#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 0.24 -0.51 6.12 2.20 -1.26 -5.02 114.94 116.71 2k1w s ASN 2 Ca 0.00 -2.13 0.07 0.00 -0.94 0.00 0.00 52.86 49.87 2k1w s ASN 2 Cb 0.00 0.73 0.34 0.00 -2.00 0.00 0.00 41.25 40.32 2k1w s ASN 2 CO 0.00 -0.15 0.87 0.00 -2.94 0.00 0.00 177.10 174.88 2k1w n ALA 3 N 3.31 3.78 -3.25 3.54 0.00 -1.26 -5.05 120.51 121.59 2k1w n ALA 3 Ca 0.20 -4.27 -0.13 0.00 0.00 0.00 0.00 53.44 49.24 2k1w n ALA 3 Cb 0.50 -0.80 -0.10 0.00 0.00 0.00 0.00 19.45 19.05 2k1w n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k1w s ALA 4 N -3.09 -0.88 -0.29 0.00 0.00 -1.26 -5.13 121.76 111.11 2k1w s ALA 4 Ca 0.46 0.98 -0.02 0.00 0.00 0.00 0.00 51.96 53.39 2k1w s ALA 4 Cb 0.30 -0.56 0.09 0.00 0.00 0.00 0.00 23.12 22.95 2k1w s ALA 4 CO -0.12 -0.17 0.09 -1.21 0.00 0.00 0.00 175.76 174.35 2k1w s GLU 5 N 0.13 0.63 -0.48 0.00 2.02 -1.26 -4.66 118.70 115.08 2k1w s GLU 5 Ca -0.01 -0.89 -0.10 0.00 0.02 0.00 0.00 54.97 53.99 2k1w s GLU 5 Cb -0.03 -1.87 0.12 0.00 0.10 0.00 0.00 34.13 32.45 2k1w s GLU 5 CO 0.01 -0.94 0.36 0.08 0.02 0.00 0.00 175.26 174.79 2k1w s VAL 6 N 1.73 4.33 -0.22 2.63 1.01 -1.16 -4.52 120.40 124.19 2k1w s VAL 6 Ca 0.08 -1.76 -0.04 0.00 0.00 0.00 0.00 61.98 60.26 2k1w s VAL 6 Cb -0.17 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2k1w s VAL 6 CO -0.25 -0.79 -0.04 -0.51 0.00 0.00 0.00 175.10 173.52 2k1w s ILE 7 N 1.39 3.40 0.09 2.22 2.07 -1.26 -2.47 121.20 126.64 2k1w s ILE 7 Ca 0.05 -0.50 0.01 0.00 -1.41 0.00 0.00 60.65 58.81 2k1w s ILE 7 Cb -0.27 -2.56 -0.04 0.00 0.13 0.00 0.00 42.46 39.73 2k1w s ILE 7 CO -0.00 0.41 -0.05 0.68 -1.91 0.00 0.00 174.94 174.07 2k1w s VAL 8 N 1.48 0.53 -0.03 4.00 -7.23 -0.75 -3.38 120.40 115.02 2k1w s VAL 8 Ca 0.06 -1.90 0.07 0.00 -1.81 0.00 0.00 61.98 58.40 2k1w s VAL 8 Cb -0.14 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 2k1w s VAL 8 CO -0.03 -0.90 -0.25 -0.31 -0.31 0.00 0.00 175.10 173.30 2k1w s TYR 9 N -3.73 2.38 -0.35 2.82 1.51 0.32 -1.26 117.35 119.05 2k1w s TYR 9 Ca 0.11 -0.51 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 2k1w s TYR 9 Cb 0.06 -1.53 0.51 0.00 -0.11 0.00 0.00 41.96 40.89 2k1w s TYR 9 CO -0.06 -0.08 1.62 0.39 -1.11 0.00 0.00 175.55 176.31 2k1w n GLU 10 N 2.58 2.27 -1.76 -0.62 4.71 -1.24 -3.45 120.64 123.12 2k1w n GLU 10 Ca -0.16 -2.21 -0.00 0.00 -0.01 0.00 0.00 57.16 54.77 2k1w n GLU 10 Cb 0.51 -1.90 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 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 -0.49 -0.64 -0.48 -0.32 -0.00 -1.26 -4.92 115.22 107.12 2k1w n HIS 11 Ca 0.39 -0.15 -0.29 0.00 0.46 0.00 0.00 57.72 58.13 2k1w n HIS 11 Cb 1.28 0.07 