#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 4.50 -0.44 6.12 0.01 -1.26 -5.08 114.94 118.79 2k1w s ASN 2 Ca 0.00 -0.68 0.07 0.00 -0.71 0.00 0.00 52.86 51.54 2k1w s ASN 2 Cb 0.00 -0.81 0.31 0.00 0.41 0.00 0.00 41.25 41.16 2k1w s ASN 2 CO 0.00 -0.02 0.98 0.00 -1.51 0.00 0.00 177.10 176.55 2k1w n ALA 3 N -0.90 -0.19 -2.69 0.60 0.00 -1.26 -4.93 120.51 111.13 2k1w n ALA 3 Ca -0.06 -1.92 -0.02 0.00 0.00 0.00 0.00 53.44 51.44 2k1w n ALA 3 Cb 0.59 -1.13 0.12 0.00 0.00 0.00 0.00 19.45 19.04 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 0.58 2.79 -3.48 0.00 0.00 -1.26 -5.04 120.51 114.10 2k1w n ALA 4 Ca 0.11 -1.24 -0.24 0.00 0.00 0.00 0.00 53.44 52.07 2k1w n ALA 4 Cb 0.67 -0.84 -0.13 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.36 0.25 -0.42 0.00 2.02 -1.26 -4.67 118.70 114.26 2k1w s GLU 5 Ca 0.12 -0.38 -0.03 0.00 0.02 0.00 0.00 54.97 54.70 2k1w s GLU 5 Cb 0.43 -0.95 0.11 0.00 0.10 0.00 0.00 34.13 33.82 2k1w s GLU 5 CO -0.12 -1.03 0.22 0.08 0.02 0.00 0.00 175.26 174.43 2k1w s VAL 6 N 2.19 3.33 -0.39 2.63 1.01 -1.17 -4.64 120.40 123.36 2k1w s VAL 6 Ca 0.09 -2.07 -0.06 0.00 0.00 0.00 0.00 61.98 59.94 2k1w s VAL 6 Cb -0.15 -3.28 0.08 0.00 0.00 0.00 0.00 36.38 33.03 2k1w s VAL 6 CO -0.35 -0.70 0.20 -0.51 0.00 0.00 0.00 175.10 173.74 2k1w s ILE 7 N 1.12 3.75 0.20 2.22 2.07 -1.25 -2.56 121.20 126.75 2k1w s ILE 7 Ca 0.08 -1.57 0.07 0.00 -1.41 0.00 0.00 60.65 57.83 2k1w s ILE 7 Cb -0.23 -3.34 -0.05 0.00 0.13 0.00 0.00 42.46 38.97 2k1w s ILE 7 CO -0.04 -0.48 -0.14 0.68 -1.91 0.00 0.00 174.94 173.05 2k1w s VAL 8 N 1.32 1.69 -0.01 4.00 -7.23 -0.82 -3.36 120.40 116.00 2k1w s VAL 8 Ca 0.03 -2.20 0.07 0.00 -1.81 0.00 0.00 61.98 58.07 2k1w s VAL 8 Cb -0.22 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 2k1w s VAL 8 CO -0.00 -0.60 -0.21 -0.31 -0.31 0.00 0.00 175.10 173.67 2k1w s TYR 9 N -3.00 2.47 -0.35 2.82 1.51 0.84 -0.41 117.35 121.23 2k1w s TYR 9 Ca 0.22 -0.32 0.04 0.00 -1.01 0.00 0.00 57.07 56.00 2k1w s TYR 9 Cb -0.00 -1.52 0.53 0.00 -0.11 0.00 0.00 41.96 40.86 2k1w s TYR 9 CO 0.06 0.10 1.68 0.39 -1.11 0.00 0.00 175.55 176.67 2k1w n GLU 10 N 2.16 2.20 -1.52 -0.62 4.71 -1.25 -3.49 120.64 122.84 2k1w n GLU 10 Ca -0.16 -2.32 0.00 0.00 -0.01 0.00 0.00 57.16 54.66 2k1w n GLU 10 Cb 0.52 -1.93 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 -0.62 -0.41 -1.87 -0.32 -0.00 -1.26 -4.95 115.22 105.79 2k1w n HIS 11 Ca 0.43 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 58.23 2k1w n HIS 11 Cb 1.35 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 31.26 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 -2.43 2.27 0.16 3.57 0.11 0.82 -3.01 120.40 