#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 6.01 -0.65 6.12 -0.87 -1.26 -4.99 114.94 119.30 2k1w s ASN 2 Ca 0.00 0.02 0.01 0.00 -1.57 0.00 0.00 52.86 51.32 2k1w s ASN 2 Cb 0.00 -2.10 0.40 0.00 -0.02 0.00 0.00 41.25 39.53 2k1w s ASN 2 CO 0.00 -0.01 1.69 0.00 -2.57 0.00 0.00 177.10 176.21 2k1w n ALA 3 N 4.78 5.94 -2.74 0.60 0.00 -1.26 -4.53 120.51 123.29 2k1w n ALA 3 Ca -0.14 -4.03 -0.02 0.00 0.00 0.00 0.00 53.44 49.24 2k1w n ALA 3 Cb 0.52 -1.38 0.09 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.61 2.66 -3.46 0.00 0.00 -1.26 -4.99 120.51 112.85 2k1w n ALA 4 Ca 0.50 -1.95 -0.12 0.00 0.00 0.00 0.00 53.44 51.87 2k1w n ALA 4 Cb 0.50 -0.87 -0.12 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.77 0.25 -0.30 0.00 2.02 -1.26 -4.75 118.70 112.89 2k1w s GLU 5 Ca 0.19 0.45 -0.03 0.00 0.02 0.00 0.00 54.97 55.60 2k1w s GLU 5 Cb 0.39 -0.00 0.10 0.00 0.10 0.00 0.00 34.13 34.72 2k1w s GLU 5 CO -0.07 -0.11 0.12 0.08 0.02 0.00 0.00 175.26 175.31 2k1w s VAL 6 N 0.76 0.20 -0.35 2.63 1.01 -1.06 -4.48 120.40 119.10 2k1w s VAL 6 Ca -0.05 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 2k1w s VAL 6 Cb -0.06 -1.18 0.05 0.00 0.00 0.00 0.00 36.38 35.19 2k1w s VAL 6 CO -0.05 -0.72 0.12 -0.51 0.00 0.00 0.00 175.10 173.94 2k1w s ILE 7 N 1.94 3.74 0.13 2.22 2.07 -1.26 -2.00 121.20 128.05 2k1w s ILE 7 Ca 0.09 -1.24 0.04 0.00 -1.41 0.00 0.00 60.65 58.14 2k1w s ILE 7 Cb -0.17 -3.17 -0.04 0.00 0.13 0.00 0.00 42.46 39.21 2k1w s ILE 7 CO -0.33 -0.24 -0.10 0.68 -1.91 0.00 0.00 174.94 173.04 2k1w s VAL 8 N 1.38 1.08 0.03 4.00 -7.23 0.28 -3.37 120.40 116.57 2k1w s VAL 8 Ca -0.01 -1.98 0.08 0.00 -1.81 0.00 0.00 61.98 58.26 2k1w s VAL 8 Cb -0.20 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 2k1w s VAL 8 CO 0.02 -0.73 -0.22 -0.31 -0.31 0.00 0.00 175.10 173.55 2k1w s TYR 9 N -3.21 2.44 -0.36 2.82 1.51 0.85 -0.10 117.35 121.31 2k1w s TYR 9 Ca 0.14 -0.34 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 2k1w s TYR 9 Cb 0.02 -1.45 0.53 0.00 -0.11 0.00 0.00 41.96 40.95 2k1w s TYR 9 CO -0.00 0.15 1.68 -1.91 -1.11 0.00 0.00 175.55 174.36 2k1w n GLU 10 N 1.84 2.22 -3.44 -0.62 0.00 -0.97 -3.35 120.64 116.32 2k1w n GLU 10 Ca -0.17 -2.34 0.01 0.00 0.00 0.00 0.00 57.16 54.66 2k1w n GLU 10 Cb 0.52 -1.93 0.01 0.00 0.00 0.00 0.00 31.44 30.04 2k1w n GLU 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2k1w n HIS 11 N -0.62 -0.60 -1.58 4.31 -0.00 -1.25 -4.74 115.22 110.73 2k1w n HIS 11 Ca 0.43 -0.69 -0.35 0.00 0.46 0.00 0.00 57.72 57.58 2k1w n HIS 11 Cb 1.36 0.32 0.08 0.00 -0.12 0.00 0.00 29.99 31.63 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 -2.09 