#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 3.33 -0.39 3.17 3.84 -1.26 -5.08 114.94 118.55 2k1w s ASN 2 Ca 0.00 -1.11 0.12 0.00 0.21 0.00 0.00 52.86 52.08 2k1w s ASN 2 Cb 0.00 -0.27 0.42 0.00 -0.55 0.00 0.00 41.25 40.85 2k1w s ASN 2 CO 0.00 -0.14 0.97 0.00 -2.79 0.00 0.00 177.10 175.14 2k1w n ALA 3 N -0.63 3.85 -2.74 1.71 0.00 -1.26 -4.82 120.51 116.62 2k1w n ALA 3 Ca -0.06 -3.68 -0.02 0.00 0.00 0.00 0.00 53.44 49.68 2k1w n ALA 3 Cb 0.62 -0.80 0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.16 2.67 -3.31 0.00 0.00 -1.26 -5.05 120.51 113.40 2k1w n ALA 4 Ca 0.22 -1.88 -0.10 0.00 0.00 0.00 0.00 53.44 51.69 2k1w n ALA 4 Cb 0.71 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.67 0.41 -0.30 0.00 2.02 -1.26 -4.56 118.70 113.34 2k1w s GLU 5 Ca 0.19 0.10 -0.01 0.00 0.02 0.00 0.00 54.97 55.27 2k1w s GLU 5 Cb 0.40 -0.33 0.06 0.00 0.10 0.00 0.00 34.13 34.35 2k1w s GLU 5 CO -0.08 -1.04 -0.01 0.08 0.02 0.00 0.00 175.26 174.23 2k1w s VAL 6 N 2.52 2.79 -0.22 2.63 1.01 -1.17 -4.56 120.40 123.41 2k1w s VAL 6 Ca 0.10 -1.52 -0.02 0.00 0.00 0.00 0.00 61.98 60.53 2k1w s VAL 6 Cb -0.12 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2k1w s VAL 6 CO -0.30 -0.15 -0.09 -0.51 0.00 0.00 0.00 175.10 174.05 2k1w s ILE 7 N 1.20 2.86 0.15 2.22 1.10 -1.25 -2.47 121.20 125.01 2k1w s ILE 7 Ca -0.05 -0.78 0.04 0.00 -0.51 0.00 0.00 60.65 59.36 2k1w s ILE 7 Cb -0.20 -2.33 -0.04 0.00 0.15 0.00 0.00 42.46 40.04 2k1w s ILE 7 CO -0.02 0.39 -0.10 0.68 -2.11 0.00 0.00 174.94 173.77 2k1w s VAL 8 N 1.38 1.17 -0.03 4.00 -7.23 -1.08 -3.36 120.40 115.26 2k1w s VAL 8 Ca 0.04 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.17 2k1w s VAL 8 Cb -0.15 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 34.92 2k1w s VAL 8 CO -0.06 -0.72 -0.11 -0.31 -0.31 0.00 0.00 175.10 173.59 2k1w s TYR 9 N -3.33 1.08 -0.35 2.82 1.51 0.34 -1.58 117.35 117.84 2k1w s TYR 9 Ca 0.17 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 56.01 2k1w s TYR 9 Cb 0.03 -0.75 0.52 0.00 -0.11 0.00 0.00 41.96 41.64 2k1w s TYR 9 CO 0.01 -0.10 1.63 0.39 -1.11 0.00 0.00 175.55 176.37 2k1w n GLU 10 N 3.21 2.34 -3.06 -0.62 4.71 -1.22 -3.44 120.64 122.57 2k1w n GLU 10 Ca -0.18 -2.25 0.02 0.00 -0.01 0.00 0.00 57.16 54.74 2k1w n GLU 10 Cb 0.54 -1.91 0.01 0.00 -1.01 0.00 0.00 31.44 29.07 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 -0.47 -0.28 -0.64 -0.32 -0.00 -1.26 -4.83 115.22 107.44 2k1w n HIS 11 Ca 0.39 -0.40 -0.28 0.00 0.46 0.00 0.00 57.72 57.89 2k1w n HIS 11 Cb 1.28 0.18 0.24 0.00 -0.12 0.00 0.00 29.99 31.57 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 -2.08 2.04 -0.15 3.57 0.11 0.78 -2.39 120.40 122.29 2k1w s VAL 12 