121.89 2k1w s VAL 12 Ca 0.00 0.20 -0.20 0.00 -2.93 0.00 0.00 61.98 59.04 2k1w s VAL 12 Cb 0.00 -3.10 0.05 0.00 -1.53 0.00 0.00 36.38 31.80 2k1w s VAL 12 CO 0.00 -0.01 1.64 -1.13 -3.33 0.00 0.00 175.10 172.28 2k1w h ASN 13 N 1.47 -0.62 -1.04 3.54 -1.24 -1.90 -3.29 115.58 112.51 2k1w h ASN 13 Ca -0.51 0.13 -0.55 0.00 0.71 0.00 0.00 56.30 56.08 2k1w h ASN 13 Cb 1.29 0.32 -0.09 0.00 0.73 0.00 0.00 38.32 40.57 2k1w h ASN 13 CO 0.57 -0.22 1.39 -0.36 -1.29 0.00 0.00 177.43 177.52 2k1w s PHE 14 N -6.13 2.42 0.00 0.67 0.08 -1.26 -4.07 117.98 109.68 2k1w s PHE 14 Ca -0.14 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.28 2k1w s PHE 14 Cb 0.13 -4.60 0.00 0.00 -0.57 0.00 0.00 43.02 37.98 2k1w s PHE 14 CO 0.69 -1.90 0.00 0.41 -0.10 0.00 0.00 175.22 174.32 2k1w n GLY 15 N 6.85 0.78 3.69 4.36 0.00 -1.25 -5.15 105.19 114.47 2k1w n GLY 15 Ca 0.34 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.30 -0.29 0.01 -0.02 0.00 -1.24 -4.46 107.32 100.01 2k1w s GLY 16 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 44.72 44.52 2k1w s GLY 16 CO 0.00 0.01 0.55 -1.59 0.00 0.00 0.00 173.10 172.07 2k1w s LYS 17 N -3.85 4.24 -0.32 2.90 0.00 -1.26 -5.03 119.74 116.42 2k1w s LYS 17 Ca 0.07 0.66 -0.16 0.00 0.00 0.00 0.00 55.97 56.54 2k1w s LYS 17 Cb -0.04 -3.31 -0.02 0.00 0.00 0.00 0.00 37.83 34.46 2k1w s LYS 17 CO -0.01 0.46 0.43 -1.54 0.00 0.00 0.00 175.35 174.70 2k1w s SER 18 N -0.47 6.27 -0.58 0.03 1.04 -1.26 -3.75 113.70 114.98 2k1w s SER 18 Ca 0.29 0.06 -0.17 0.00 0.48 0.00 0.00 55.95 56.61 2k1w s SER 18 Cb -0.18 -2.23 0.13 0.00 0.10 0.00 0.00 66.02 63.84 2k1w s SER 18 CO 0.16 -0.34 0.57 0.12 0.98 0.00 0.00 173.24 174.74 2k1w s PHE 19 N 2.20 3.23 -0.30 5.02 5.36 0.45 -4.95 117.98 128.98 2k1w s PHE 19 Ca 0.16 -1.27 -0.05 0.00 -0.96 0.00 0.00 56.93 54.81 2k1w s PHE 19 Cb -0.16 -3.85 0.03 0.00 -0.34 0.00 0.00 43.02 38.70 2k1w s PHE 19 CO 0.12 -1.08 0.05 0.16 -1.46 0.00 0.00 175.22 173.00 2k1w s ASP 20 N 3.50 5.00 0.12 6.13 1.47 -1.25 -1.94 116.67 129.71 2k1w s ASP 20 Ca 0.06 -1.02 -0.25 0.00 1.18 0.00 0.00 52.55 52.52 2k1w s ASP 20 Cb -0.27 -1.80 0.07 0.00 -0.34 0.00 0.00 42.92 40.58 2k1w s ASP 20 CO 0.03 -0.24 0.85 0.00 0.68 0.00 0.00 175.17 176.49 2k1w s ALA 21 N 1.38 -1.64 0.65 2.11 0.00 -1.06 -4.98 121.76 118.22 2k1w s ALA 21 Ca -0.01 0.39 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 2k1w s ALA 21 Cb -0.18 0.64 0.09 0.00 0.00 0.00 0.00 23.12 23.67 2k1w s ALA 21 CO 0.01 -0.90 0.63 2.41 0.00 0.00 0.00 175.76 177.91 2k1w n THR 22 N -0.39 0.00 -2.06 0.00 -1.04 -1.26 -3.03 114.28 106.50 2k1w n THR 22 Ca -0.08 -0.91 -0.27 0.00 -2.04 0.00 0.00 64.05 60.75 2k1w n THR 22 Cb 0.61 -1.16 -0.05 0.00 -1.82 0.00 0.00 70.33 67.91 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 -3.52 5.14 0.00 8.00 0.15 -1.26 -3.83 113.70 118.38 2k1w s SER 23 Ca 0.41 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2k1w s SER 23 Cb -0.02 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2k1w s SER 23 CO 0.27 -2.80 0.00 -0.67 1.20 0.00 0.00 173.24 171.25 2k1w n ASP 24 N 13.98 0.00 -4.88 5.45 2.03 -1.26 -5.14 116.55 126.73 2k1w n ASP 24 Ca 0.41 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.42 2k1w n ASP 24 Cb 0.47 0.05 0.03 0.00 -0.72 0.00 0.00 41.12 40.95 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 -1.10 3.16 -1.60 -0.67 1.11 -1.25 -4.94 119.66 114.36 2k1w s GLN 25 Ca 0.00 0.58 -0.10 0.00 0.01 0.00 0.00 55.36 55.85 2k1w s GLN 25 Cb 0.00 -2.05 -0.07 0.00 -1.01 0.00 0.00 33.01 29.88 2k1w s GLN 25 CO 0.00 -0.85 2.88 -0.35 0.01 0.00 0.00 175.29 176.98 2k1w n PRO 26 N -2.90 3.65 0.00 2.91 -0.04 -1.26 -4.92 135.00 132.43 2k1w n PRO 26 Ca 0.07 -2.28 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 2k1w n PRO 26 Cb 0.56 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 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 3.58 1.21 2.73 0.55 0.00 -1.26 -3.87 105.19 108.13 2k1w n GLY 27 Ca 0.76 0.56 -0.19 0.00 0.00 0.00 0.00 46.02 47.15 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 -0.29 -0.37 4.61 0.00 -1.26 -4.95 121.76 118.49 2k1w s ALA 28 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 51.96 51.31 2k1w s ALA 28 Cb 0.00 -1.77 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 2k1w s ALA 28 CO 0.00 -1.75 0.30 0.20 0.00 0.00 0.00 175.76 174.51 2k1w s GLY 29 N 2.22 1.96 -0.27 0.00 0.00 -1.25 -4.42 107.32 105.56 2k1w s GLY 29 Ca 0.10 -1.47 -0.24 0.00 0.00 0.00 0.00 44.72 43.12 2k1w s GLY 29 CO -0.30 0.89 0.79 0.51 0.00 0.00 0.00 173.10 175.00 2k1w s ASP 30 N 1.72 -0.70 -0.65 1.64 -4.77 -1.26 -5.07 116.67 107.58 2k1w s ASP 30 Ca 0.07 1.31 -0.22 0.00 -3.30 0.00 0.00 52.55 50.41 2k1w s ASP 30 Cb -0.18 1.32 0.08 0.00 -1.09 0.00 0.00 42.92 43.05 2k1w s ASP 30 CO 0.11 -0.22 0.91 0.21 0.70 0.00 0.00 175.17 176.88 2k1w s ASN 31 N 0.53 6.18 0.16 2.11 2.47 -1.26 -4.38 114.94 120.75 2k1w s ASN 31 Ca -0.01 -1.09 -0.03 0.00 0.42 0.00 0.00 52.86 52.15 2k1w s ASN 31 Cb -0.05 -2.40 0.01 0.00 -1.45 0.00 0.00 41.25 37.37 2k1w s ASN 31 CO -0.04 -1.38 0.26 0.18 -3.72 0.00 0.00 177.10 172.41 2k1w n LEU 32 N 7.43 0.00 -4.83 3.21 4.77 -1.09 -5.02 117.00 121.47 2k1w n LEU 32 Ca -0.05 -1.18 -0.36 0.00 -0.03 0.00 0.00 56.01 54.40 2k1w n LEU 32 Cb 0.45 1.31 -0.06 0.00 -2.33 0.00 0.00 43.42 42.78 2k1w n LEU 32 CO 0.63 -0.31 0.35 0.54 -1.33 0.00 0.00 