2.36 0.11 3.57 0.11 -0.18 -3.08 120.40 121.20 2k1w s VAL 12 Ca 0.21 0.19 -0.29 0.00 -2.93 0.00 0.00 61.98 59.16 2k1w s VAL 12 Cb -0.01 -2.85 -0.08 0.00 -1.53 0.00 0.00 36.38 31.91 2k1w s VAL 12 CO 0.01 -0.08 1.61 -1.13 -3.33 0.00 0.00 175.10 172.18 2k1w h ASN 13 N 0.02 -0.99 0.00 3.54 -0.73 -1.93 -2.64 115.58 112.85 2k1w h ASN 13 Ca -0.49 0.12 -0.68 0.00 1.87 0.00 0.00 56.30 57.12 2k1w h ASN 13 Cb 1.30 0.38 -0.00 0.00 0.27 0.00 0.00 38.32 40.26 2k1w h ASN 13 CO 0.51 -0.42 3.39 2.22 -0.37 0.00 0.00 177.43 182.76 2k1w n PHE 14 N -5.43 2.92 0.00 0.67 -1.74 -1.26 -4.04 117.46 108.58 2k1w n PHE 14 Ca -0.07 -2.94 0.00 0.00 -0.56 0.00 0.00 57.45 53.88 2k1w n PHE 14 Cb 0.34 -2.47 0.00 0.00 1.52 0.00 0.00 39.48 38.87 2k1w n PHE 14 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k1w n GLY 15 N 3.89 0.38 3.71 4.97 0.00 -1.15 -5.18 105.19 111.80 2k1w n GLY 15 Ca 0.63 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.27 0.08 -0.02 0.00 -1.01 -3.88 107.32 102.21 2k1w s GLY 16 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 44.72 44.50 2k1w s GLY 16 CO 0.00 -0.00 0.56 -1.59 0.00 0.00 0.00 173.10 172.07 2k1w s LYS 17 N -3.86 4.18 -0.03 2.90 0.00 -1.26 -4.95 119.74 116.72 2k1w s LYS 17 Ca 0.08 0.72 -0.11 0.00 0.00 0.00 0.00 55.97 56.66 2k1w s LYS 17 Cb -0.04 -3.22 -0.05 0.00 0.00 0.00 0.00 37.83 34.52 2k1w s LYS 17 CO 0.00 0.63 0.30 -1.54 0.00 0.00 0.00 175.35 174.74 2k1w s SER 18 N -1.14 6.62 -0.30 0.03 1.04 -1.26 -2.29 113.70 116.39 2k1w s SER 18 Ca 0.29 0.73 -0.02 0.00 0.48 0.00 0.00 55.95 57.44 2k1w s SER 18 Cb -0.19 -2.16 0.10 0.00 0.10 0.00 0.00 66.02 63.87 2k1w s SER 18 CO 0.19 0.33 0.12 0.12 0.98 0.00 0.00 173.24 174.98 2k1w s PHE 19 N -1.11 1.03 -0.47 5.02 5.36 0.85 -4.99 117.98 123.66 2k1w s PHE 19 Ca 0.22 -1.33 0.02 0.00 -0.96 0.00 0.00 56.93 54.88 2k1w s PHE 19 Cb -0.14 -1.31 0.12 0.00 -0.34 0.00 0.00 43.02 41.35 2k1w s PHE 19 CO 0.11 -0.85 0.22 0.16 -1.46 0.00 0.00 175.22 173.40 2k1w s ASP 20 N 1.82 4.72 0.18 6.13 -4.77 -1.26 -0.56 116.67 122.94 2k1w s ASP 20 Ca 0.10 -2.61 0.01 0.00 -3.30 0.00 0.00 52.55 46.75 2k1w s ASP 20 Cb -0.17 -1.70 -0.05 0.00 -1.09 0.00 0.00 42.92 39.92 2k1w s ASP 20 CO -0.30 -0.34 0.02 0.00 0.70 0.00 0.00 175.17 175.25 2k1w s ALA 21 N 0.27 1.34 0.67 2.11 0.00 -0.85 -4.94 121.76 120.36 2k1w s ALA 21 Ca 0.14 -1.61 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 2k1w s ALA 21 Cb -0.23 0.64 0.05 0.00 0.00 0.00 0.00 23.12 23.58 2k1w s ALA 21 CO -0.03 -0.35 0.29 2.41 0.00 0.00 0.00 175.76 178.08 2k1w n THR 22 N -0.25 0.00 -2.18 0.00 -1.04 -1.26 -2.57 114.28 106.98 2k1w n THR 22 Ca -0.06 -0.36 -0.31 0.00 -2.04 0.00 0.00 64.05 61.29 2k1w n THR 22 Cb 0.64 -1.48 -0.05 0.00 -1.82 0.00 0.00 70.33 67.61 2k1w n THR 22 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2k1w s SER 23 N -2.15 5.42 -0.08 8.00 0.15 -1.26 -4.04 113.70 119.74 2k1w s SER 23 Ca 0.18 -1.77 0.01 0.00 0.70 0.00 0.00 55.95 55.07 2k1w s SER 23 Cb -0.01 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.74 2k1w s SER 23 CO 0.12 -2.66 0.67 -0.67 1.20 0.00 0.00 173.24 171.91 2k1w n ASP 24 N 13.07 -0.30 -3.94 5.45 -0.08 -1.26 -5.17 116.55 124.32 2k1w n ASP 24 Ca 0.45 -1.19 -0.09 0.00 -1.51 0.00 0.00 54.79 52.45 2k1w n ASP 24 Cb 0.47 0.25 -0.07 0.00 2.34 0.00 0.00 41.12 44.10 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 0.01 0.99 0.00 -0.67 1.11 -1.26 -5.03 119.66 114.81 2k1w s GLN 25 Ca 0.01 -1.11 0.25 0.00 0.01 0.00 0.00 55.36 54.51 2k1w s GLN 25 Cb 0.03 0.34 1.48 0.00 -1.01 0.00 0.00 33.01 33.86 2k1w s GLN 25 CO -0.01 -0.33 1.95 -0.35 0.01 0.00 0.00 175.29 176.56 2k1w n PRO 26 N -0.13 1.01 0.00 2.91 -0.04 -1.26 -4.95 135.00 132.54 2k1w n PRO 26 Ca -0.11 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2k1w n PRO 26 Cb 0.63 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.89 1.31 3.41 0.55 0.00 -1.26 -3.98 105.19 106.11 2k1w n GLY 27 Ca 0.19 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 0.51 -0.27 4.61 0.00 -1.26 -4.99 121.76 119.35 2k1w s ALA 28 Ca 0.00 -1.32 -0.00 0.00 0.00 0.00 0.00 51.96 50.64 2k1w s ALA 28 Cb 0.00 1.23 0.16 0.00 0.00 0.00 0.00 23.12 24.51 2k1w s ALA 28 CO 0.00 -0.73 0.45 0.20 0.00 0.00 0.00 175.76 175.68 2k1w s GLY 29 N -3.11 -0.67 0.15 0.00 0.00 -1.26 -4.70 107.32 97.73 2k1w s GLY 29 Ca 0.31 0.92 -0.24 0.00 0.00 0.00 0.00 44.72 45.71 2k1w s GLY 29 CO 0.12 3.03 0.71 0.51 0.00 0.00 0.00 173.10 177.46 2k1w s ASP 30 N 2.64 -0.44 -0.29 1.64 -4.77 -1.26 -5.12 116.67 109.06 2k1w s ASP 30 Ca 0.13 -0.16 0.04 0.00 -3.30 0.00 0.00 52.55 49.27 2k1w s ASP 30 Cb -0.14 0.58 0.18 0.00 -1.09 0.00 0.00 42.92 42.45 2k1w s ASP 30 CO -0.22 -0.98 0.51 0.54 0.70 0.00 0.00 175.17 175.72 2k1w s ASN 31 N -2.75 -0.74 -0.32 2.11 2.20 -1.23 -4.33 114.94 109.88 2k1w s ASN 31 Ca 0.05 -0.08 0.04 0.00 -0.94 0.00 0.00 52.86 51.93 2k1w s ASN 31 Cb -0.02 1.62 0.28 0.00 -2.00 0.00 0.00 41.25 41.13 2k1w s ASN 31 CO -0.07 -0.32 1.34 0.00 -2.94 0.00 0.00 177.10 175.11 2k1w n LEU 32 N 5.38 -1.18 -1.30 3.54 -0.00 -1.26 -4.98 117.00 117.20 2k1w n LEU 32 Ca 0.03 -1.81 0.00 0.00 -0.00 0.00 0.00 56.01 54.23 2k1w n LEU 32 Cb 0.52 0.97 0.00 0.00 -0.00 0.00 0.00 43.42 44.91 2k1w n LEU 32 CO -0.04 1.50 -0.34 -3.20 -0.00 0.00 0.00 177.39 175.31 2k1w n ASN 33 N 0.29 -7.20 -4.75 1.45 