#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 0.38 -0.39 6.12 4.22 -1.26 -5.09 114.94 118.92 2k1w s ASN 2 Ca 0.00 -0.30 0.05 0.00 -2.14 0.00 0.00 52.86 50.48 2k1w s ASN 2 Cb 0.00 1.10 0.17 0.00 1.28 0.00 0.00 41.25 43.80 2k1w s ASN 2 CO 0.00 -0.35 0.49 0.00 -2.04 0.00 0.00 177.10 175.20 2k1w s ALA 3 N 2.54 -1.19 -0.32 3.54 0.00 -1.26 -4.99 121.76 120.08 2k1w s ALA 3 Ca 0.10 -0.55 0.16 0.00 0.00 0.00 0.00 51.96 51.68 2k1w s ALA 3 Cb -0.13 -2.33 0.44 0.00 0.00 0.00 0.00 23.12 21.10 2k1w s ALA 3 CO -0.28 -2.18 1.36 0.00 0.00 0.00 0.00 175.76 174.66 2k1w n ALA 4 N 4.22 2.68 -3.72 0.00 0.00 -1.26 -4.99 120.51 117.45 2k1w n ALA 4 Ca 0.12 -1.69 -0.30 0.00 0.00 0.00 0.00 53.44 51.57 2k1w n ALA 4 Cb 0.50 -0.86 -0.15 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.28 0.67 -0.45 0.00 0.41 -1.26 -4.66 118.70 112.13 2k1w s GLU 5 Ca 0.17 -1.03 -0.07 0.00 -0.41 0.00 0.00 54.97 53.62 2k1w s GLU 5 Cb 0.41 -1.92 0.12 0.00 -1.78 0.00 0.00 34.13 30.95 2k1w s GLU 5 CO -0.09 -0.99 0.30 0.08 -0.49 0.00 0.00 175.26 174.07 2k1w s VAL 6 N 1.65 3.88 -0.10 2.63 1.01 -1.16 -4.49 120.40 123.82 2k1w s VAL 6 Ca 0.10 -1.91 -0.00 0.00 0.00 0.00 0.00 61.98 60.17 2k1w s VAL 6 Cb -0.17 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2k1w s VAL 6 CO -0.26 -0.75 -0.09 -0.51 0.00 0.00 0.00 175.10 173.48 2k1w s ILE 7 N 1.25 3.42 0.06 2.22 2.07 -1.26 -2.21 121.20 126.75 2k1w s ILE 7 Ca 0.07 -0.55 -0.11 0.00 -1.41 0.00 0.00 60.65 58.65 2k1w s ILE 7 Cb -0.25 -2.43 0.01 0.00 0.13 0.00 0.00 42.46 39.92 2k1w s ILE 7 CO -0.02 0.55 0.23 0.68 -1.91 0.00 0.00 174.94 174.47 2k1w s VAL 8 N -0.16 0.11 -0.01 4.00 -7.23 -0.59 -3.35 120.40 113.17 2k1w s VAL 8 Ca 0.01 -0.90 0.08 0.00 -1.81 0.00 0.00 61.98 59.36 2k1w s VAL 8 Cb -0.13 -1.05 -0.02 0.00 0.56 0.00 0.00 36.38 35.74 2k1w s VAL 8 CO 0.03 -0.50 -0.26 -0.31 -0.31 0.00 0.00 175.10 173.76 2k1w s TYR 9 N -2.98 2.35 -0.35 2.82 2.02 0.01 -1.68 117.35 119.54 2k1w s TYR 9 Ca -0.02 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.29 2k1w s TYR 9 Cb 0.01 -1.50 0.52 0.00 -0.40 0.00 0.00 41.96 40.59 2k1w s TYR 9 CO -0.06 -0.01 1.67 0.39 -1.57 0.00 0.00 175.55 175.97 2k1w n GLU 10 N 2.37 2.16 -1.75 -0.62 1.02 -1.25 -3.36 120.64 119.21 2k1w n GLU 10 Ca -0.16 -2.30 0.00 0.00 -0.02 0.00 0.00 57.16 54.68 2k1w n GLU 10 Cb 0.51 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2k1w n GLU 10 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2k1w n HIS 11 N -0.62 -0.21 -1.87 -0.32 -0.00 -1.25 -4.87 115.22 106.07 2k1w n HIS 11 Ca 0.43 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 58.24 2k1w n HIS 11 Cb 1.35 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 