Ca 0.17 0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2k1w s VAL 12 Cb -0.00 -2.12 0.11 0.00 -1.53 0.00 0.00 36.38 32.83 2k1w s VAL 12 CO -0.00 -0.02 1.92 -3.20 -3.33 0.00 0.00 175.10 170.47 2k1w n ASN 13 N -4.79 5.60 -0.76 3.54 2.85 -1.26 -3.38 115.26 117.06 2k1w n ASN 13 Ca 0.04 -2.69 -0.01 0.00 -0.11 0.00 0.00 54.58 51.81 2k1w n ASN 13 Cb 0.54 -1.04 -0.01 0.00 1.24 0.00 0.00 39.78 40.51 2k1w n ASN 13 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2k1w n PHE 14 N 0.86 0.00 0.00 1.20 3.72 -1.26 -5.01 117.46 116.97 2k1w n PHE 14 Ca 0.14 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2k1w n PHE 14 Cb 0.56 0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.26 2k1w n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k1w n GLY 15 N 0.08 -1.54 3.72 1.37 0.00 -1.22 -5.19 105.19 102.41 2k1w n GLY 15 Ca -0.05 0.62 -0.08 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.26 -0.09 -0.02 0.00 -1.26 -4.51 107.32 101.18 2k1w s GLY 16 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 44.72 44.50 2k1w s GLY 16 CO 0.00 0.00 0.59 1.25 0.00 0.00 0.00 173.10 174.94 2k1w s LYS 17 N -3.78 4.39 -0.26 2.90 2.20 -1.26 -4.95 119.74 118.98 2k1w s LYS 17 Ca 0.08 0.67 -0.10 0.00 -0.36 0.00 0.00 55.97 56.26 2k1w s LYS 17 Cb -0.04 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 2k1w s LYS 17 CO 0.01 0.11 0.16 -1.54 -0.36 0.00 0.00 175.35 173.73 2k1w s SER 18 N 0.71 5.93 -0.56 1.43 1.04 -1.26 -3.40 113.70 117.58 2k1w s SER 18 Ca 0.32 0.01 -0.12 0.00 0.48 0.00 0.00 55.95 56.65 2k1w s SER 18 Cb -0.16 -2.08 0.14 0.00 0.10 0.00 0.00 66.02 64.01 2k1w s SER 18 CO 0.14 0.01 0.47 0.12 0.98 0.00 0.00 173.24 174.96 2k1w s PHE 19 N 1.41 3.42 -0.43 5.02 5.36 -0.61 -4.95 117.98 127.20 2k1w s PHE 19 Ca 0.07 -1.77 -0.05 0.00 -0.96 0.00 0.00 56.93 54.23 2k1w s PHE 19 Cb -0.15 -3.63 0.11 0.00 -0.34 0.00 0.00 43.02 39.02 2k1w s PHE 19 CO 0.07 -0.99 0.24 0.16 -1.46 0.00 0.00 175.22 173.25 2k1w s ASP 20 N 2.75 5.39 0.10 6.13 -4.77 -1.25 -2.62 116.67 122.41 2k1w s ASP 20 Ca 0.08 -1.99 -0.26 0.00 -3.30 0.00 0.00 52.55 47.07 2k1w s ASP 20 Cb -0.25 -1.88 0.08 0.00 -1.09 0.00 0.00 42.92 39.78 2k1w s ASP 20 CO -0.01 -0.59 0.86 0.00 0.70 0.00 0.00 175.17 176.14 2k1w s ALA 21 N 1.21 -1.68 -0.14 2.11 0.00 -1.03 -4.94 121.76 117.28 2k1w s ALA 21 Ca 0.07 0.49 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 2k1w s ALA 21 Cb -0.24 0.60 0.05 0.00 0.00 0.00 0.00 23.12 23.53 2k1w s ALA 21 CO -0.03 -0.86 0.04 -0.08 0.00 0.00 0.00 175.76 174.82 2k1w s THR 22 N -3.34 0.30 0.00 0.00 -1.32 -1.26 -3.04 115.64 106.98 2k1w s THR 22 Ca 0.08 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 2k1w s THR 22 Cb -0.02 -0.71 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 2k1w s THR 22 CO -0.04 -0.05 0.00 -0.24 -2.21 0.00 0.00 174.62 172.08 2k1w n SER 23 N 5.15 0.00 -2.29 8.08 2.88 -1.26 -5.01 113.62 121.17 2k1w n SER 23 Ca -0.07 -0.91 -0.23 0.00 -1.33 0.00 0.00 58.87 56.32 2k1w n SER 23 Cb 0.49 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 2k1w n SER 23 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k1w n ASP 24 N -0.01 6.38 -4.88 -3.46 9.92 -1.26 -4.96 116.55 118.28 2k1w n ASP 24 Ca 0.00 -3.11 -0.30 0.00 -0.53 0.00 0.00 54.79 50.85 2k1w n ASP 24 Cb 0.00 -1.20 0.03 0.00 -0.64 0.00 0.00 41.12 39.31 2k1w n ASP 24 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2k1w s GLN 25 N -1.53 3.19 0.00 -1.24 1.11 -1.26 -5.09 119.66 114.84 2k1w s GLN 25 Ca 0.52 0.51 0.00 0.00 0.01 0.00 0.00 55.36 56.40 2k1w s GLN 25 Cb 0.34 -2.09 0.00 0.00 -1.01 0.00 0.00 33.01 30.25 2k1w s GLN 25 CO -0.15 -0.78 0.00 -0.35 0.01 0.00 0.00 175.29 174.03 2k1w n PRO 26 N -2.82 -0.12 -2.76 2.91 -0.04 -1.26 -4.90 135.00 126.01 2k1w n PRO 26 Ca 0.06 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.09 2k1w n PRO 26 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 2k1w n PRO 26 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k1w s GLY 27 N -2.90 1.67 -0.40 0.55 0.00 -1.25 -4.89 107.32 100.09 2k1w s GLY 27 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 44.72 44.35 2k1w s GLY 27 CO 0.00 2.05 1.12 0.00 0.00 0.00 0.00 173.10 176.27 2k1w s ALA 28 N 3.22 3.32 -0.29 3.20 0.00 -1.26 -4.54 121.76 125.40 2k1w s ALA 28 Ca 0.40 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.13 2k1w s ALA 28 Cb -0.14 -3.79 0.20 0.00 0.00 0.00 0.00 23.12 19.38 2k1w s ALA 28 CO 0.10 -1.89 0.59 0.20 0.00 0.00 0.00 175.76 174.77 2k1w s GLY 29 N 2.13 -1.14 -0.33 0.00 0.00 -1.24 -4.66 107.32 102.07 2k1w s GLY 29 Ca 0.47 1.42 0.05 0.00 0.00 0.00 0.00 44.72 46.67 2k1w s GLY 29 CO 0.24 3.54 0.52 -0.35 0.00 0.00 0.00 173.10 177.05 2k1w s ASP 30 N 2.84 -0.59 0.14 1.64 2.15 -1.26 -4.41 116.67 117.17 2k1w s ASP 30 Ca 0.15 -0.50 -0.24 0.00 0.43 0.00 0.00 52.55 52.39 2k1w s ASP 30 Cb -0.12 1.52 0.07 0.00 -0.30 0.00 0.00 42.92 44.09 2k1w s ASP 30 CO -0.24 -0.28 0.69 0.20 -0.17 0.00 0.00 175.17 175.38 2k1w s ASN 31 N 2.28 -0.48 -0.19 -0.34 -0.87 -1.26 -5.03 114.94 109.05 2k1w s ASN 31 Ca 0.12 -0.08 -0.15 0.00 -1.57 0.00 0.00 52.86 51.18 2k1w s ASN 31 Cb -0.10 0.56 -0.04 0.00 -0.02 0.00 0.00 41.25 41.65 2k1w s ASN 31 CO -0.19 -0.93 0.38 -0.22 -2.57 0.00 0.00 177.10 173.57 2k1w s LEU 32 N -2.72 4.18 0.27 0.60 2.96 -1.26 -4.53 118.68 118.18 2k1w s LEU 32 Ca 0.03 0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.47 2k1w s LEU 32 Cb -0.02 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 44.19 2k1w s LEU 32 CO -0.09 -0.03 0.00 0.59 -1.32 0.00 0.00 176.35 175.49 2k1w n ASN 33 N 4.22 -6.98 -3.80 3.68 5.03 -1.26 -4.59 115.26 111.56 2k1w n ASN 33 Ca -0.09 0.91 -0.42 0.00 0.87 0.00 0.00 54.58 55.85 2k1w n ASN 33 Cb 0.51 -3.11 -0.04 0.00 -1.02 0.00 0.00 39.78 36.13 2k1w n ASN 33 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2k1w n ASP 34 N 0.04 3.14 -4.52 6.41 8.00 -1.26 -4.06 116.55 124.30 2k1w n ASP 34 Ca 0.00 -2.75 -0.27 0.00 0.71 0.00 0.00 54.79 52.48 2k1w n ASP 34 Cb 0.00 -1.38 0.13 0.00 -0.02 0.00 0.00 41.12 39.85 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 4.52 1.37 0.23 -1.24 3.01 -1.26 -4.46 119.74 121.90 2k1w s LYS 35 Ca 0.55 -0.53 -0.31 0.00 -1.01 0.00 0.00 55.97 54.67 2k1w s LYS 35 Cb 0.12 -2.06 -0.15 0.00 -1.01 0.00 0.00 37.83 34.74 2k1w s LYS 35 CO 0.05 -1.83 1.10 1.51 0.51 0.00 0.00 175.35 176.70 2k1w n ILE 36 N -3.29 1.38 -4.28 2.17 3.06 -1.26 -4.82 119.36 112.33 2k1w n ILE 36 Ca 0.13 -0.34 -0.15 0.00 -2.50 0.00 0.00 62.75 59.88 2k1w n ILE 36 Cb 0.60 -0.93 -0.10 0.00 0.54 0.00 0.00 39.64 39.75 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 -0.24 1.99 -0.25 9.51 0.01 -1.26 -0.15 113.70 123.30 2k1w s SER 37 Ca 0.67 -1.02 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 2k1w s SER 37 Cb -0.78 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 65.44 2k1w s SER 37 CO 0.55 -0.30 -0.05 -0.55 0.41 0.00 0.00 173.24 173.31 2k1w s SER 38 N -3.21 4.38 -0.25 2.44 0.15 -1.00 -4.36 113.70 111.86 2k1w s SER 38 Ca 0.18 -0.87 0.03 0.00 0.70 0.00 0.00 55.95 55.99 2k1w s SER 38 Cb 0.02 -1.68 0.05 0.00 -1.71 0.00 0.00 66.02 62.70 2k1w s SER 38 CO 0.02 -0.13 -0.12 -0.63 1.20 0.00 0.00 173.24 173.58 2k1w s ILE 39 N 1.34 2.12 -0.30 6.45 1.09 -0.94 -0.50 121.20 130.45 2k1w s ILE 39 Ca 0.00 -1.52 -0.03 0.00 -1.10 0.00 0.00 60.65 58.00 2k1w s ILE 39 Cb -0.17 -2.19 0.10 0.00 -1.06 0.00 0.00 42.46 39.14 2k1w s ILE 39 CO -0.04 0.04 0.13 -0.75 -0.10 0.00 0.00 174.94 174.22 2k1w s LYS 40 N 1.14 0.35 -0.00 2.79 2.20 -1.21 -1.12 119.74 123.89 2k1w s LYS 40 Ca -0.07 -0.72 -0.14 0.00 -0.36 0.00 0.00 55.97 54.69 2k1w s LYS 40 Cb -0.19 -1.39 0.02 0.00 -1.51 0.00 0.00 37.83 34.76 2k1w s LYS 40 CO -0.06 -1.02 0.28 0.08 -0.36 0.00 0.00 175.35 174.27 2k1w s VAL 41 N 1.91 0.07 -0.41 4.02 1.01 -1.25 -4.02 120.40 121.73 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 -0.65 0.14 0.00 0.00 0.00 0.00 36.38 35.70 2k1w s VAL 41 CO -0.32 -0.30 0.24 -0.54 0.00 0.00 0.00 175.10 174.18 2k1w s LYS 42 N -1.56 0.96 -0.30 2.72 1.02 -1.26 -2.07 119.74 119.24 2k1w s LYS 42 Ca -0.12 -1.76 -0.01 0.00 0.02 0.00 0.00 55.97 