 63.00 2k1w n ILE 79 Cb 0.53 -2.51 -0.04 0.00 -0.71 0.00 0.00 39.64 36.90 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 -3.65 7.36 0.05 4.38 0.01 -1.26 -0.54 113.70 120.05 2k1w s SER 80 Ca 0.47 1.63 -0.14 0.00 1.31 0.00 0.00 55.95 59.22 2k1w s SER 80 Cb -0.25 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.47 2k1w s SER 80 CO 0.87 -0.07 0.33 -0.44 0.41 0.00 0.00 173.24 174.34 2k1w s SER 81 N 0.16 -0.15 -0.22 2.44 0.01 -0.52 -4.09 113.70 111.33 2k1w s SER 81 Ca 0.44 -0.20 -0.15 0.00 1.31 0.00 0.00 55.95 57.35 2k1w s SER 81 Cb -0.22 0.38 0.06 0.00 0.21 0.00 0.00 66.02 66.46 2k1w s SER 81 CO 0.27 -0.65 0.56 0.72 0.41 0.00 0.00 173.24 174.54 2k1w s PHE 82 N -2.73 -0.76 -0.21 2.43 -0.71 -1.26 -2.34 117.98 112.39 2k1w s PHE 82 Ca -0.04 1.65 -0.03 0.00 -1.04 0.00 0.00 56.93 57.47 2k1w s PHE 82 Cb -0.00 0.37 -0.01 0.00 -1.21 0.00 0.00 43.02 42.17 2k1w s PHE 82 CO -0.04 -0.39 -0.06 1.03 -1.34 0.00 0.00 175.22 174.42 2k1w s ARG 83 N 1.06 3.35 0.07 1.99 1.81 -1.12 -4.27 118.95 121.84 2k1w s ARG 83 Ca -0.06 -0.64 -0.19 0.00 -1.72 0.00 0.00 55.73 53.12 2k1w s ARG 83 Cb -0.06 -2.96 -0.07 0.00 -0.45 0.00 0.00 34.95 31.42 2k1w s ARG 83 CO -0.10 -0.17 0.55 -0.65 -0.68 0.00 0.00 175.30 174.25 2k1w s GLN 84 N 1.40 4.17 0.00 3.54 1.11 -1.26 -2.21 119.66 126.41 2k1w s GLN 84 Ca 0.05 0.70 0.11 0.00 0.01 0.00 0.00 55.36 56.23 2k1w s GLN 84 Cb -0.14 -3.23 0.09 0.00 -1.01 0.00 0.00 33.01 28.72 2k1w s GLN 84 CO -0.04 0.64 0.85 -0.89 0.01 0.00 0.00 175.29 175.86