177.39 177.26 2k1w s ASN 33 N -1.91 6.95 -1.09 -1.43 2.20 -1.26 0.21 114.94 118.60 2k1w s ASN 33 Ca 0.10 1.28 -0.19 0.00 -0.94 0.00 0.00 52.86 53.11 2k1w s ASN 33 Cb -0.01 -2.37 -0.06 0.00 -2.00 0.00 0.00 41.25 36.81 2k1w s ASN 33 CO 0.07 0.05 2.02 0.47 -2.94 0.00 0.00 177.10 176.78 2k1w n ASP 34 N 0.70 3.23 -4.68 3.54 8.00 -1.26 -4.11 116.55 121.97 2k1w n ASP 34 Ca -0.03 -2.76 -0.24 0.00 0.71 0.00 0.00 54.79 52.47 2k1w n ASP 34 Cb 0.51 -1.41 0.11 0.00 -0.02 0.00 0.00 41.12 40.31 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 4.40 1.70 -0.27 -1.24 3.01 -1.26 -4.49 119.74 121.60 2k1w s LYS 35 Ca 0.54 -1.03 -0.36 0.00 -1.01 0.00 0.00 55.97 54.11 2k1w s LYS 35 Cb 0.12 -2.31 -0.13 0.00 -1.01 0.00 0.00 37.83 34.50 2k1w s LYS 35 CO 0.04 -1.44 1.98 1.51 0.51 0.00 0.00 175.35 177.96 2k1w n ILE 36 N -2.85 0.32 -4.15 2.17 3.06 -1.26 -4.82 119.36 111.83 2k1w n ILE 36 Ca 0.14 -0.16 -0.22 0.00 -2.50 0.00 0.00 62.75 60.01 2k1w n ILE 36 Cb 0.60 -1.58 -0.05 0.00 0.54 0.00 0.00 39.64 39.16 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 5.40 5.28 -0.26 9.51 0.15 -1.26 -0.13 113.70 132.40 2k1w s SER 37 Ca 1.02 -0.35 0.02 0.00 0.70 0.00 0.00 55.95 57.34 2k1w s SER 37 Cb -0.88 -1.26 0.07 0.00 -1.71 0.00 0.00 66.02 62.24 2k1w s SER 37 CO 0.55 -0.04 -0.06 -0.55 1.20 0.00 0.00 173.24 174.34 2k1w s SER 38 N -3.81 4.19 -0.35 5.45 0.15 -1.16 -4.00 113.70 114.16 2k1w s SER 38 Ca 0.33 -1.39 -0.01 0.00 0.70 0.00 0.00 55.95 55.58 2k1w s SER 38 Cb -0.07 -1.36 0.08 0.00 -1.71 0.00 0.00 66.02 62.96 2k1w s SER 38 CO 0.24 -0.24 0.10 -0.63 1.20 0.00 0.00 173.24 173.90 2k1w s ILE 39 N 1.24 3.01 -0.35 6.45 1.09 -0.40 -0.11 121.20 132.14 2k1w s ILE 39 Ca -0.05 -1.83 0.03 0.00 -1.10 0.00 0.00 60.65 57.71 2k1w s ILE 39 Cb -0.19 -2.95 0.10 0.00 -1.06 0.00 0.00 42.46 38.36 2k1w s ILE 39 CO -0.07 -0.44 0.06 -0.75 -0.10 0.00 0.00 174.94 173.65 2k1w s LYS 40 N 1.15 1.52 -0.07 2.79 2.20 -1.21 -0.12 119.74 126.00 2k1w s LYS 40 Ca 0.03 -1.88 -0.15 0.00 -0.36 0.00 0.00 55.97 53.62 2k1w s LYS 40 Cb -0.21 -3.24 0.03 0.00 -1.51 0.00 0.00 37.83 32.90 2k1w s LYS 40 CO -0.04 -0.95 0.35 0.08 -0.36 0.00 0.00 175.35 174.44 2k1w s VAL 41 N 0.92 0.03 -0.45 4.02 1.01 -1.25 -4.03 120.40 120.66 2k1w s VAL 41 Ca 0.11 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2k1w s VAL 41 Cb -0.19 -0.60 0.14 0.00 0.00 0.00 0.00 36.38 35.73 2k1w s VAL 41 CO -0.08 -0.14 0.26 -0.54 0.00 0.00 0.00 175.10 174.60 2k1w s LYS 42 N -0.70 1.28 -0.29 2.72 3.01 -1.26 -2.46 119.74 122.03 2k1w s LYS 42 Ca -0.08 -2.04 -0.01 0.00 -1.01 0.00 0.00 55.97 52.83 2k1w s LYS 42 Cb -0.04 -2.27 0.19 0.00 -1.01 0.00 0.00 37.83 34.70 2k1w s LYS 42 