54.10 2k1w s LYS 42 Cb -0.05 -1.82 0.19 0.00 -0.52 0.00 0.00 37.83 35.64 2k1w s LYS 42 CO 0.03 -1.21 0.79 -1.54 -0.92 0.00 0.00 175.35 172.50 2k1w s SER 43 N 0.59 -1.09 0.74 2.83 1.04 -1.26 -4.79 113.70 111.75 2k1w s SER 43 Ca 0.20 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2k1w s SER 43 Cb -0.20 1.66 0.00 0.00 0.10 0.00 0.00 66.02 67.58 2k1w s SER 43 CO -0.02 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2k1w n GLY 44 N 5.17 0.96 3.61 7.32 0.00 -1.25 -4.54 105.19 116.46 2k1w n GLY 44 Ca 0.07 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 3.57 0.19 2.61 -4.23 -1.01 -3.50 115.64 113.27 2k1w s THR 45 Ca 0.00 -1.15 0.07 0.00 -1.18 0.00 0.00 61.69 59.43 2k1w s THR 45 Cb 0.00 -2.67 -0.05 0.00 1.34 0.00 0.00 72.50 71.12 2k1w s THR 45 CO 0.00 0.14 -0.13 0.26 -0.54 0.00 0.00 174.62 174.34 2k1w s TRP 46 N -1.22 1.59 -0.32 3.99 0.51 -0.92 -0.96 118.94 121.59 2k1w s TRP 46 Ca 0.22 -0.62 0.01 0.00 -2.12 0.00 0.00 56.10 53.59 2k1w s TRP 46 Cb -0.11 -0.75 0.08 0.00 -0.81 0.00 0.00 33.47 31.87 2k1w s TRP 46 CO 0.14 0.28 0.03 1.03 -0.51 0.00 0.00 176.95 177.92 2k1w s ARG 47 N -3.63 2.00 -0.05 4.98 3.00 0.73 -1.87 118.95 124.10 2k1w s ARG 47 Ca 0.20 -1.59 -0.15 0.00 0.00 0.00 0.00 55.73 54.20 2k1w s ARG 47 Cb -0.00 -3.19 -0.05 0.00 0.00 0.00 0.00 34.95 31.71 2k1w s ARG 47 CO 0.05 -0.79 0.40 -0.06 0.00 0.00 0.00 175.30 174.90 2k1w s PHE 48 N 1.08 3.64 -0.29 -0.53 0.08 0.12 -1.62 117.98 120.46 2k1w s PHE 48 Ca 0.02 0.90 -0.12 0.00 0.12 0.00 0.00 56.93 57.84 2k1w s PHE 48 Cb -0.20 -2.35 0.11 0.00 -0.57 0.00 0.00 43.02 40.01 2k1w s PHE 48 CO -0.05 0.48 0.66 1.52 -0.10 0.00 0.00 175.22 177.73 2k1w s TYR 49 N -0.47 -1.22 -1.25 0.36 -0.85 -0.75 -0.10 117.35 113.07 2k1w s TYR 49 Ca 0.23 2.24 -0.08 0.00 -0.52 0.00 0.00 57.07 58.94 2k1w s TYR 49 Cb -0.16 0.73 0.19 0.00 0.38 0.00 0.00 41.96 43.10 2k1w s TYR 49 CO 0.11 -0.61 1.85 0.39 -1.52 0.00 0.00 175.55 175.77 2k1w n GLU 50 N 4.98 3.85 -3.02 -3.49 1.02 -1.25 -1.22 120.64 121.51 2k1w n GLU 50 Ca -0.15 -3.70 0.00 0.00 -0.02 0.00 0.00 57.16 53.29 2k1w n GLU 50 Cb 0.53 -2.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 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 3.25 0.00 -1.17 -0.32 4.01 -0.66 -4.65 117.16 117.62 2k1w n TYR 51 Ca 0.39 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.79 2k1w n TYR 51 Cb 0.35 0.00 0.12 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 -2.45 2.04 0.53 -0.72 1.10 -1.22 -4.34 121.20 116.14 2k1w s ILE 52 Ca 0.00 0.02 0.21 0.00 -0.51 0.00 0.00 60.65 60.37 2k1w s ILE 52 Cb 0.00 -2.47 0.33 0.00 0.15 0.00 0.00 42.46 40.47 2k1w s ILE 52 CO 0.00 -0.01 2.09 -1.13 -2.11 0.00 0.00 174.94 173.77 2k1w