0.27 0.00 -0.12 0.00 0.00 29.99 31.50 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 -2.48 1.77 -0.22 3.57 0.11 0.23 -2.45 120.40 120.91 2k1w s VAL 12 Ca 0.03 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.07 2k1w s VAL 12 Cb -0.00 -2.06 0.14 0.00 -1.53 0.00 0.00 36.38 32.93 2k1w s VAL 12 CO 0.01 0.00 2.06 -3.20 -3.33 0.00 0.00 175.10 170.63 2k1w n ASN 13 N -5.19 6.13 0.00 3.54 5.15 -1.26 -3.66 115.26 119.98 2k1w n ASN 13 Ca 0.05 -2.87 0.00 0.00 -0.60 0.00 0.00 54.58 51.16 2k1w n ASN 13 Cb 0.56 -1.09 0.00 0.00 -0.53 0.00 0.00 39.78 38.72 2k1w n ASN 13 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2k1w n PHE 14 N 0.73 0.00 -2.47 1.20 1.16 -1.26 -5.03 117.46 111.79 2k1w n PHE 14 Ca 0.22 0.00 -0.00 0.00 -1.87 0.00 0.00 57.45 55.80 2k1w n PHE 14 Cb 0.56 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.44 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 0.00 -0.58 3.74 4.97 0.00 -1.24 -5.17 105.19 106.91 2k1w n GLY 15 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.15 -0.24 0.18 -0.02 0.00 -1.26 -4.51 107.32 101.32 2k1w s GLY 16 Ca 0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 44.72 44.52 2k1w s GLY 16 CO -0.02 -0.01 0.61 -1.59 0.00 0.00 0.00 173.10 172.09 2k1w s LYS 17 N -3.82 4.04 0.29 2.90 0.00 -1.26 -4.97 119.74 116.92 2k1w s LYS 17 Ca 0.09 0.58 -0.09 0.00 0.00 0.00 0.00 55.97 56.55 2k1w s LYS 17 Cb -0.04 -2.87 -0.07 0.00 0.00 0.00 0.00 37.83 34.85 2k1w s LYS 17 CO 0.01 0.43 0.62 -1.54 0.00 0.00 0.00 175.35 174.87 2k1w s SER 18 N -1.78 6.58 -0.32 0.03 1.04 -1.26 -3.72 113.70 114.27 2k1w s SER 18 Ca 0.41 0.95 -0.01 0.00 0.48 0.00 0.00 55.95 57.78 2k1w s SER 18 Cb -0.15 -2.24 0.10 0.00 0.10 0.00 0.00 66.02 63.83 2k1w s SER 18 CO 0.20 -0.18 0.10 0.12 0.98 0.00 0.00 173.24 174.46 2k1w s PHE 19 N -2.01 1.73 -0.31 5.02 5.36 -0.39 -5.02 117.98 122.36 2k1w s PHE 19 Ca 0.48 -1.78 -0.04 0.00 -0.96 0.00 0.00 56.93 54.63 2k1w s PHE 19 Cb -0.11 -1.73 0.04 0.00 -0.34 0.00 0.00 43.02 40.89 2k1w s PHE 19 CO 0.25 -0.87 0.04 0.16 -1.46 0.00 0.00 175.22 173.34 2k1w s ASP 20 N 1.55 5.05 0.12 6.13 -4.77 -1.26 -1.80 116.67 121.68 2k1w s ASP 20 Ca 0.10 -1.17 -0.25 0.00 -3.30 0.00 0.00 52.55 47.93 2k1w s ASP 20 Cb -0.18 -1.78 0.07 0.00 -1.09 0.00 0.00 42.92 39.94 2k1w s ASP 20 CO -0.24 -0.28 0.86 0.00 0.70 0.00 0.00 175.17 176.21 2k1w s ALA 21 N 1.33 -1.65 0.62 2.11 0.00 -1.03 -5.01 121.76 118.13 2k1w s ALA 21 Ca -0.03 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 2k1w s ALA 21 Cb -0.19 0.63 0.09 0.00 0.00 0.00 0.00 23.12 23.64 2k1w s ALA 21 CO 0.01 -0.89 0.59 0.25 0.00 0.00 0.00 175.76 175.72 2k1w n THR 22 N -0.38 0.00 -2.08 0.00 -2.24 -1.26 -2.99 114.28 105.32 2k1w n THR 22 Ca -0.08 -0.88 -0.42 0.00 -2.27 0.00 0.00 64.05 60.40 2k1w n THR 22 Cb 0.61 -1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 67.67 2k1w n THR 22 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k1w s SER 23 N -3.38 5.81 0.00 3.42 0.15 -1.26 -4.05 113.70 114.39 2k1w s SER 23 Ca 0.39 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.96 2k1w s SER 23 Cb -0.02 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2k1w s SER 23 CO 0.26 -1.84 0.00 -0.67 1.20 0.00 0.00 173.24 172.18 2k1w n ASP 24 N 10.68 0.00 -4.88 5.45 -0.08 -1.26 -5.15 116.55 121.31 2k1w n ASP 24 Ca 0.21 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.18 2k1w n ASP 24 Cb 0.48 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.98 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 -0.56 3.14 -0.55 -0.67 1.11 -1.26 -4.94 119.66 115.93 2k1w s GLN 25 Ca 0.00 0.58 -0.07 0.00 0.01 0.00 0.00 55.36 55.88 2k1w s GLN 25 Cb 0.00 -2.04 -0.20 0.00 -1.01 0.00 0.00 33.01 29.76 2k1w s GLN 25 CO 0.00 -0.86 3.39 -0.35 0.01 0.00 0.00 175.29 177.48 2k1w n PRO 26 N -2.91 2.59 0.00 2.91 -0.04 -1.26 -4.96 135.00 131.32 2k1w n PRO 26 Ca 0.07 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 2k1w n PRO 26 Cb 0.56 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 2.82 2.46 3.94 0.55 0.00 -1.26 -4.64 105.19 109.06 2k1w n GLY 27 Ca 0.55 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.59 3.84 -0.29 4.61 0.00 -1.26 -4.91 121.76 122.15 2k1w s ALA 28 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2k1w s ALA 28 Cb 0.00 -1.94 0.19 0.00 0.00 0.00 0.00 23.12 21.37 2k1w s ALA 28 CO 0.00 0.32 0.60 0.20 0.00 0.00 0.00 175.76 176.88 2k1w s GLY 29 N -3.50 -1.13 -0.28 0.00 0.00 -1.26 -4.28 107.32 96.87 2k1w s GLY 29 Ca 0.37 1.46 -0.22 0.00 0.00 0.00 0.00 44.72 46.32 2k1w s GLY 29 CO 0.30 3.55 0.79 0.99 0.00 0.00 0.00 173.10 178.73 2k1w s ASP 30 N 2.85 -0.72 -0.57 1.64 1.01 -1.26 -5.11 116.67 114.51 2k1w s ASP 30 Ca 0.15 1.31 -0.22 0.00 0.71 0.00 0.00 52.55 54.51 2k1w s ASP 30 Cb -0.12 1.32 0.06 0.00 1.01 0.00 0.00 42.92 45.19 2k1w s ASP 30 CO -0.23 -0.22 0.84 0.20 0.21 0.00 0.00 175.17 175.97 2k1w s ASN 31 N 0.68 6.26 0.02 0.27 -0.87 -1.26 -4.47 114.94 115.57 2k1w s ASN 31 Ca -0.02 -0.73 -0.08 0.00 -1.57 0.00 0.00 52.86 50.46 2k1w s ASN 31 Cb -0.05 -2.38 0.03 0.00 -0.02 0.00 0.00 41.25 38.83 2k1w s ASN 31 CO -0.06 -1.18 0.39 0.00 -2.57 0.00 0.00 177.10 173.69 2k1w n LEU 32 N 7.09 0.00 -4.84 0.60 -0.00 -1.17 -5.06 117.00 113.61 2k1w n LEU 32 Ca -0.03 -0.28 -0.34 0.00 -0.00 0.00 0.00 56.01 55.36 2k1w n LEU 32 Cb 0.46 0.75 -0.06 0.00 -0.00 0.00 0.00 