31.27 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 -2.21 2.31 0.13 3.57 0.11 -0.97 -3.30 120.40 120.04 2k1w s VAL 12 Ca 0.00 0.20 -0.27 0.00 -2.93 0.00 0.00 61.98 58.98 2k1w s VAL 12 Cb 0.00 -3.08 -0.05 0.00 -1.53 0.00 0.00 36.38 31.72 2k1w s VAL 12 CO 0.00 -0.03 1.61 -1.13 -3.33 0.00 0.00 175.10 172.21 2k1w h ASN 13 N 0.87 -1.03 -0.38 3.54 -1.24 -1.93 0.27 115.58 115.68 2k1w h ASN 13 Ca -0.51 0.14 -0.25 0.00 0.71 0.00 0.00 56.30 56.39 2k1w h ASN 13 Cb 1.31 0.42 -0.11 0.00 0.73 0.00 0.00 38.32 40.67 2k1w h ASN 13 CO 0.55 -0.39 0.31 2.22 -1.29 0.00 0.00 177.43 178.83 2k1w n PHE 14 N -5.42 1.17 0.00 0.67 -1.74 -1.26 -3.83 117.46 107.05 2k1w n PHE 14 Ca -0.04 -1.74 0.00 0.00 -0.56 0.00 0.00 57.45 55.10 2k1w n PHE 14 Cb 0.33 -0.88 0.00 0.00 1.52 0.00 0.00 39.48 40.45 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 0.67 0.00 3.24 4.97 0.00 -0.48 -5.17 105.19 108.43 2k1w n GLY 15 Ca 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 0.88 0.13 -0.02 0.00 0.84 -3.94 107.32 105.20 2k1w s GLY 16 Ca 0.00 -1.29 -0.17 0.00 0.00 0.00 0.00 44.72 43.26 2k1w s GLY 16 CO 0.00 -1.16 0.57 -1.59 0.00 0.00 0.00 173.10 170.92 2k1w s LYS 17 N -4.04 4.08 -0.26 2.90 0.00 -1.26 -4.97 119.74 116.20 2k1w s LYS 17 Ca 0.24 0.62 -0.17 0.00 0.00 0.00 0.00 55.97 56.66 2k1w s LYS 17 Cb 0.06 -3.04 -0.03 0.00 0.00 0.00 0.00 37.83 34.81 2k1w s LYS 17 CO 0.03 0.53 0.47 -1.54 0.00 0.00 0.00 175.35 174.84 2k1w s SER 18 N -1.48 6.39 -0.37 0.03 1.04 -1.26 -3.75 113.70 114.29 2k1w s SER 18 Ca 0.35 0.47 0.02 0.00 0.48 0.00 0.00 55.95 57.26 2k1w s SER 18 Cb -0.17 -2.26 0.10 0.00 0.10 0.00 0.00 66.02 63.80 2k1w s SER 18 CO 0.19 -0.24 0.11 0.12 0.98 0.00 0.00 173.24 174.40 2k1w s PHE 19 N 2.15 3.69 -0.21 5.02 5.36 -0.68 -5.01 117.98 128.30 2k1w s PHE 19 Ca 0.19 -2.82 -0.03 0.00 -0.96 0.00 0.00 56.93 53.32 2k1w s PHE 19 Cb -0.16 -3.03 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 2k1w s PHE 19 CO 0.09 -0.95 -0.08 0.16 -1.46 0.00 0.00 175.22 172.98 2k1w s ASP 20 N 1.16 4.02 0.12 6.13 -4.77 -1.26 -1.54 116.67 120.52 2k1w s ASP 20 Ca 0.10 -0.48 -0.25 0.00 -3.30 0.00 0.00 52.55 48.62 2k1w s ASP 20 Cb -0.20 -1.67 0.07 0.00 -1.09 0.00 0.00 42.92 40.02 2k1w s ASP 20 CO -0.07 -0.02 0.85 0.00 0.70 0.00 0.00 175.17 176.64 2k1w s ALA 21 N 1.43 -1.65 0.32 2.11 0.00 -0.94 -5.00 121.76 118.03 2k1w s ALA 21 Ca 0.05 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.44 2k1w s ALA 21 Cb -0.14 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.63 2k1w s ALA 21 CO -0.06 -0.88 0.17 0.25 0.00 0.00 0.00 175.76 175.24 2k1w n THR 22 N -0.38 0.00 -2.07 0.00 -2.24 -1.26 -2.97 