h ASN 53 N -0.79 0.00 -3.77 4.50 -1.24 -1.96 -3.28 115.58 109.04 2k1w h ASN 53 Ca -0.47 0.00 -0.63 0.00 0.71 0.00 0.00 56.30 55.91 2k1w h ASN 53 Cb 1.30 0.00 -0.41 0.00 0.73 0.00 0.00 38.32 39.94 2k1w h ASN 53 CO 0.47 0.00 -0.62 -0.72 -1.29 0.00 0.00 177.43 175.27 2k1w s TYR 54 N -5.01 3.25 0.00 0.67 -0.85 -1.26 -4.83 117.35 109.33 2k1w s TYR 54 Ca -0.05 -3.20 0.00 0.00 -0.52 0.00 0.00 57.07 53.30 2k1w s TYR 54 Cb 0.18 -2.70 0.00 0.00 0.38 0.00 0.00 41.96 39.82 2k1w s TYR 54 CO 0.68 -0.66 0.00 0.41 -1.52 0.00 0.00 175.55 174.46 2k1w n GLY 55 N 2.64 0.59 3.24 5.49 0.00 -1.24 -5.18 105.19 110.74 2k1w n GLY 55 Ca 0.12 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 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 1.16 3.57 -0.02 0.00 -1.26 -4.07 105.19 104.58 2k1w n GLY 56 Ca 0.00 -1.24 -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 -1.60 0.00 0.00 0.00 173.32 171.72 2k1w s ARG 57 N -2.10 3.40 -0.01 1.61 3.00 -1.26 -5.00 118.95 118.58 2k1w s ARG 57 Ca 0.14 0.11 -0.29 0.00 -1.00 0.00 0.00 55.73 54.69 2k1w s ARG 57 Cb -0.04 -4.08 -0.03 0.00 0.00 0.00 0.00 34.95 30.80 2k1w s ARG 57 CO 0.11 -1.85 0.94 -0.47 0.00 0.00 0.00 175.30 174.03 2k1w s TYR 58 N 5.29 3.64 -0.28 5.12 5.04 -1.26 -3.90 117.35 131.00 2k1w s TYR 58 Ca 0.41 1.63 0.02 0.00 -2.44 0.00 0.00 57.07 56.70 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 -0.01 0.47 -0.46 -1.34 0.00 0.00 175.55 174.43 2k1w s TRP 59 N 1.04 -1.28 0.25 4.97 -0.00 0.85 -5.00 118.94 119.77 2k1w s TRP 59 Ca 0.50 0.73 0.05 0.00 -0.00 0.00 0.00 56.10 57.38 2k1w s TRP 59 Cb -0.20 0.07 -0.03 0.00 -0.00 0.00 0.00 33.47 33.30 2k1w s TRP 59 CO 0.26 -0.97 0.36 0.16 -0.00 0.00 0.00 176.95 176.76 2k1w s ASP 60 N 2.65 6.25 0.15 5.86 -4.77 -1.26 0.13 116.67 125.68 2k1w s ASP 60 Ca 0.11 0.03 -0.21 0.00 -3.30 0.00 0.00 52.55 49.19 2k1w s ASP 60 Cb -0.12 -1.79 0.06 0.00 -1.09 0.00 0.00 42.92 39.98 2k1w s ASP 60 CO -0.26 -0.10 0.54 -1.48 0.70 0.00 0.00 175.17 174.57 2k1w s LEU 61 N -3.99 -0.27 0.00 2.11 0.05 -0.78 -4.93 118.68 110.87 2k1w s LEU 61 Ca 0.35 -0.11 0.00 0.00 0.05 0.00 0.00 54.13 54.42 2k1w s LEU 61 Cb -0.09 2.37 0.00 0.00 -2.05 0.00 0.00 46.19 46.42 2k1w s LEU 61 CO 0.29 -0.94 0.00 0.61 -0.55 0.00 0.00 176.35 175.76 2k1w n GLY 62 N -0.34 -0.42 3.57 -3.48 0.00 -1.26 -2.17 105.19 101.09 2k1w n GLY 62 Ca -0.16 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.81 3.17 0.02 1.61 0.04 -1.23 -4.82 135.00 132.97 2k1w s PRO 63 Ca 0.00 0.37 -0.28 0.00 0.04 0.00 0.00 61.00 61.13 2k1w s PRO 63 Cb 0.00 -4.18 0.10 0.00 0.04 0.00 0.00 34.50 30.46 2k1w s PRO 63 CO 0.00 -2.11 0.87 0.20 0.04 0.00 0.00 177.00 176.00 2k1w s GLY 64 N 4.95 -0.46 0.00 0.56 