43.42 44.57 2k1w n LEU 32 CO 0.61 -0.09 0.36 0.20 -0.00 0.00 0.00 177.39 178.46 2k1w s ASN 33 N -1.89 6.87 -1.08 1.45 -0.87 -1.26 0.11 114.94 118.28 2k1w s ASN 33 Ca 0.09 1.25 -0.21 0.00 -1.57 0.00 0.00 52.86 52.42 2k1w s ASN 33 Cb -0.01 -2.36 -0.08 0.00 -0.02 0.00 0.00 41.25 38.79 2k1w s ASN 33 CO 0.01 -0.04 1.94 0.47 -2.57 0.00 0.00 177.10 176.91 2k1w n ASP 34 N 0.31 3.24 -4.34 -1.22 8.00 -1.26 -4.08 116.55 117.19 2k1w n ASP 34 Ca -0.01 -2.74 -0.27 0.00 0.71 0.00 0.00 54.79 52.48 2k1w n ASP 34 Cb 0.52 -1.49 0.16 0.00 -0.02 0.00 0.00 41.12 40.29 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 5.16 1.04 -0.14 -1.24 3.01 -1.26 -4.42 119.74 121.88 2k1w s LYS 35 Ca 0.59 -0.71 -0.38 0.00 -1.01 0.00 0.00 55.97 54.46 2k1w s LYS 35 Cb 0.08 -2.04 -0.15 0.00 -1.01 0.00 0.00 37.83 34.70 2k1w s LYS 35 CO 0.09 -2.04 1.64 1.51 0.51 0.00 0.00 175.35 177.06 2k1w n ILE 36 N -3.40 0.24 -4.36 2.17 3.06 -1.26 -4.87 119.36 110.93 2k1w n ILE 36 Ca 0.15 -0.04 -0.22 0.00 -2.50 0.00 0.00 62.75 60.14 2k1w n ILE 36 Cb 0.60 -1.20 -0.11 0.00 0.54 0.00 0.00 39.64 39.47 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 2.64 2.88 -0.21 9.51 0.15 -1.26 -0.60 113.70 126.81 2k1w s SER 37 Ca 0.93 -0.90 -0.01 0.00 0.70 0.00 0.00 55.95 56.67 2k1w s SER 37 Cb -0.98 -0.18 0.02 0.00 -1.71 0.00 0.00 66.02 63.16 2k1w s SER 37 CO 0.58 -0.02 -0.12 -0.55 1.20 0.00 0.00 173.24 174.32 2k1w s SER 38 N -2.86 3.78 -0.22 5.45 0.15 -1.03 -4.40 113.70 114.58 2k1w s SER 38 Ca 0.19 -0.67 0.01 0.00 0.70 0.00 0.00 55.95 56.18 2k1w s SER 38 Cb -0.05 -1.60 0.03 0.00 -1.71 0.00 0.00 66.02 62.70 2k1w s SER 38 CO 0.08 -0.04 -0.14 -0.63 1.20 0.00 0.00 173.24 173.70 2k1w s ILE 39 N 1.34 2.27 -0.31 6.45 1.09 -0.92 -0.52 121.20 130.60 2k1w s ILE 39 Ca 0.03 -1.17 -0.02 0.00 -1.10 0.00 0.00 60.65 58.39 2k1w s ILE 39 Cb -0.15 -2.12 0.10 0.00 -1.06 0.00 0.00 42.46 39.24 2k1w s ILE 39 CO -0.08 0.29 0.12 -0.75 -0.10 0.00 0.00 174.94 174.43 2k1w s LYS 40 N 1.24 0.52 -0.00 2.79 2.20 -1.22 -1.12 119.74 124.15 2k1w s LYS 40 Ca -0.00 -0.92 -0.13 0.00 -0.36 0.00 0.00 55.97 54.56 2k1w s LYS 40 Cb -0.16 -1.64 0.02 0.00 -1.51 0.00 0.00 37.83 34.54 2k1w s LYS 40 CO -0.09 -1.02 0.27 0.08 -0.36 0.00 0.00 175.35 174.23 2k1w s VAL 41 N 1.72 0.07 -0.39 4.02 1.01 -1.25 -4.02 120.40 121.55 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 -0.61 0.14 0.00 0.00 0.00 0.00 36.38 35.74 2k1w s VAL 41 CO -0.27 -0.30 0.24 -0.75 0.00 0.00 0.00 175.10 174.01 2k1w s LYS 42 N -1.47 0.88 -0.30 2.72 2.20 -1.26 -1.60 119.74 120.90 2k1w s LYS 42 Ca -0.13 -1.67 -0.01 0.00 -0.36 0.00 0.00 55.97 53.79 2k1w s LYS 42 Cb -0.05 -1.72 0.19 0.00 -1.51 0.00 