5.15 -1.26 -4.78 115.26 104.16 2k1w n ASN 33 Ca -0.10 0.95 -0.37 0.00 -0.60 0.00 0.00 54.58 54.45 2k1w n ASN 33 Cb 0.74 -3.26 0.04 0.00 -0.53 0.00 0.00 39.78 36.77 2k1w n ASN 33 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2k1w s ASP 34 N -1.82 5.18 0.16 1.20 1.01 -1.26 -4.06 116.67 117.07 2k1w s ASP 34 Ca 0.00 2.61 -0.13 0.00 0.71 0.00 0.00 52.55 55.74 2k1w s ASP 34 Cb 0.00 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.32 2k1w s ASP 34 CO 0.00 -1.61 0.37 -0.75 0.21 0.00 0.00 175.17 173.39 2k1w s LYS 35 N -3.09 1.18 0.25 8.23 2.47 -1.26 -4.80 119.74 122.72 2k1w s LYS 35 Ca 0.75 -0.96 -0.30 0.00 -1.56 0.00 0.00 55.97 53.89 2k1w s LYS 35 Cb -0.36 0.44 -0.14 0.00 -1.46 0.00 0.00 37.83 36.30 2k1w s LYS 35 CO 0.41 -0.46 1.17 1.51 0.16 0.00 0.00 175.35 178.15 2k1w n ILE 36 N -0.24 1.45 -4.15 5.43 3.06 -1.26 -4.83 119.36 118.82 2k1w n ILE 36 Ca -0.11 -0.36 -0.11 0.00 -2.50 0.00 0.00 62.75 59.67 2k1w n ILE 36 Cb 0.63 -1.13 -0.10 0.00 0.54 0.00 0.00 39.64 39.58 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 -0.18 1.11 -0.38 9.51 0.01 -1.26 -1.01 113.70 121.50 2k1w s SER 37 Ca 0.64 -0.90 -0.08 0.00 1.31 0.00 0.00 55.95 56.93 2k1w s SER 37 Cb -0.72 0.07 0.06 0.00 0.21 0.00 0.00 66.02 65.65 2k1w s SER 37 CO 0.56 -0.39 0.18 -0.55 0.41 0.00 0.00 173.24 173.44 2k1w s SER 38 N -2.69 5.48 -0.42 2.44 0.15 -1.18 -4.13 113.70 113.35 2k1w s SER 38 Ca 0.07 -1.33 -0.04 0.00 0.70 0.00 0.00 55.95 55.35 2k1w s SER 38 Cb 0.01 -1.93 0.11 0.00 -1.71 0.00 0.00 66.02 62.51 2k1w s SER 38 CO -0.03 -0.43 0.23 -0.63 1.20 0.00 0.00 173.24 173.58 2k1w s ILE 39 N 1.41 3.42 -0.33 6.45 1.09 -0.82 -0.10 121.20 132.31 2k1w s ILE 39 Ca 0.01 -2.05 0.02 0.00 -1.10 0.00 0.00 60.65 57.54 2k1w s ILE 39 Cb -0.21 -3.33 0.10 0.00 -1.06 0.00 0.00 42.46 37.96 2k1w s ILE 39 CO 0.02 -0.71 0.07 -0.75 -0.10 0.00 0.00 174.94 173.48 2k1w s LYS 40 N 1.14 1.19 0.02 2.79 2.36 -1.22 -0.10 119.74 125.93 2k1w s LYS 40 Ca 0.08 -1.58 -0.11 0.00 -2.55 0.00 0.00 55.97 51.81 2k1w s LYS 40 Cb -0.23 -2.75 0.01 0.00 -1.05 0.00 0.00 37.83 33.81 2k1w s LYS 40 CO -0.04 -0.96 0.23 0.08 1.55 0.00 0.00 175.35 176.21 2k1w s VAL 41 N 1.16 0.09 -0.42 4.02 1.01 -1.25 -4.06 120.40 120.94 2k1w s VAL 41 Ca 0.11 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.40 2k1w s VAL 41 Cb -0.18 -0.71 0.14 0.00 0.00 0.00 0.00 36.38 35.62 2k1w s VAL 41 CO -0.14 -0.39 0.26 -0.54 0.00 0.00 0.00 175.10 174.28 2k1w s LYS 42 N -1.93 1.06 -0.30 2.72 3.01 -1.26 -2.19 119.74 120.86 2k1w s LYS 42 Ca -0.10 -1.87 -0.01 0.00 -1.01 0.00 0.00 55.97 52.98 2k1w s LYS 42 Cb -0.04 -1.95 0.19 0.00 -1.01 0.00 0.00 37.83 35.03 