114.28 105.35 2k1w n THR 22 Ca -0.08 -0.32 -0.28 0.00 -2.27 0.00 0.00 64.05 61.10 2k1w n THR 22 Cb 0.61 -1.15 -0.06 0.00 -2.10 0.00 0.00 70.33 67.64 2k1w n THR 22 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k1w s SER 23 N -1.73 5.12 0.00 3.42 0.01 -1.26 -3.65 113.70 115.60 2k1w s SER 23 Ca 0.12 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.10 2k1w s SER 23 Cb -0.01 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2k1w s SER 23 CO 0.08 -2.90 0.00 -0.67 0.41 0.00 0.00 173.24 170.16 2k1w n ASP 24 N 14.07 0.00 -4.88 2.44 -0.08 -1.26 -5.14 116.55 121.71 2k1w n ASP 24 Ca 0.43 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.40 2k1w n ASP 24 Cb 0.47 0.03 0.03 0.00 2.34 0.00 0.00 41.12 43.99 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 -1.06 3.17 -1.53 -0.67 1.11 -1.24 -4.95 119.66 114.49 2k1w s GLN 25 Ca 0.00 0.59 -0.12 0.00 0.01 0.00 0.00 55.36 55.84 2k1w s GLN 25 Cb 0.00 -2.04 -0.01 0.00 -1.01 0.00 0.00 33.01 29.94 2k1w s GLN 25 CO 0.00 -0.84 2.54 -0.35 0.01 0.00 0.00 175.29 176.65 2k1w n PRO 26 N -2.90 3.27 0.00 2.91 -0.04 -1.26 -4.90 135.00 132.08 2k1w n PRO 26 Ca 0.07 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 2k1w n PRO 26 Cb 0.56 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 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 3.80 0.53 3.41 0.55 0.00 -1.24 -4.64 105.19 107.60 2k1w n GLY 27 Ca 0.64 0.67 -0.11 0.00 0.00 0.00 0.00 46.02 47.22 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 -0.24 4.61 0.00 -1.26 -4.94 121.76 119.44 2k1w s ALA 28 Ca 0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 51.96 50.60 2k1w s ALA 28 Cb 0.00 1.22 0.10 0.00 0.00 0.00 0.00 23.12 24.44 2k1w s ALA 28 CO 0.00 -0.73 0.19 0.20 0.00 0.00 0.00 175.76 175.42 2k1w s GLY 29 N -3.11 0.17 0.15 0.00 0.00 -1.26 -4.73 107.32 98.53 2k1w s GLY 29 Ca 0.31 -0.35 -0.12 0.00 0.00 0.00 0.00 44.72 44.56 2k1w s GLY 29 CO 0.12 2.17 0.34 0.51 0.00 0.00 0.00 173.10 176.25 2k1w s ASP 30 N 2.24 -0.06 -0.29 1.64 -4.77 -1.26 -5.12 116.67 109.04 2k1w s ASP 30 Ca 0.07 -0.65 -0.00 0.00 -3.30 0.00 0.00 52.55 48.67 2k1w s ASP 30 Cb -0.15 0.46 0.14 0.00 -1.09 0.00 0.00 42.92 42.27 2k1w s ASP 30 CO -0.23 -0.90 0.30 0.20 0.70 0.00 0.00 175.17 175.24 2k1w s ASN 31 N -2.90 1.66 0.00 2.11 -0.87 -1.25 -4.42 114.94 109.27 2k1w s ASN 31 Ca 0.11 -0.80 0.00 0.00 -1.57 0.00 0.00 52.86 50.60 2k1w s ASN 31 Cb 0.02 0.51 0.00 0.00 -0.02 0.00 0.00 41.25 41.76 2k1w s ASN 31 CO -0.05 -0.38 0.00 0.18 -2.57 0.00 0.00 177.10 174.28 2k1w n LEU 32 N 5.26 0.00 -1.90 0.60 4.32 -1.24 -4.96 117.00 119.08 2k1w n LEU 32 Ca -0.01 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.79 