0.00 37.83 34.74 2k1w s LYS 42 CO 0.03 -1.21 0.79 0.45 -0.36 0.00 0.00 175.35 175.05 2k1w s SER 43 N 0.68 -1.11 1.04 1.43 0.15 -1.26 -4.89 113.70 109.75 2k1w s SER 43 Ca 0.19 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2k1w s SER 43 Cb -0.21 1.67 0.00 0.00 -1.71 0.00 0.00 66.02 65.78 2k1w s SER 43 CO -0.01 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2k1w n GLY 44 N 5.18 2.87 3.28 9.45 0.00 -1.24 -4.39 105.19 120.34 2k1w n GLY 44 Ca 0.07 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 1.66 -0.01 2.61 -4.23 -1.13 -2.74 115.64 111.79 2k1w s THR 45 Ca 0.00 -1.61 0.03 0.00 -1.18 0.00 0.00 61.69 58.92 2k1w s THR 45 Cb 0.00 -1.57 -0.01 0.00 1.34 0.00 0.00 72.50 72.26 2k1w s THR 45 CO 0.00 -0.15 -0.08 0.26 -0.54 0.00 0.00 174.62 174.10 2k1w s TRP 46 N -1.42 0.76 -0.43 3.99 0.51 -0.85 -0.03 118.94 121.47 2k1w s TRP 46 Ca 0.08 -0.15 -0.17 0.00 -2.12 0.00 0.00 56.10 53.74 2k1w s TRP 46 Cb -0.09 -0.49 0.02 0.00 -0.81 0.00 0.00 33.47 32.10 2k1w s TRP 46 CO 0.04 -0.02 0.45 1.03 -0.51 0.00 0.00 176.95 177.95 2k1w s ARG 47 N -0.17 3.10 -0.13 4.98 3.00 -0.83 -1.91 118.95 126.98 2k1w s ARG 47 Ca 0.03 -0.77 -0.11 0.00 0.00 0.00 0.00 55.73 54.89 2k1w s ARG 47 Cb -0.04 -3.98 -0.05 0.00 0.00 0.00 0.00 34.95 30.89 2k1w s ARG 47 CO -0.00 -0.88 0.22 -0.06 0.00 0.00 0.00 175.30 174.58 2k1w s PHE 48 N 2.16 3.53 -0.29 -0.53 0.08 0.11 -2.89 117.98 120.16 2k1w s PHE 48 Ca 0.12 0.57 -0.14 0.00 0.12 0.00 0.00 56.93 57.60 2k1w s PHE 48 Cb -0.17 -2.15 0.10 0.00 -0.57 0.00 0.00 43.02 40.23 2k1w s PHE 48 CO 0.14 0.48 0.68 1.52 -0.10 0.00 0.00 175.22 177.94 2k1w s TYR 49 N -0.29 -1.16 -1.26 0.36 -0.85 -1.03 -0.11 117.35 113.01 2k1w s TYR 49 Ca 0.15 2.19 -0.07 0.00 -0.52 0.00 0.00 57.07 58.81 2k1w s TYR 49 Cb -0.13 0.70 0.18 0.00 0.38 0.00 0.00 41.96 43.09 2k1w s TYR 49 CO 0.04 -0.58 1.98 0.39 -1.52 0.00 0.00 175.55 175.86 2k1w n GLU 50 N 4.75 4.08 -3.29 -3.49 1.02 -1.25 -1.43 120.64 121.03 2k1w n GLU 50 Ca -0.17 -3.67 0.03 0.00 -0.02 0.00 0.00 57.16 53.33 2k1w n GLU 50 Cb 0.55 -2.77 0.01 0.00 -0.02 0.00 0.00 31.44 29.21 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 2.78 -0.01 -0.69 -0.32 4.01 -0.61 -4.66 117.16 117.66 2k1w n TYR 51 Ca 0.45 -0.32 -0.31 0.00 -0.16 0.00 0.00 57.90 57.56 2k1w n TYR 51 Cb 0.32 0.13 0.17 0.00 -0.31 0.00 0.00 39.34 39.65 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 -0.63 0.05 -0.02 -0.72 3.06 -1.22 -4.37 119.36 115.51 2k1w n ILE 52 Ca 0.04 -0.01 0.09 0.00 -2.50 0.00 0.00 62.75 60.37 2k1w n ILE 52 Cb 0.36 -0.99 0.49 0.00 0.54 0.00 0.00 39.64 40.05 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 0.36 -4.27 9.51 -0.73 -1.97 -3.32 