2k1w s LYS 42 CO -0.00 -1.21 0.78 0.45 0.51 0.00 0.00 175.35 175.88 2k1w s SER 43 N 0.45 -1.12 0.70 2.83 0.15 -1.26 -4.65 113.70 110.80 2k1w s SER 43 Ca 0.20 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2k1w s SER 43 Cb -0.19 1.70 0.00 0.00 -1.71 0.00 0.00 66.02 65.82 2k1w s SER 43 CO -0.03 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2k1w n GLY 44 N 5.24 2.08 3.42 9.45 0.00 -1.25 -4.45 105.19 119.67 2k1w n GLY 44 Ca 0.07 -0.41 -0.28 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 2.37 0.15 2.61 -4.23 -1.07 -3.31 115.64 112.16 2k1w s THR 45 Ca 0.00 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 58.63 2k1w s THR 45 Cb 0.00 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 2k1w s THR 45 CO 0.00 -0.05 -0.10 0.26 -0.54 0.00 0.00 174.62 174.19 2k1w s TRP 46 N -1.47 1.28 -0.25 3.99 0.51 -0.83 -0.08 118.94 122.08 2k1w s TRP 46 Ca 0.19 -0.76 0.00 0.00 -2.12 0.00 0.00 56.10 53.41 2k1w s TRP 46 Cb -0.09 -0.65 0.04 0.00 -0.81 0.00 0.00 33.47 31.96 2k1w s TRP 46 CO 0.09 0.09 -0.09 1.03 -0.51 0.00 0.00 176.95 177.56 2k1w s ARG 47 N -3.75 2.63 -0.15 4.98 3.00 -0.04 -1.89 118.95 123.74 2k1w s ARG 47 Ca 0.17 -1.10 -0.07 0.00 0.00 0.00 0.00 55.73 54.73 2k1w s ARG 47 Cb 0.02 -2.92 -0.04 0.00 0.00 0.00 0.00 34.95 32.02 2k1w s ARG 47 CO 0.01 -0.45 0.08 -0.06 0.00 0.00 0.00 175.30 174.87 2k1w s PHE 48 N 1.24 3.33 -0.28 -0.53 0.08 0.11 -2.37 117.98 119.56 2k1w s PHE 48 Ca -0.03 0.23 -0.17 0.00 0.12 0.00 0.00 56.93 57.09 2k1w s PHE 48 Cb -0.17 -2.00 0.08 0.00 -0.57 0.00 0.00 43.02 40.35 2k1w s PHE 48 CO -0.06 0.37 0.70 1.52 -0.10 0.00 0.00 175.22 177.65 2k1w s TYR 49 N -0.19 -1.04 -1.15 0.36 -0.85 -1.02 -0.38 117.35 113.08 2k1w s TYR 49 Ca 0.08 2.11 -0.05 0.00 -0.52 0.00 0.00 57.07 58.69 2k1w s TYR 49 Cb -0.12 0.61 0.25 0.00 0.38 0.00 0.00 41.96 43.08 2k1w s TYR 49 CO 0.01 -0.52 1.77 0.39 -1.52 0.00 0.00 175.55 175.68 2k1w n GLU 50 N 4.20 4.49 -2.88 -3.49 1.02 -1.25 -1.64 120.64 121.08 2k1w n GLU 50 Ca -0.20 -4.19 0.02 0.00 -0.02 0.00 0.00 57.16 52.78 2k1w n GLU 50 Cb 0.59 -2.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 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 1.70 -0.03 -0.69 -0.32 4.01 0.11 -4.68 117.16 117.27 2k1w n TYR 51 Ca 0.38 -0.23 -0.31 0.00 -0.16 0.00 0.00 57.90 57.58 2k1w n TYR 51 Cb 0.31 0.10 0.17 0.00 -0.31 0.00 0.00 39.34 39.61 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 -0.43 0.06 0.11 -0.72 3.06 -1.23 -4.42 119.36 115.79 2k1w n ILE 52 Ca 0.03 -0.01 0.12 0.00 -2.50 0.00 0.00 62.75 60.38 2k1w n ILE 52 Cb 0.25 -0.99 0.62 0.00 0.54 0.00 0.00 39.64 40.06 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 -1.87 0.09 -4.02 9.51 -0.00 -1.97 -3.32 115.58 114.00 2k1w h ASN 53 Ca -0.43 -0.00 -0.63 0.00 -0.00 0.00 0.00 56.30 55.24 2k1w h ASN 53 Cb 1.27 -0.02 -0.41 0.00 -0.00 0.00 0.00 38.32 39.17 2k1w h ASN 53 CO 0.41 0.06 -0.67 -0.72 -0.00 0.00 0.00 177.43 176.51 2k1w s TYR 54 N -5.14 2.68 0.00 0.67 -0.85 -1.26 -4.84 117.35 108.62 2k1w s TYR 54 Ca -0.06 -2.87 0.00 0.00 -0.52 0.00 0.00 57.07 53.63 2k1w s TYR 54 Cb 0.18 -2.44 0.00 0.00 0.38 0.00 0.00 41.96 40.09 2k1w s TYR 54 CO 0.70 -0.76 0.00 0.41 -1.52 0.00 0.00 175.55 174.39 2k1w n GLY 55 N 3.29 0.36 2.57 5.49 0.00 -1.25 -5.17 105.19 110.48 2k1w n GLY 55 Ca 0.06 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 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 1.28 3.57 -0.02 0.00 -1.26 -4.15 105.19 104.61 2k1w n GLY 56 Ca 0.00 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 3.36 -0.06 1.61 3.00 -1.26 -4.99 118.95 118.54 2k1w s ARG 57 Ca 0.11 0.11 -0.27 0.00 -1.00 0.00 0.00 55.73 54.69 2k1w s ARG 57 Cb -0.03 -4.09 -0.03 0.00 0.00 0.00 0.00 34.95 30.79 2k1w s ARG 57 CO 0.08 -1.90 0.85 -0.47 0.00 0.00 0.00 175.30 173.86 2k1w s TYR 58 N 5.45 3.58 -0.28 5.12 5.04 -1.26 -3.88 117.35 131.12 2k1w s TYR 58 Ca 0.42 1.45 0.02 0.00 -2.44 0.00 0.00 57.07 56.52 2k1w s TYR 58 Cb -0.08 -2.99 0.17 0.00 0.35 0.00 0.00 41.96 39.41 2k1w s TYR 58 CO 0.22 -0.02 0.46 -0.46 -1.34 0.00 0.00 175.55 174.41 2k1w s TRP 59 N 1.17 -1.22 0.25 4.97 -0.00 0.49 -5.01 118.94 119.59 2k1w s TRP 59 Ca 0.44 0.73 0.06 0.00 -0.00 0.00 0.00 56.10 57.33 2k1w s TRP 59 Cb -0.19 0.05 -0.03 0.00 -0.00 0.00 0.00 33.47 33.30 2k1w s TRP 59 CO 0.21 -0.95 0.25 0.16 -0.00 0.00 0.00 176.95 176.62 2k1w s ASP 60 N 2.64 5.79 0.16 5.86 -4.77 -1.26 0.08 116.67 125.17 2k1w s ASP 60 Ca 0.12 -0.14 -0.23 0.00 -3.30 0.00 0.00 52.55 48.99 2k1w s ASP 60 Cb -0.13 -1.56 0.07 0.00 -1.09 0.00 0.00 42.92 40.22 2k1w s ASP 60 CO -0.26 -0.05 0.61 -1.48 0.70 0.00 0.00 175.17 174.69 2k1w s LEU 61 N -3.88 -0.56 0.00 2.11 0.05 -0.79 -4.95 118.68 110.66 2k1w s LEU 61 Ca 0.33 -0.02 0.00 0.00 0.05 0.00 0.00 54.13 54.50 2k1w s LEU 61 Cb -0.08 2.59 0.00 0.00 -2.05 0.00 0.00 46.19 46.65 2k1w s LEU 61 CO 0.26 -0.97 0.00 0.61 -0.55 0.00 0.00 176.35 175.70 2k1w n GLY 62 N -0.38 0.12 3.56 -3.48 0.00 -1.26 -1.97 105.19 101.78 2k1w n GLY 62 Ca -0.16 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 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 0.00 2.59 0.02 1.61 0.04 -1.21 -4.86 135.00 133.20 2k1w s PRO 63 Ca 0.00 1.01 -0.28 0.00 0.04 0.00 0.00 61.00 61.77 2k1w s PRO 63 Cb 0.00 -4.42 0.10 0.00 0.04 0.00 0.00 34.50 30.22 2k1w s PRO 63 CO 0.00 -2.75 0.87 0.20 0.04 0.00 0.00 177.00 175.36 2k1w s GLY 64 N 9.03 -0.45 0.38 0.56 0.00 -0.93 -4.91 107.32 111.00 2k1w s GLY 64 Ca 0.79 0.88 -0.07 0.00 0.00 0.00 0.00 44.72 46.32 2k1w s GLY 64 CO 0.24 0.29 0.69 1.85 0.00 0.00 0.00 173.10 176.17 2k1w s GLU 65 N -3.19 3.67 -0.04 2.90 2.12 -1.26 -3.76 118.70 119.14 2k1w s GLU 65 Ca 0.05 0.22 -0.03 0.00 0.36 0.00 0.00 54.97 55.58 2k1w s GLU 65 Cb -0.01 -2.48 0.01 0.00 0.26 0.00 0.00 34.13 31.91 2k1w s GLU 65 CO -0.08 0.02 0.09 -0.47 -0.54 0.00 0.00 175.26 174.28 2k1w s TYR 66 N -2.35 -0.10 -0.36 5.30 5.04 0.86 -4.95 117.35 120.80 2k1w s TYR 66 Ca 0.48 0.26 0.11 0.00 -2.44 0.00 0.00 57.07 55.47 2k1w s TYR 66 Cb -0.10 0.01 0.39 0.00 0.35 0.00 0.00 41.96 42.60 2k1w s TYR 66 CO 0.34 -0.06 1.43 -1.13 -1.34 0.00 0.00 175.55 174.79 2k1w n SER 67 N 3.21 -1.66 -4.61 4.32 3.41 -1.26 -1.94 113.62 115.09 2k1w n SER 67 Ca -0.14 -2.31 -0.27 0.00 -0.26 0.00 0.00 58.87 55.89 2k1w n SER 67 Cb 0.58 0.85 0.12 0.00 -0.26 0.00 0.00 64.21 65.50 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 -1.13 4.14 0.00 4.04 0.01 -1.26 -4.97 113.70 114.53 2k1w s SER 68 Ca 0.15 0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.61 2k1w s SER 68 Cb 0.41 -0.58 0.01 0.00 0.21 0.00 0.00 66.02 66.07 2k1w s SER 68 CO -0.11 -2.04 0.64 0.55 0.41 0.00 0.00 173.24 172.70 2k1w n VAL 69 N -3.18 0.00 -1.76 3.43 3.14 -1.26 -4.27 118.33 114.43 2k1w n VAL 69 Ca 0.12 -0.02 -0.02 0.00 -2.96 0.00 0.00 64.34 61.46 2k1w n VAL 69 Cb 0.60 0.15 -0.01 0.00 -1.06 0.00 0.00 33.84 33.52 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 0.01 0.05 -0.60 1.45 0.28 -1.26 -4.94 120.64 115.63 2k1w n GLU 70 Ca -0.05 -0.26 -0.01 0.00 -0.16 0.00 0.00 57.16 56.68 2k1w n GLU 70 Cb 0.57 0.45 -0.01 0.00 1.43 0.00 0.00 31.44 33.87 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 -0.06 -0.08 -0.51 -1.84 2.88 -1.26 -4.90 113.62 107.85 2k1w n SER 71 Ca -0.07 -1.36 0.02 0.00 -1.33 0.00 0.00 58.87 56.14 2k1w n SER 71 Cb 0.40 -0.02 0.03 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.02 2.11 -2.12 -1.46 0.00 -1.26 -5.10 120.51 112.70 2k1w n ALA 72 Ca -0.03 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 51.95 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 -0.24 -5.40 2.70 0.00 0.00 -1.26 -4.95 105.19 96.04 2k1w n GLY 73 Ca 0.04 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 1.58 3.01 -0.06 -0.61 5.41 -1.26 -4.86 119.36 122.58 2k1w n ILE 74 Ca 0.00 -5.46 -0.04 0.00 1.00 0.00 0.00 62.75 58.25 2k1w n ILE 74 Cb 0.00 -1.74 -0.01 0.00 -0.71 0.00 0.00 39.64 37.17 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 0.31 0.37 -3.63 0.38 -0.02 -1.26 -4.73 135.00 126.41 2k1w n PRO 75 Ca 0.31 0.45 -0.12 0.00 -2.02 0.00 0.00 63.50 62.12 2k1w n PRO 75 Cb 0.39 -1.48 -0.07 0.00 -0.02 0.00 0.00 33.50 32.32 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 -5.31 -0.76 -0.35 2.55 1.47 -1.26 -4.32 116.67 108.69 2k1w s ASP 76 Ca -0.13 1.41 -0.01 0.00 1.18 0.00 0.00 52.55 55.01 2k1w s ASP 76 Cb 0.02 1.41 0.25 0.00 -0.34 0.00 0.00 42.92 44.26 2k1w s ASP 76 CO 0.19 -0.24 1.98 -3.20 0.68 0.00 0.00 175.17 174.58 2k1w n ASN 77 N 2.99 6.38 -4.84 2.11 5.15 -1.26 -4.27 115.26 121.52 2k1w n ASN 77 Ca -0.15 -3.14 -0.38 0.00 -0.60 0.00 0.00 54.58 50.32 2k1w n ASN 77 Cb 0.56 -1.02 -0.06 0.00 -0.53 0.00 0.00 39.78 38.73 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 -0.10 6.80 -1.51 1.20 0.15 -1.26 -3.52 113.70 115.46 2k1w s SER 78 Ca 0.35 0.96 -0.10 0.00 0.70 0.00 0.00 55.95 57.86 2k1w s SER 78 Cb 0.28 -2.25 0.07 0.00 -1.71 0.00 0.00 66.02 62.41 2k1w s SER 78 CO -0.00 0.30 0.76 -0.38 1.20 0.00 0.00 173.24 175.12 2k1w n ILE 79 N 1.67 -2.41 -2.87 6.45 5.41 -1.26 -3.69 119.36 122.66 2k1w n ILE 79 Ca -0.13 -0.20 -0.40 0.00 1.00 0.00 0.00 62.75 63.02 2k1w n ILE 79 Cb 0.52 -2.66 -0.06 0.00 -0.71 0.00 0.00 39.64 36.73 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 -3.72 7.45 -0.00 4.38 0.01 -1.26 -0.71 113.70 119.85 2k1w s SER 80 Ca 0.43 1.73 -0.29 0.00 1.31 0.00 0.00 55.95 59.12 2k1w s SER 80 Cb -0.22 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.54 2k1w s SER 80 CO 0.86 0.12 0.67 -0.44 0.41 0.00 0.00 173.24 174.86 2k1w s SER 81 N -0.78 -0.64 -0.24 2.44 0.01 -0.65 -4.62 113.70 109.22 2k1w s SER 81 Ca 0.40 0.55 -0.13 0.00 1.31 0.00 0.00 55.95 58.08 2k1w s SER 81 Cb -0.24 0.55 0.07 0.00 0.21 0.00 0.00 66.02 66.62 2k1w s SER 81 CO 0.28 -0.69 0.58 0.72 0.41 0.00 0.00 173.24 174.54 2k1w s PHE 82 N -1.77 -0.90 -0.06 2.43 -0.71 -1.26 -2.42 117.98 113.31 2k1w s PHE 82 Ca -0.08 1.81 0.00 0.00 -1.04 0.00 0.00 56.93 57.62 2k1w s PHE 82 Cb -0.00 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.27 2k1w s PHE 82 CO 0.05 -0.46 -0.03 1.03 -1.34 0.00 0.00 175.22 174.47 2k1w s ARG 83 N 1.61 2.83 -0.09 1.99 1.81 -1.00 -4.11 118.95 121.98 2k1w s ARG 83 Ca -0.10 -0.52 -0.02 0.00 -1.72 0.00 0.00 55.73 53.38 2k1w s ARG 83 Cb -0.07 -2.67 -0.03 0.00 -0.45 0.00 0.00 34.95 31.73 2k1w s ARG 83 CO -0.17 0.67 0.00 -0.65 -0.68 0.00 0.00 175.30 174.47 2k1w s GLN 84 N -1.02 3.01 0.00 3.54 1.11 -1.26 -0.86 119.66 124.18 2k1w s GLN 84 Ca 0.14 -0.40 0.12 0.00 0.01 0.00 0.00 55.36 55.23 2k1w s GLN 84 Cb -0.11 -2.81 0.09 0.00 -1.01 0.00 0.00 33.01 29.17 2k1w s GLN 84 CO 0.04 0.69 0.87 -0.89 0.01 0.00 0.00 175.29 176.01