CO 0.03 -1.18 0.78 -1.54 0.51 0.00 0.00 175.35 173.94 2k1w s SER 43 N 0.29 -1.14 0.76 2.83 1.04 -1.26 -4.87 113.70 111.34 2k1w s SER 43 Ca 0.19 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2k1w s SER 43 Cb -0.21 1.72 0.00 0.00 0.10 0.00 0.00 66.02 67.62 2k1w s SER 43 CO -0.02 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2k1w n GLY 44 N 5.27 2.22 3.33 7.32 0.00 -1.25 -4.46 105.19 117.62 2k1w n GLY 44 Ca 0.07 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 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 1.87 0.14 2.61 -4.23 -1.08 -3.48 115.64 111.47 2k1w s THR 45 Ca 0.00 -1.76 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 2k1w s THR 45 Cb 0.00 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 2k1w s THR 45 CO 0.00 -0.15 -0.09 0.26 -0.54 0.00 0.00 174.62 174.10 2k1w s TRP 46 N -1.54 1.19 -0.34 3.99 0.51 -0.87 -0.87 118.94 121.01 2k1w s TRP 46 Ca 0.12 -0.80 -0.01 0.00 -2.12 0.00 0.00 56.10 53.29 2k1w s TRP 46 Cb -0.08 -0.62 0.08 0.00 -0.81 0.00 0.00 33.47 32.04 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 -3.77 2.13 -0.09 4.98 3.00 -1.03 -1.84 118.95 122.33 2k1w s ARG 47 Ca 0.16 -1.56 -0.16 0.00 0.00 0.00 0.00 55.73 54.17 2k1w s ARG 47 Cb 0.03 -3.32 -0.05 0.00 0.00 0.00 0.00 34.95 31.61 2k1w s ARG 47 CO -0.00 -0.83 0.40 -0.06 0.00 0.00 0.00 175.30 174.80 2k1w s PHE 48 N 1.16 3.58 -0.29 -0.53 0.08 0.12 -3.25 117.98 118.84 2k1w s PHE 48 Ca 0.02 0.85 -0.13 0.00 0.12 0.00 0.00 56.93 57.79 2k1w s PHE 48 Cb -0.21 -2.39 0.11 0.00 -0.57 0.00 0.00 43.02 39.96 2k1w s PHE 48 CO -0.03 0.37 0.67 1.52 -0.10 0.00 0.00 175.22 177.65 2k1w s TYR 49 N -0.08 -1.23 -1.17 0.36 -0.85 -1.11 -0.09 117.35 113.18 2k1w s TYR 49 Ca 0.22 2.24 -0.09 0.00 -0.52 0.00 0.00 57.07 58.92 2k1w s TYR 49 Cb -0.15 0.73 0.23 0.00 0.38 0.00 0.00 41.96 43.15 2k1w s TYR 49 CO 0.10 -0.61 1.46 0.39 -1.52 0.00 0.00 175.55 175.37 2k1w n GLU 50 N 4.98 3.72 -3.11 -3.49 4.71 -1.25 -2.02 120.64 124.17 2k1w n GLU 50 Ca -0.15 -4.10 0.00 0.00 -0.01 0.00 0.00 57.16 52.90 2k1w n GLU 50 Cb 0.53 -2.77 0.00 0.00 -1.01 0.00 0.00 31.44 28.20 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 3.49 0.00 -1.50 -0.32 4.01 -0.73 -4.61 117.16 117.50 2k1w n TYR 51 Ca 0.32 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.70 2k1w n TYR 51 Cb 0.38 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.50 2k1w n TYR 51 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2k1w s ILE 52 N -2.39 2.05 0.63 -0.72 1.10 -1.25 -4.52 121.20 116.10 2k1w s ILE 52 Ca 0.00 0.03 0.35 0.00 -0.51 0.00 0.00 60.65 60.52 2k1w s ILE 52 Cb 0.00 -2.78 0.38 0.00 0.15 0.00 0.00 42.46 40.21 2k1w s ILE 52 CO 0.00 -0.01 2.20 0.78 -2.11 0.00 0.00 174.94 175.80 2k1w h ASN 53 N -0.02 0.00 -2.89 4.50 2.35 -1.97 -3.21 115.58 114.35 2k1w h ASN 53 Ca -0.49 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 0.50 0.00 -0.65 0.00 -1.65 0.00 0.00 177.43 175.64 2k1w n TYR 54 N -3.42 2.56 0.00 1.19 4.11 -1.26 -4.87 117.16 115.47 2k1w n TYR 54 Ca -0.02 -4.13 0.00 0.00 -0.00 0.00 0.00 57.90 53.75 2k1w n TYR 54 Cb 0.19 -0.47 0.00 0.00 -0.00 0.00 0.00 39.34 39.06 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 2.01 0.70 3.65 -7.48 0.00 -1.21 -5.18 105.19 97.68 2k1w n GLY 55 Ca 0.22 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 0.99 3.57 -0.02 0.00 -1.25 -3.91 105.19 104.57 2k1w n GLY 56 Ca 0.00 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 2k1w n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k1w s ARG 57 N -2.08 3.38 -0.03 1.61 1.04 -1.26 -4.99 118.95 116.61 2k1w s ARG 57 Ca 0.16 0.13 -0.29 0.00 -1.04 0.00 0.00 55.73 54.69 2k1w s ARG 57 Cb -0.05 -4.08 -0.03 0.00 -2.04 0.00 0.00 34.95 28.75 2k1w s ARG 57 CO 0.11 -1.87 0.94 -0.47 -0.04 0.00 0.00 175.30 173.98 2k1w s TYR 58 N 5.37 3.62 -0.28 5.89 5.04 -1.26 -3.93 117.35 131.80 2k1w s TYR 58 Ca 0.42 1.60 0.02 0.00 -2.44 0.00 0.00 57.07 56.67 2k1w s TYR 58 Cb -0.08 -3.08 0.17 0.00 0.35 0.00 0.00 41.96 39.32 2k1w s TYR 58 CO 0.22 -0.04 0.47 -0.46 -1.34 0.00 0.00 175.55 174.40 2k1w s TRP 59 N 1.18 -1.26 0.23 4.97 -0.00 0.87 -5.00 118.94 119.92 2k1w s TRP 59 Ca 0.49 0.71 0.05 0.00 -0.00 0.00 0.00 56.10 57.35 2k1w s TRP 59 Cb -0.20 0.05 -0.03 0.00 -0.00 0.00 0.00 33.47 33.29 2k1w s TRP 59 CO 0.24 -0.97 0.30 0.16 -0.00 0.00 0.00 176.95 176.69 2k1w s ASP 60 N 2.65 6.11 0.16 5.86 -4.77 -1.26 0.14 116.67 125.55 2k1w s ASP 60 Ca 0.11 0.00 -0.23 0.00 -3.30 0.00 0.00 52.55 49.13 2k1w s ASP 60 Cb -0.12 -1.74 0.07 0.00 -1.09 0.00 0.00 42.92 40.03 2k1w s ASP 60 CO -0.26 -0.04 0.61 -1.48 0.70 0.00 0.00 175.17 174.69 2k1w s LEU 61 N -3.81 -0.56 0.00 2.11 0.05 -0.77 -4.93 118.68 110.77 2k1w s LEU 61 Ca 0.34 -0.00 0.00 0.00 0.05 0.00 0.00 54.13 54.52 2k1w s LEU 61 Cb -0.09 2.58 0.00 0.00 -2.05 0.00 0.00 46.19 46.63 2k1w s LEU 61 CO 0.28 -0.96 0.00 0.61 -0.55 0.00 0.00 176.35 175.73 2k1w n GLY 62 N -0.38 0.92 3.56 -3.48 0.00 -1.26 -2.04 105.19 102.51 2k1w n GLY 62 Ca -0.17 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 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 1.35 2.38 0.03 1.61 0.04 -1.23 -4.89 135.00 134.30 2k1w s PRO 63 Ca 0.00 1.21 -0.28 0.00 0.04 0.00 0.00 61.00 61.98 2k1w s PRO 63 Cb 0.00 -4.49 0.09 0.00 0.04 0.00 0.00 34.50 30.14 2k1w s PRO 63 CO 0.00 -2.98 0.86 0.20 0.04 0.00 0.00 177.00 175.13 2k1w s GLY 64 N 