2k1w n LEU 32 Cb 0.46 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.34 2k1w n LEU 32 CO 0.01 0.00 1.15 0.59 -1.22 0.00 0.00 177.39 177.92 2k1w n ASN 33 N -1.45 5.23 -3.59 -1.43 3.02 -1.26 0.28 115.26 116.06 2k1w n ASN 33 Ca 0.00 -3.15 -0.27 0.00 -0.03 0.00 0.00 54.58 51.13 2k1w n ASN 33 Cb 0.00 -0.88 0.04 0.00 -0.61 0.00 0.00 39.78 38.33 2k1w n ASN 33 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2k1w n ASP 34 N -0.27 -5.65 -3.73 6.41 8.00 -1.26 -4.19 116.55 115.86 2k1w n ASP 34 Ca 0.39 -0.91 -0.22 0.00 0.71 0.00 0.00 54.79 54.76 2k1w n ASP 34 Cb 0.91 -3.61 0.14 0.00 -0.02 0.00 0.00 41.12 38.53 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 -3.79 -0.63 -1.61 -1.24 4.01 -1.26 -4.50 118.16 109.14 2k1w n LYS 35 Ca -0.10 -1.87 -0.47 0.00 -0.51 0.00 0.00 58.31 55.37 2k1w n LYS 35 Cb 0.59 -0.88 -0.03 0.00 -0.51 0.00 0.00 35.03 34.20 2k1w n LYS 35 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 2k1w n ILE 36 N -3.13 1.23 -4.20 -0.18 3.06 -1.26 -4.88 119.36 110.00 2k1w n ILE 36 Ca 0.13 -0.31 -0.12 0.00 -2.50 0.00 0.00 62.75 59.96 2k1w n ILE 36 Cb 0.47 -1.05 -0.10 0.00 0.54 0.00 0.00 39.64 39.50 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 -0.09 1.35 -0.14 9.51 0.15 -1.26 -2.28 113.70 120.95 2k1w s SER 37 Ca 0.68 -1.01 -0.00 0.00 0.70 0.00 0.00 55.95 56.31 2k1w s SER 37 Cb -0.76 0.06 0.03 0.00 -1.71 0.00 0.00 66.02 63.64 2k1w s SER 37 CO 0.54 -0.42 -0.07 -0.55 1.20 0.00 0.00 173.24 173.94 2k1w s SER 38 N -3.08 2.48 -0.24 5.45 0.15 -1.21 -4.06 113.70 113.18 2k1w s SER 38 Ca 0.13 -0.46 0.02 0.00 0.70 0.00 0.00 55.95 56.34 2k1w s SER 38 Cb 0.04 -0.88 0.05 0.00 -1.71 0.00 0.00 66.02 63.52 2k1w s SER 38 CO -0.03 -0.15 -0.12 -0.63 1.20 0.00 0.00 173.24 173.51 2k1w s ILE 39 N 1.67 2.18 -0.32 6.45 1.09 -0.91 -0.81 121.20 130.56 2k1w s ILE 39 Ca 0.03 -1.48 0.01 0.00 -1.10 0.00 0.00 60.65 58.11 2k1w s ILE 39 Cb -0.14 -2.21 0.10 0.00 -1.06 0.00 0.00 42.46 39.15 2k1w s ILE 39 CO -0.08 0.09 0.09 -0.75 -0.10 0.00 0.00 174.94 174.19 2k1w s LYS 40 N 1.15 0.95 0.00 2.79 2.20 -1.21 -1.65 119.74 123.97 2k1w s LYS 40 Ca -0.06 -1.34 -0.11 0.00 -0.36 0.00 0.00 55.97 54.10 2k1w s LYS 40 Cb -0.19 -2.34 0.01 0.00 -1.51 0.00 0.00 37.83 33.80 2k1w s LYS 40 CO -0.07 -0.98 0.23 0.08 -0.36 0.00 0.00 175.35 174.25 2k1w s VAL 41 N 1.36 0.08 -0.40 4.02 1.01 -1.25 -4.03 120.40 121.20 2k1w s VAL 41 Ca 0.10 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2k1w s VAL 41 Cb -0.18 -0.59 0.14 0.00 0.00 0.00 0.00 36.38 35.76 2k1w s VAL 41 CO -0.19 -0.34 0.25 -0.54 0.00 0.00 0.00 175.10 174.27 2k1w s LYS 42 N -1.54 0.86 -0.30 2.72 1.02 -1.26 -1.93 