0.00 -0.88 -4.89 107.32 106.61 2k1w s GLY 64 Ca 0.52 0.91 0.01 0.00 0.00 0.00 0.00 44.72 46.16 2k1w s GLY 64 CO 0.22 0.30 0.01 1.85 0.00 0.00 0.00 173.10 175.48 2k1w s GLU 65 N -3.18 2.80 0.16 2.90 -6.30 -1.26 -3.79 118.70 110.03 2k1w s GLU 65 Ca 0.05 -0.61 -0.23 0.00 -2.50 0.00 0.00 54.97 51.68 2k1w s GLU 65 Cb -0.01 -2.68 0.07 0.00 0.00 0.00 0.00 34.13 31.51 2k1w s GLU 65 CO -0.09 0.62 0.60 1.52 0.02 0.00 0.00 175.26 177.94 2k1w s TYR 66 N -1.11 -0.54 -0.49 5.30 1.13 -0.28 -5.00 117.35 116.36 2k1w s TYR 66 Ca 0.20 0.33 0.06 0.00 -1.41 0.00 0.00 57.07 56.25 2k1w s TYR 66 Cb -0.12 0.56 0.22 0.00 -1.10 0.00 0.00 41.96 41.53 2k1w s TYR 66 CO 0.11 -0.85 0.85 -1.13 -2.51 0.00 0.00 175.55 172.02 2k1w n SER 67 N -0.37 -3.03 -4.58 -0.18 3.41 -1.26 -2.20 113.62 105.40 2k1w n SER 67 Ca -0.17 -3.13 -0.27 0.00 -0.26 0.00 0.00 58.87 55.05 2k1w n SER 67 Cb 0.65 1.78 0.12 0.00 -0.26 0.00 0.00 64.21 66.50 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 -0.83 4.07 0.00 4.04 0.01 -1.26 -4.95 113.70 114.78 2k1w s SER 68 Ca 0.31 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2k1w s SER 68 Cb 0.16 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.84 2k1w s SER 68 CO -0.18 -2.09 0.59 0.55 0.41 0.00 0.00 173.24 172.52 2k1w n VAL 69 N -3.22 0.00 -1.79 3.43 3.14 -1.26 -4.15 118.33 114.47 2k1w n VAL 69 Ca 0.12 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.48 2k1w n VAL 69 Cb 0.60 0.45 -0.02 0.00 -1.06 0.00 0.00 33.84 33.81 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 0.06 -0.49 1.45 -0.00 -1.26 -4.89 120.64 115.50 2k1w n GLU 70 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 57.16 56.78 2k1w n GLU 70 Cb 0.57 0.46 0.00 0.00 -0.00 0.00 0.00 31.44 32.47 2k1w n GLU 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2k1w n SER 71 N -0.07 0.00 -0.50 -1.84 2.88 -1.26 -4.88 113.62 107.95 2k1w n SER 71 Ca -0.10 -1.40 0.04 0.00 -1.33 0.00 0.00 58.87 56.08 2k1w n SER 71 Cb 0.44 -0.08 0.06 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.00 2.23 -1.88 -1.46 0.00 -1.26 -5.07 120.51 113.08 2k1w n ALA 72 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.64 2k1w n ALA 72 Cb 0.58 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.44 -4.94 2.64 0.00 0.00 -1.26 -4.95 105.19 96.24 2k1w n GLY 73 Ca 0.07 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 1.30 2.99 -0.06 -0.61 5.41 -1.26 -4.86 119.36 122.27 2k1w n ILE 74 Ca 0.00 -5.43 -0.04 0.00 1.00 0.00 0.00 62.75 58.28 2k1w n ILE 74 Cb 0.00 -1.85 -0.01 0.00 -0.71 0.00 0.00 39.64 37.06 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 3.89 0.00 -0.74 0.38 0.11 -1.93 -3.46 132.00 130.26 2k1w h PRO 75 Ca 0.19 