10.44 -0.45 -0.40 0.56 0.00 -1.03 -4.93 107.32 111.51 2k1w s GLY 64 Ca 0.88 0.85 -0.17 0.00 0.00 0.00 0.00 44.72 46.27 2k1w s GLY 64 CO 0.25 0.28 0.45 1.85 0.00 0.00 0.00 173.10 175.92 2k1w s GLU 65 N -3.21 3.22 -0.06 2.90 2.12 -1.26 -3.80 118.70 118.62 2k1w s GLU 65 Ca 0.05 -0.64 -0.12 0.00 0.36 0.00 0.00 54.97 54.62 2k1w s GLU 65 Cb -0.01 -3.93 -0.05 0.00 0.26 0.00 0.00 34.13 30.40 2k1w s GLU 65 CO -0.08 -0.80 0.32 -0.47 -0.54 0.00 0.00 175.26 173.69 2k1w s TYR 66 N 2.18 3.66 -0.46 5.30 5.04 0.82 -4.94 117.35 128.95 2k1w s TYR 66 Ca 0.13 0.81 0.06 0.00 -2.44 0.00 0.00 57.07 55.63 2k1w s TYR 66 Cb -0.17 -2.20 0.32 0.00 0.35 0.00 0.00 41.96 40.27 2k1w s TYR 66 CO 0.14 0.61 1.13 -1.13 -1.34 0.00 0.00 175.55 174.96 2k1w n SER 67 N 2.12 -2.31 -4.51 4.32 3.41 -1.26 -1.27 113.62 114.12 2k1w n SER 67 Ca -0.15 -3.65 -0.27 0.00 -0.26 0.00 0.00 58.87 54.54 2k1w n SER 67 Cb 0.53 1.91 0.13 0.00 -0.26 0.00 0.00 64.21 66.53 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 -1.24 3.93 0.00 4.04 0.01 -1.26 -4.95 113.70 114.24 2k1w s SER 68 Ca 0.22 0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.60 2k1w s SER 68 Cb 0.29 -0.42 0.01 0.00 0.21 0.00 0.00 66.02 66.11 2k1w s SER 68 CO -0.05 -2.17 0.74 0.55 0.41 0.00 0.00 173.24 172.71 2k1w n VAL 69 N -3.26 0.00 0.00 3.43 3.14 -1.26 -3.98 118.33 116.39 2k1w n VAL 69 Ca 0.13 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 2k1w n VAL 69 Cb 0.60 0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.63 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 0.00 -0.47 1.45 0.28 -1.26 -4.91 120.64 115.74 2k1w n GLU 70 Ca -0.11 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 56.92 2k1w n GLU 70 Cb 0.60 0.00 0.22 0.00 1.43 0.00 0.00 31.44 33.69 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 3.48 -0.54 -1.84 2.88 -1.26 -3.67 113.62 112.68 2k1w n SER 71 Ca 0.00 -2.48 0.01 0.00 -1.33 0.00 0.00 58.87 55.07 2k1w n SER 71 Cb 0.00 -0.59 0.02 0.00 -0.75 0.00 0.00 64.21 62.89 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 2.06 -1.28 -1.46 0.00 -1.26 -5.07 120.51 113.84 2k1w n ALA 72 Ca 0.15 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.32 2k1w n ALA 72 Cb 0.74 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.10 -4.21 2.34 0.00 0.00 -1.24 -4.93 105.19 97.05 2k1w n GLY 73 Ca 0.02 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.23 0.48 -0.06 -0.61 2.08 -1.26 -4.88 119.36 113.88 2k1w n ILE 74 Ca 0.00 -4.65 -0.04 0.00 0.56 0.00 0.00 62.75 58.63 2k1w n ILE 74 Cb 0.08 -1.16 -0.01 0.00 -0.75 0.00 0.00 39.64 37.80 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 3.43 0.00 -0.68 0.38 0.11 -1.92 -3.45 132.00 