119.74 119.30 2k1w s LYS 42 Ca -0.13 -1.70 -0.01 0.00 0.02 0.00 0.00 55.97 54.14 2k1w s LYS 42 Cb -0.06 -1.66 0.19 0.00 -0.52 0.00 0.00 37.83 35.79 2k1w s LYS 42 CO 0.02 -1.23 0.80 -1.54 -0.92 0.00 0.00 175.35 172.48 2k1w s SER 43 N 0.63 -1.08 0.77 2.83 1.04 -1.26 -4.84 113.70 111.79 2k1w s SER 43 Ca 0.21 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2k1w s SER 43 Cb -0.18 1.64 0.00 0.00 0.10 0.00 0.00 66.02 67.58 2k1w s SER 43 CO -0.03 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2k1w n GLY 44 N 5.11 2.51 3.37 7.32 0.00 -1.25 -4.39 105.19 117.86 2k1w n GLY 44 Ca 0.07 -0.36 -0.28 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 2.15 0.14 2.61 -4.23 -1.14 -3.03 115.64 112.14 2k1w s THR 45 Ca 0.00 -1.71 0.04 0.00 -1.18 0.00 0.00 61.69 58.84 2k1w s THR 45 Cb 0.00 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 2k1w s THR 45 CO 0.00 0.07 -0.09 0.26 -0.54 0.00 0.00 174.62 174.31 2k1w s TRP 46 N -1.07 1.19 -0.15 3.99 0.51 -0.90 -0.08 118.94 122.43 2k1w s TRP 46 Ca 0.12 -0.79 0.00 0.00 -2.12 0.00 0.00 56.10 53.32 2k1w s TRP 46 Cb -0.10 -0.62 -0.01 0.00 -0.81 0.00 0.00 33.47 31.93 2k1w s TRP 46 CO 0.06 0.04 -0.15 1.03 -0.51 0.00 0.00 176.95 177.41 2k1w s ARG 47 N -3.77 3.26 -0.08 4.98 3.00 0.27 -1.80 118.95 124.83 2k1w s ARG 47 Ca 0.16 -0.73 0.03 0.00 0.00 0.00 0.00 55.73 55.19 2k1w s ARG 47 Cb 0.03 -2.62 -0.02 0.00 0.00 0.00 0.00 34.95 32.34 2k1w s ARG 47 CO -0.00 0.08 -0.17 -0.06 0.00 0.00 0.00 175.30 175.15 2k1w s PHE 48 N 0.66 2.66 -0.28 -0.53 0.08 0.11 -2.09 117.98 118.61 2k1w s PHE 48 Ca -0.08 -0.45 -0.16 0.00 0.12 0.00 0.00 56.93 56.36 2k1w s PHE 48 Cb -0.16 -1.69 0.08 0.00 -0.57 0.00 0.00 43.02 40.69 2k1w s PHE 48 CO 0.02 -0.04 0.70 1.52 -0.10 0.00 0.00 175.22 177.32 2k1w s TYR 49 N -0.26 -1.05 -1.20 0.36 -0.85 -1.02 -0.09 117.35 113.25 2k1w s TYR 49 Ca 0.01 2.10 -0.06 0.00 -0.52 0.00 0.00 57.07 58.60 2k1w s TYR 49 Cb -0.13 0.62 0.22 0.00 0.38 0.00 0.00 41.96 43.05 2k1w s TYR 49 CO 0.03 -0.52 1.88 0.39 -1.52 0.00 0.00 175.55 175.81 2k1w n GLU 50 N 4.25 4.37 -3.14 -3.49 1.02 -1.26 -1.13 120.64 121.27 2k1w n GLU 50 Ca -0.20 -3.98 0.00 0.00 -0.02 0.00 0.00 57.16 52.97 2k1w n GLU 50 Cb 0.59 -2.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 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 2.05 0.00 -0.51 -0.32 4.01 -0.63 -4.65 117.16 117.12 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 0.31 0.00 0.25 0.00 -0.31 0.00 0.00 39.34 39.59 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 0.98 0.00 0.05 -0.72 -5.35 -1.23 -4.33 119.36 108.76 2k1w n ILE 52 Ca 0.00 -0.44 -0.05 0.00 -0.27 0.00 0.00 62.75 61.99 2k1w n ILE 52 Cb 