115.58 113.30 2k1w h ASN 53 Ca -0.43 -0.00 -0.64 0.00 1.87 0.00 0.00 56.30 57.10 2k1w h ASN 53 Cb 1.27 -0.08 -0.41 0.00 0.27 0.00 0.00 38.32 39.37 2k1w h ASN 53 CO 0.41 0.24 -0.64 -0.72 -0.37 0.00 0.00 177.43 176.34 2k1w s TYR 54 N -5.39 3.13 0.00 0.67 -0.85 -1.26 -4.81 117.35 108.85 2k1w s TYR 54 Ca -0.08 -3.11 0.00 0.00 -0.52 0.00 0.00 57.07 53.36 2k1w s TYR 54 Cb 0.19 -2.76 0.00 0.00 0.38 0.00 0.00 41.96 39.77 2k1w s TYR 54 CO 0.73 -0.76 0.00 0.41 -1.52 0.00 0.00 175.55 174.42 2k1w n GLY 55 N 3.22 0.44 3.27 5.49 0.00 -1.25 -5.17 105.19 111.19 2k1w n GLY 55 Ca 0.05 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 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 1.17 3.57 -0.02 0.00 -1.26 -4.18 105.19 104.47 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 -1.60 0.00 0.00 0.00 173.32 171.72 2k1w s ARG 57 N -2.11 3.38 -0.05 1.61 3.00 -1.26 -4.99 118.95 118.52 2k1w s ARG 57 Ca 0.15 0.11 -0.28 0.00 -1.00 0.00 0.00 55.73 54.70 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 -1.87 0.91 -0.47 0.00 0.00 0.00 175.30 173.98 2k1w s TYR 58 N 5.35 3.59 -0.29 5.12 5.04 -1.26 -3.91 117.35 130.99 2k1w s TYR 58 Ca 0.41 1.54 0.02 0.00 -2.44 0.00 0.00 57.07 56.61 2k1w s TYR 58 Cb -0.08 -3.05 0.17 0.00 0.35 0.00 0.00 41.96 39.35 2k1w s TYR 58 CO 0.22 -0.05 0.47 -0.46 -1.34 0.00 0.00 175.55 174.39 2k1w s TRP 59 N 1.25 -1.26 0.24 4.97 -0.00 0.85 -5.01 118.94 119.98 2k1w s TRP 59 Ca 0.47 0.70 0.05 0.00 -0.00 0.00 0.00 56.10 57.32 2k1w s TRP 59 Cb -0.19 0.05 -0.03 0.00 -0.00 0.00 0.00 33.47 33.29 2k1w s TRP 59 CO 0.23 -0.97 0.33 0.16 -0.00 0.00 0.00 176.95 176.69 2k1w s ASP 60 N 2.64 6.15 0.15 5.86 -4.77 -1.26 0.06 116.67 125.50 2k1w s ASP 60 Ca 0.11 -0.00 -0.20 0.00 -3.30 0.00 0.00 52.55 49.16 2k1w s ASP 60 Cb -0.12 -1.75 0.05 0.00 -1.09 0.00 0.00 42.92 40.01 2k1w s ASP 60 CO -0.27 -0.07 0.51 -1.48 0.70 0.00 0.00 175.17 174.56 2k1w s LEU 61 N -3.96 -0.12 0.00 2.11 2.34 -0.80 -4.93 118.68 113.32 2k1w s LEU 61 Ca 0.34 -0.16 0.00 0.00 0.06 0.00 0.00 54.13 54.37 2k1w s LEU 61 Cb -0.09 2.25 0.00 0.00 -0.56 0.00 0.00 46.19 47.79 2k1w s LEU 61 CO 0.28 -0.92 0.00 0.61 -1.06 0.00 0.00 176.35 175.26 2k1w n GLY 62 N -0.31 -0.33 3.55 -3.48 0.00 -1.26 -2.00 105.19 101.36 2k1w n GLY 62 Ca -0.16 -1.74 -0.39 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 -0.84 2.89 0.02 1.61 0.04 -1.11 -4.81 135.00 132.80 2k1w s PRO 63 Ca 0.00 0.18 -0.28 0.00 0.04 0.00 0.00 61.00 60.94 2k1w s PRO 63 Cb 0.00 -4.34 0.10 0.00 0.04 0.00 0.00 34.50 30.29 2k1w s PRO 63 CO 0.00 -2.49 0.86 0.20 0.04 0.00 0.00 177.00 175.61 2k1w s GLY 64 N 6.17 -0.47 0.05 0.56 0.00 -0.63 -4.85 107.32 108.14 