0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.52 2k1w h PRO 75 Cb 0.59 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.41 2k1w h PRO 75 CO 0.89 0.00 0.57 0.34 -0.21 0.00 0.00 178.00 179.59 2k1w s ASP 76 N -5.31 -0.17 -1.15 -2.05 -1.08 -1.26 -4.65 116.67 101.00 2k1w s ASP 76 Ca -0.12 0.25 -0.22 0.00 -0.52 0.00 0.00 52.55 51.95 2k1w s ASP 76 Cb 0.02 1.14 -0.01 0.00 -1.46 0.00 0.00 42.92 42.61 2k1w s ASP 76 CO 0.17 -0.04 1.79 0.21 0.52 0.00 0.00 175.17 177.83 2k1w s ASN 77 N 1.62 5.89 -0.03 -0.34 2.47 -1.26 -4.45 114.94 118.84 2k1w s ASN 77 Ca -0.04 -1.72 0.02 0.00 0.42 0.00 0.00 52.86 51.54 2k1w s ASN 77 Cb -0.02 -2.58 0.01 0.00 -1.45 0.00 0.00 41.25 37.21 2k1w s ASN 77 CO -0.14 -2.14 -0.07 -0.55 -3.72 0.00 0.00 177.10 170.49 2k1w s SER 78 N 5.76 0.98 -1.52 -4.21 0.15 -1.26 -4.25 113.70 109.36 2k1w s SER 78 Ca 0.60 -0.15 -0.14 0.00 0.70 0.00 0.00 55.95 56.97 2k1w s SER 78 Cb -0.00 -0.32 0.11 0.00 -1.71 0.00 0.00 66.02 64.09 2k1w s SER 78 CO 0.05 0.02 0.76 -0.38 1.20 0.00 0.00 173.24 174.90 2k1w n ILE 79 N 3.51 -1.36 -2.90 6.45 5.41 -1.26 -3.95 119.36 125.25 2k1w n ILE 79 Ca -0.20 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.17 2k1w n ILE 79 Cb 0.54 -2.15 -0.06 0.00 -0.71 0.00 0.00 39.64 37.26 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 -3.10 7.36 0.12 4.38 0.01 -1.26 -1.66 113.70 119.56 2k1w s SER 80 Ca 0.61 1.71 -0.24 0.00 1.31 0.00 0.00 55.95 59.34 2k1w s SER 80 Cb -0.32 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.46 2k1w s SER 80 CO 0.75 0.09 0.63 -0.44 0.41 0.00 0.00 173.24 174.67 2k1w s SER 81 N -1.39 -0.57 -0.16 2.44 0.01 -0.36 -3.64 113.70 110.03 2k1w s SER 81 Ca 0.42 0.09 -0.09 0.00 1.31 0.00 0.00 55.95 57.69 2k1w s SER 81 Cb -0.21 0.58 0.06 0.00 0.21 0.00 0.00 66.02 66.66 2k1w s SER 81 CO 0.26 -0.90 0.39 0.72 0.41 0.00 0.00 173.24 174.11 2k1w s PHE 82 N -3.38 -0.56 -0.23 2.43 -0.71 -1.26 -1.80 117.98 112.47 2k1w s PHE 82 Ca -0.00 1.21 -0.10 0.00 -1.04 0.00 0.00 56.93 57.00 2k1w s PHE 82 Cb -0.01 0.23 -0.05 0.00 -1.21 0.00 0.00 43.02 41.99 2k1w s PHE 82 CO -0.10 -0.33 0.13 0.50 -1.34 0.00 0.00 175.22 174.09 2k1w s ARG 83 N 1.37 4.04 -0.11 1.99 3.52 -0.64 -3.96 118.95 125.15 2k1w s ARG 83 Ca -0.09 -0.29 -0.11 0.00 -0.13 0.00 0.00 55.73 55.11 2k1w s ARG 83 Cb -0.09 -3.46 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 2k1w s ARG 83 CO -0.12 0.11 0.24 -0.65 -0.81 0.00 0.00 175.30 174.06 2k1w s GLN 84 N 0.90 3.84 0.00 5.12 -0.21 -1.26 -0.20 119.66 127.85 2k1w s GLN 84 Ca 0.07 0.03 0.03 0.00 0.02 0.00 0.00 55.36 55.51 2k1w s GLN 84 Cb -0.13 -3.28 0.02 0.00 1.00 0.00 0.00 33.01 30.62 2k1w s GLN 84 CO 0.03 0.57 0.59 -0.89 -2.12 0.00 0.00 175.29 173.47