0.00 -0.91 0.15 0.00 -1.74 0.00 0.00 39.64 37.13 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 -2.61 0.41 -2.01 7.28 -0.73 -1.98 -3.28 115.58 112.66 2k1w h ASN 53 Ca -0.61 -0.19 -0.60 0.00 1.87 0.00 0.00 56.30 56.76 2k1w h ASN 53 Cb 1.34 -0.12 -0.41 0.00 0.27 0.00 0.00 38.32 39.41 2k1w h ASN 53 CO 0.47 0.81 -0.57 0.00 -0.37 0.00 0.00 177.43 177.78 2k1w n TYR 54 N -3.99 3.77 0.00 0.67 0.18 -1.26 -4.78 117.16 111.74 2k1w n TYR 54 Ca -0.02 -3.59 0.00 0.00 1.88 0.00 0.00 57.90 56.17 2k1w n TYR 54 Cb 0.53 -0.39 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 -0.33 -1.79 3.81 -7.48 0.00 -1.24 -5.19 105.19 92.98 2k1w n GLY 55 Ca 0.35 0.66 -0.08 0.00 0.00 0.00 0.00 46.02 46.94 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 -3.63 107.32 102.15 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 -0.08 1.27 -1.60 0.00 0.00 0.00 173.10 172.69 2k1w s ARG 57 N -2.25 3.36 -0.01 2.90 3.00 -1.26 -4.98 118.95 119.71 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 -4.09 -0.03 0.00 0.00 0.00 0.00 34.95 30.78 2k1w s ARG 57 CO 0.11 -1.89 1.02 -0.47 0.00 0.00 0.00 175.30 174.08 2k1w s TYR 58 N 5.47 3.58 -0.28 5.12 5.04 -1.26 -3.87 117.35 131.14 2k1w s TYR 58 Ca 0.43 1.60 0.02 0.00 -2.44 0.00 0.00 57.07 56.68 2k1w s TYR 58 Cb -0.08 -3.19 0.17 0.00 0.35 0.00 0.00 41.96 39.21 2k1w s TYR 58 CO 0.22 -0.28 0.47 -0.46 -1.34 0.00 0.00 175.55 174.16 2k1w s TRP 59 N 1.26 -1.24 0.25 4.97 -0.00 0.87 -5.00 118.94 120.07 2k1w s TRP 59 Ca 0.52 0.72 0.07 0.00 -0.00 0.00 0.00 56.10 57.41 2k1w s TRP 59 Cb -0.22 0.05 -0.03 0.00 -0.00 0.00 0.00 33.47 33.27 2k1w s TRP 59 CO 0.26 -0.96 0.23 0.16 -0.00 0.00 0.00 176.95 176.64 2k1w s ASP 60 N 2.64 5.65 0.16 5.86 -4.77 -1.26 0.09 116.67 125.04 2k1w s ASP 60 Ca 0.11 -0.21 -0.22 0.00 -3.30 0.00 0.00 52.55 48.93 2k1w s ASP 60 Cb -0.13 -1.46 0.06 0.00 -1.09 0.00 0.00 42.92 40.31 2k1w s ASP 60 CO -0.26 -0.06 0.58 -1.48 0.70 0.00 0.00 175.17 174.64 2k1w s LEU 61 N -3.88 -0.43 0.00 2.11 0.05 -0.74 -4.95 118.68 110.83 2k1w s LEU 61 Ca 0.34 -0.06 0.00 0.00 0.05 0.00 0.00 54.13 54.46 2k1w s LEU 61 Cb -0.08 2.50 0.00 0.00 -2.05 0.00 0.00 46.19 46.56 2k1w s LEU 61 CO 0.26 -0.96 0.00 0.61 -0.55 0.00 0.00 176.35 175.70 2k1w n GLY 62 N -0.36 -0.52 3.56 -3.48 0.00 -1.26 -2.13 105.19 101.01 2k1w n GLY 62 Ca -0.17 -1.70 -0.40 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 -0.71 2.87 0.02 1.61 0.04 -1.17 -4.83 135.00 132.83 2k1w s PRO 63 Ca 0.00 0.61 -0.28 0.00 0.04 0.00 0.00 61.00 61.37 2k1w s PRO 63 Cb 0.00 -4.30 0.10 0.00 0.04 0.00 0.00 34.50 30.33 2k1w s PRO 63 CO 0.00 -2.45 0.87 0.20 0.04 0.00 0.00 177.00 175.66 2k1w s GLY 64 N 