2k1w s GLY 64 Ca 0.53 0.90 0.03 0.00 0.00 0.00 0.00 44.72 46.18 2k1w s GLY 64 CO 0.17 0.30 0.03 1.85 0.00 0.00 0.00 173.10 175.45 2k1w s GLU 65 N -3.20 2.78 0.16 2.90 -6.30 -1.26 -3.79 118.70 110.00 2k1w s GLU 65 Ca 0.05 -0.68 -0.23 0.00 -2.50 0.00 0.00 54.97 51.61 2k1w s GLU 65 Cb -0.01 -2.67 0.07 0.00 0.00 0.00 0.00 34.13 31.51 2k1w s GLU 65 CO -0.09 0.59 0.61 1.52 0.02 0.00 0.00 175.26 177.91 2k1w s TYR 66 N -1.25 -0.52 -0.47 5.30 1.13 -0.28 -5.00 117.35 116.27 2k1w s TYR 66 Ca 0.24 0.29 0.06 0.00 -1.41 0.00 0.00 57.07 56.26 2k1w s TYR 66 Cb -0.12 0.57 0.27 0.00 -1.10 0.00 0.00 41.96 41.58 2k1w s TYR 66 CO 0.16 -0.87 0.92 -1.13 -2.51 0.00 0.00 175.55 172.12 2k1w n SER 67 N -0.38 -2.33 -2.40 -0.18 3.41 -1.26 -2.16 113.62 108.32 2k1w n SER 67 Ca -0.16 -3.36 -0.05 0.00 -0.26 0.00 0.00 58.87 55.04 2k1w n SER 67 Cb 0.65 1.55 0.03 0.00 -0.26 0.00 0.00 64.21 66.18 2k1w n SER 67 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k1w n SER 68 N 1.20 -0.32 -0.80 4.04 7.64 -1.26 -4.97 113.62 119.16 2k1w n SER 68 Ca 0.10 -0.94 -0.02 0.00 1.01 0.00 0.00 58.87 59.02 2k1w n SER 68 Cb 0.64 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 2k1w n SER 68 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2k1w n VAL 69 N -2.45 0.00 0.00 0.44 3.14 -1.26 -4.41 118.33 113.78 2k1w n VAL 69 Ca 0.03 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2k1w n VAL 69 Cb 0.09 0.22 0.00 0.00 -1.06 0.00 0.00 33.84 33.09 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 -0.05 0.00 -0.46 1.45 0.28 -1.26 -4.96 120.64 115.65 2k1w n GLU 70 Ca -0.09 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 56.94 2k1w n GLU 70 Cb 0.43 0.00 0.21 0.00 1.43 0.00 0.00 31.44 33.51 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 3.40 0.00 -1.84 2.88 -1.26 -4.67 113.62 112.13 2k1w n SER 71 Ca 0.00 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 55.08 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 0.33 0.23 -3.39 -1.46 0.00 -1.26 -5.10 120.51 109.86 2k1w n ALA 72 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.60 2k1w n ALA 72 Cb 0.73 0.00 -0.04 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 -0.02 -0.66 0.00 0.00 -1.26 -5.08 107.32 100.08 2k1w s GLY 73 Ca 0.00 3.24 0.05 0.00 0.00 0.00 0.00 44.72 48.01 2k1w s GLY 73 CO 0.00 3.18 0.91 1.39 0.00 0.00 0.00 173.10 178.58 2k1w n ILE 74 N 4.64 2.97 -0.06 0.90 2.08 -1.26 -4.86 119.36 123.78 2k1w n ILE 74 Ca -0.10 -5.43 -0.04 0.00 0.56 0.00 0.00 62.75 57.74 2k1w n ILE 74 Cb 0.54 -1.83 -0.01 0.00 -0.75 0.00 0.00 39.64 37.59 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 3.83 0.00 -0.49 0.38 0.11 -1.98 -3.45 132.00 