129.87 2k1w h PRO 75 Ca 0.11 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.45 2k1w h PRO 75 Cb 0.83 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.63 2k1w h PRO 75 CO 0.58 0.00 0.70 0.34 -0.21 0.00 0.00 178.00 179.41 2k1w s ASP 76 N -5.42 -0.03 -1.27 -2.05 2.15 -1.26 -4.64 116.67 104.15 2k1w s ASP 76 Ca -0.11 0.05 -0.09 0.00 0.43 0.00 0.00 52.55 52.83 2k1w s ASP 76 Cb 0.02 1.02 -0.11 0.00 -0.30 0.00 0.00 42.92 43.55 2k1w s ASP 76 CO 0.17 -0.01 2.94 -3.20 -0.17 0.00 0.00 175.17 174.90 2k1w n ASN 77 N 3.57 7.65 -4.63 -0.34 5.15 0.13 -4.52 115.26 122.28 2k1w n ASN 77 Ca -0.13 -2.51 -0.32 0.00 -0.60 0.00 0.00 54.58 51.02 2k1w n ASN 77 Cb 0.56 -1.46 -0.09 0.00 -0.53 0.00 0.00 39.78 38.25 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 2.31 4.79 -1.59 1.20 0.15 -1.25 -2.67 113.70 116.65 2k1w s SER 78 Ca 0.65 -0.14 -0.14 0.00 0.70 0.00 0.00 55.95 57.01 2k1w s SER 78 Cb 0.19 -1.14 0.11 0.00 -1.71 0.00 0.00 66.02 63.47 2k1w s SER 78 CO -0.05 0.25 0.83 -0.38 1.20 0.00 0.00 173.24 175.09 2k1w n ILE 79 N 1.24 -1.76 -2.91 6.45 5.41 -1.26 -3.61 119.36 122.92 2k1w n ILE 79 Ca -0.14 -0.07 -0.36 0.00 1.00 0.00 0.00 62.75 63.17 2k1w n ILE 79 Cb 0.52 -2.32 -0.06 0.00 -0.71 0.00 0.00 39.64 37.07 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 -3.44 7.21 -0.22 4.38 0.01 -1.26 -1.77 113.70 118.60 2k1w s SER 80 Ca 0.61 1.66 -0.26 0.00 1.31 0.00 0.00 55.95 59.27 2k1w s SER 80 Cb -0.32 -2.51 0.07 0.00 0.21 0.00 0.00 66.02 63.47 2k1w s SER 80 CO 0.88 -0.04 0.71 -0.55 0.41 0.00 0.00 173.24 174.65 2k1w s SER 81 N -1.66 -0.73 -0.13 2.44 0.15 -0.86 -4.22 113.70 108.69 2k1w s SER 81 Ca 0.48 1.27 -0.06 0.00 0.70 0.00 0.00 55.95 58.34 2k1w s SER 81 Cb -0.17 1.25 0.05 0.00 -1.71 0.00 0.00 66.02 65.44 2k1w s SER 81 CO 0.22 -0.33 0.29 0.72 1.20 0.00 0.00 173.24 175.34 2k1w s PHE 82 N 0.01 -0.43 -0.25 3.44 -0.71 -1.26 -2.74 117.98 116.03 2k1w s PHE 82 Ca -0.03 0.96 -0.09 0.00 -1.04 0.00 0.00 56.93 56.74 2k1w s PHE 82 Cb -0.04 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 2k1w s PHE 82 CO 0.03 -0.29 0.12 1.03 -1.34 0.00 0.00 175.22 174.77 2k1w s ARG 83 N 1.55 3.81 -0.26 1.99 1.81 -1.20 -4.15 118.95 122.49 2k1w s ARG 83 Ca -0.07 -0.40 -0.20 0.00 -1.72 0.00 0.00 55.73 53.34 2k1w s ARG 83 Cb -0.10 -3.45 -0.02 0.00 -0.45 0.00 0.00 34.95 30.93 2k1w s ARG 83 CO -0.10 -0.14 0.62 -0.65 -0.68 0.00 0.00 175.30 174.36 2k1w s GLN 84 N 1.55 4.07 0.00 3.54 1.11 -1.26 -2.47 119.66 126.19 2k1w s GLN 84 Ca 0.06 0.49 0.26 0.00 0.01 0.00 0.00 55.36 56.18 2k1w s GLN 84 Cb -0.15 -3.67 0.60 0.00 -1.01 0.00 0.00 33.01 28.79 2k1w s GLN 84 CO 0.06 -0.44 1.49 -0.89 0.01 0.00 0.00 175.29 175.52