6.89 -0.46 -0.10 0.56 0.00 -0.81 -4.89 107.32 108.51 2k1w s GLY 64 Ca 0.64 0.93 -0.02 0.00 0.00 0.00 0.00 44.72 46.26 2k1w s GLY 64 CO 0.22 0.30 -0.00 1.85 0.00 0.00 0.00 173.10 175.48 2k1w s GLU 65 N -3.18 3.09 0.09 2.90 -6.30 -1.26 -3.80 118.70 110.25 2k1w s GLU 65 Ca 0.05 -0.42 -0.08 0.00 -2.50 0.00 0.00 54.97 52.02 2k1w s GLU 65 Cb -0.01 -2.82 -0.01 0.00 0.00 0.00 0.00 34.13 31.30 2k1w s GLU 65 CO -0.09 0.63 0.17 1.52 0.02 0.00 0.00 175.26 177.52 2k1w s TYR 66 N -0.69 0.20 -0.49 5.30 1.13 -0.66 -5.01 117.35 117.14 2k1w s TYR 66 Ca 0.11 -0.64 0.06 0.00 -1.41 0.00 0.00 57.07 55.19 2k1w s TYR 66 Cb -0.12 -0.09 0.23 0.00 -1.10 0.00 0.00 41.96 40.89 2k1w s TYR 66 CO 0.02 -0.54 0.87 -1.13 -2.51 0.00 0.00 175.55 172.27 2k1w n SER 67 N -0.05 -2.97 -3.99 -0.18 3.41 -1.26 -2.13 113.62 106.45 2k1w n SER 67 Ca -0.15 -3.24 -0.30 0.00 -0.26 0.00 0.00 58.87 54.92 2k1w n SER 67 Cb 0.62 1.82 0.20 0.00 -0.26 0.00 0.00 64.21 66.59 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 -1.35 2.71 0.00 4.04 0.01 -1.26 -4.94 113.70 112.90 2k1w s SER 68 Ca 0.32 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2k1w s SER 68 Cb 0.20 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2k1w s SER 68 CO -0.22 -2.99 0.71 0.55 0.41 0.00 0.00 173.24 171.70 2k1w n VAL 69 N -3.93 0.00 0.00 3.43 3.14 -1.26 -4.00 118.33 115.71 2k1w n VAL 69 Ca 0.16 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 2k1w n VAL 69 Cb 0.59 0.21 0.00 0.00 -1.06 0.00 0.00 33.84 33.58 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 -0.49 1.45 0.28 -1.26 -4.91 120.64 115.72 2k1w n GLU 70 Ca -0.12 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 56.92 2k1w n GLU 70 Cb 0.58 0.00 0.22 0.00 1.43 0.00 0.00 31.44 33.67 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 3.56 -0.56 -1.84 2.88 -1.26 -3.68 113.62 112.72 2k1w n SER 71 Ca 0.00 -2.50 0.03 0.00 -1.33 0.00 0.00 58.87 55.07 2k1w n SER 71 Cb 0.00 -0.60 0.04 0.00 -0.75 0.00 0.00 64.21 62.90 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 2.16 -1.15 -1.46 0.00 -1.26 -5.07 120.51 114.07 2k1w n ALA 72 Ca 0.15 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 52.02 2k1w n ALA 72 Cb 0.76 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 -4.18 2.30 0.00 0.00 -1.24 -4.94 105.19 96.88 2k1w n GLY 73 Ca 0.04 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.93 0.29 -0.05 -0.61 2.08 -1.26 -4.89 119.36 113.99 2k1w n ILE 74 Ca 0.00 -4.58 -0.03 0.00 0.56 0.00 0.00 62.75 58.70 2k1w n ILE 74 Cb 0.00 -1.14 -0.01 0.00 -0.75 0.00 0.00 39.64 37.74 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 0.64 0.30 -3.65 0.38 -0.02 -1.26 -4.84 135.00 