130.40 2k1w h PRO 75 Ca 0.19 0.00 0.24 0.00 0.11 0.00 0.00 66.00 66.54 2k1w h PRO 75 Cb 0.59 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.39 2k1w h PRO 75 CO 0.88 0.00 0.68 0.16 -0.21 0.00 0.00 178.00 179.51 2k1w s ASP 76 N -5.36 -0.01 -1.33 -2.05 -4.77 -1.26 -4.62 116.67 97.27 2k1w s ASP 76 Ca -0.12 0.01 -0.08 0.00 -3.30 0.00 0.00 52.55 49.06 2k1w s ASP 76 Cb 0.02 1.01 -0.09 0.00 -1.09 0.00 0.00 42.92 42.77 2k1w s ASP 76 CO 0.17 -0.00 2.71 -3.20 0.70 0.00 0.00 175.17 175.56 2k1w n ASN 77 N 3.80 7.38 -4.51 2.11 5.15 0.12 -4.44 115.26 124.86 2k1w n ASN 77 Ca -0.11 -2.48 -0.33 0.00 -0.60 0.00 0.00 54.58 51.05 2k1w n ASN 77 Cb 0.56 -1.40 -0.12 0.00 -0.53 0.00 0.00 39.78 38.29 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 4.26 -1.46 1.20 0.15 -1.24 -3.05 113.70 116.10 2k1w s SER 78 Ca 0.60 -0.13 -0.13 0.00 0.70 0.00 0.00 55.95 56.98 2k1w s SER 78 Cb 0.16 -0.99 0.10 0.00 -1.71 0.00 0.00 66.02 63.59 2k1w s SER 78 CO -0.05 0.35 0.67 -0.38 1.20 0.00 0.00 173.24 175.03 2k1w n ILE 79 N 2.31 -1.17 -2.87 6.45 5.41 -1.26 -3.66 119.36 124.56 2k1w n ILE 79 Ca -0.17 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.20 2k1w n ILE 79 Cb 0.52 -1.95 -0.06 0.00 -0.71 0.00 0.00 39.64 37.45 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 -2.99 7.32 -0.04 4.38 0.01 -1.26 -1.57 113.70 119.54 2k1w s SER 80 Ca 0.56 1.73 -0.29 0.00 1.31 0.00 0.00 55.95 59.26 2k1w s SER 80 Cb -0.30 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.46 2k1w s SER 80 CO 0.69 0.01 0.64 -0.44 0.41 0.00 0.00 173.24 174.55 2k1w s SER 81 N -1.53 -0.61 -0.17 2.44 0.01 -0.51 -4.28 113.70 109.06 2k1w s SER 81 Ca 0.46 0.62 -0.09 0.00 1.31 0.00 0.00 55.95 58.25 2k1w s SER 81 Cb -0.19 0.52 0.06 0.00 0.21 0.00 0.00 66.02 66.62 2k1w s SER 81 CO 0.24 -0.61 0.40 0.72 0.41 0.00 0.00 173.24 174.40 2k1w s PHE 82 N -1.34 -0.60 -0.20 2.43 -0.71 -1.26 -2.47 117.98 113.84 2k1w s PHE 82 Ca -0.11 1.27 -0.04 0.00 -1.04 0.00 0.00 56.93 57.01 2k1w s PHE 82 Cb -0.01 0.26 -0.02 0.00 -1.21 0.00 0.00 43.02 42.04 2k1w s PHE 82 CO 0.08 -0.34 -0.02 1.03 -1.34 0.00 0.00 175.22 174.63 2k1w s ARG 83 N 1.45 3.55 -0.01 1.99 1.81 -1.14 -4.16 118.95 122.44 2k1w s ARG 83 Ca -0.09 -0.56 -0.16 0.00 -1.72 0.00 0.00 55.73 53.20 2k1w s ARG 83 Cb -0.09 -3.01 -0.06 0.00 -0.45 0.00 0.00 34.95 31.34 2k1w s ARG 83 CO -0.13 0.00 0.46 -0.65 -0.68 0.00 0.00 175.30 174.30 2k1w s GLN 84 N 1.00 4.07 0.00 3.54 1.11 -1.26 -1.97 119.66 126.15 2k1w s GLN 84 Ca 0.01 0.50 0.14 0.00 0.01 0.00 0.00 55.36 56.01 2k1w s GLN 84 Cb -0.14 -3.27 0.11 0.00 -1.01 0.00 0.00 33.01 28.69 2k1w s GLN 84 CO 0.01 0.57 0.93 -0.89 0.01 0.00 0.00 175.29 175.92