126.55 2k1w n PRO 75 Ca 0.25 0.42 -0.01 0.00 -2.02 0.00 0.00 63.50 62.13 2k1w n PRO 75 Cb 0.56 -1.36 -0.06 0.00 -0.02 0.00 0.00 33.50 32.62 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 -4.98 -0.27 -0.35 2.55 1.47 -1.26 -4.59 116.67 109.25 2k1w s ASP 76 Ca -0.10 0.45 -0.01 0.00 1.18 0.00 0.00 52.55 54.06 2k1w s ASP 76 Cb 0.01 0.94 0.24 0.00 -0.34 0.00 0.00 42.92 43.77 2k1w s ASP 76 CO 0.15 -0.07 2.01 -3.20 0.68 0.00 0.00 175.17 174.74 2k1w n ASN 77 N 2.99 6.56 -4.87 2.11 5.15 0.14 -4.51 115.26 122.82 2k1w n ASN 77 Ca -0.16 -3.13 -0.34 0.00 -0.60 0.00 0.00 54.58 50.35 2k1w n ASN 77 Cb 0.57 -1.05 -0.05 0.00 -0.53 0.00 0.00 39.78 38.72 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 -0.01 6.64 -1.26 1.20 0.15 -1.26 -3.61 113.70 115.55 2k1w s SER 78 Ca 0.34 0.82 -0.09 0.00 0.70 0.00 0.00 55.95 57.72 2k1w s SER 78 Cb 0.27 -2.19 0.07 0.00 -1.71 0.00 0.00 66.02 62.46 2k1w s SER 78 CO -0.00 0.09 0.46 -0.38 1.20 0.00 0.00 173.24 174.60 2k1w n ILE 79 N 0.53 -0.94 -2.92 6.45 2.08 -1.26 -3.71 119.36 119.59 2k1w n ILE 79 Ca -0.05 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 62.91 2k1w n ILE 79 Cb 0.52 -1.76 -0.06 0.00 -0.75 0.00 0.00 39.64 37.59 2k1w n ILE 79 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2k1w s SER 80 N -2.69 7.05 -0.03 4.38 0.01 -1.26 -1.61 113.70 119.56 2k1w s SER 80 Ca 0.38 1.61 -0.30 0.00 1.31 0.00 0.00 55.95 58.95 2k1w s SER 80 Cb -0.20 -2.50 0.07 0.00 0.21 0.00 0.00 66.02 63.60 2k1w s SER 80 CO 0.47 -0.17 0.67 -0.44 0.41 0.00 0.00 173.24 174.18 2k1w s SER 81 N -1.92 -0.64 -0.11 2.44 0.01 -0.29 -4.76 113.70 108.43 2k1w s SER 81 Ca 0.53 0.64 -0.17 0.00 1.31 0.00 0.00 55.95 58.27 2k1w s SER 81 Cb -0.14 0.54 0.04 0.00 0.21 0.00 0.00 66.02 66.68 2k1w s SER 81 CO 0.19 -0.64 0.43 0.72 0.41 0.00 0.00 173.24 174.34 2k1w s PHE 82 N -1.44 -0.41 0.04 2.43 -0.71 -1.26 -2.42 117.98 114.20 2k1w s PHE 82 Ca -0.10 0.90 0.06 0.00 -1.04 0.00 0.00 56.93 56.75 2k1w s PHE 82 Cb -0.00 0.17 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 2k1w s PHE 82 CO 0.08 -0.32 -0.16 1.03 -1.34 0.00 0.00 175.22 174.51 2k1w s ARG 83 N -0.38 1.07 0.18 1.99 1.81 -0.89 -3.59 118.95 119.15 2k1w s ARG 83 Ca -0.05 -0.80 0.06 0.00 -1.72 0.00 0.00 55.73 53.21 2k1w s ARG 83 Cb -0.03 -1.11 -0.04 0.00 -0.45 0.00 0.00 34.95 33.31 2k1w s ARG 83 CO 0.03 0.28 0.13 -0.65 -0.68 0.00 0.00 175.30 174.41 2k1w s GLN 84 N -1.11 2.85 0.00 3.54 1.11 -1.26 -0.56 119.66 124.22 2k1w s GLN 84 Ca 0.03 -0.93 0.00 0.00 0.01 0.00 0.00 55.36 54.48 2k1w s GLN 84 Cb -0.08 -2.60 0.00 0.00 -1.01 0.00 0.00 33.01 29.32 2k1w s GLN 84 CO 0.01 0.47 0.36 -0.89 0.01 0.00 0.00 175.29 175.25