#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k69 h LEU 8 N 0.00 0.00 -1.00 -0.35 5.85 -2.02 -3.11 115.31 114.68 3k69 h LEU 8 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3k69 h LEU 8 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3k69 h LEU 8 CO 0.00 0.00 0.27 0.44 -0.34 0.00 0.00 178.44 178.81 3k69 h ASP 9 N 0.00 0.90 0.05 1.25 3.32 -1.99 -1.10 116.42 118.84 3k69 h ASP 9 Ca 0.00 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 56.94 3k69 h ASP 9 Cb 0.30 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3k69 h ASP 9 CO 0.00 0.80 -0.10 0.15 -1.72 0.00 0.00 179.24 178.37 3k69 h PHE 10 N 0.96 -0.25 -0.96 4.55 3.57 -1.80 -1.55 116.94 121.46 3k69 h PHE 10 Ca 0.23 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.74 3k69 h PHE 10 Cb 0.19 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 3k69 h PHE 10 CO 0.01 -0.15 0.63 1.03 -2.23 0.00 0.00 178.31 177.60 3k69 h SER 11 N -0.19 1.11 -0.71 0.41 0.87 -1.67 0.34 113.55 113.70 3k69 h SER 11 Ca 0.02 -0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.61 3k69 h SER 11 Cb 0.22 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 61.84 3k69 h SER 11 CO -0.07 0.81 0.40 0.58 -0.53 0.00 0.00 176.83 178.03 3k69 h VAL 12 N 1.30 0.97 -0.09 2.23 2.07 -1.02 0.15 116.25 121.87 3k69 h VAL 12 Ca 0.35 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 3k69 h VAL 12 Cb -0.14 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.81 3k69 h VAL 12 CO -0.07 0.13 -0.05 0.00 0.02 0.00 0.00 177.57 177.60 3k69 h ALA 13 N 1.37 0.12 0.04 1.67 0.00 -0.58 -0.79 119.26 121.08 3k69 h ALA 13 Ca 0.32 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3k69 h ALA 13 Cb 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3k69 h ALA 13 CO -0.19 -0.10 -0.22 0.28 0.00 0.00 0.00 179.25 179.02 3k69 h VAL 14 N -0.19 0.49 -0.84 0.00 2.07 -0.78 -0.83 116.25 116.16 3k69 h VAL 14 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3k69 h VAL 14 Cb 0.51 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3k69 h VAL 14 CO 0.01 0.00 0.53 -0.74 0.02 0.00 0.00 177.57 177.39 3k69 h HIS 15 N -0.37 1.09 -0.24 1.57 2.76 -0.72 -1.05 115.15 118.19 3k69 h HIS 15 Ca 0.05 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 3k69 h HIS 15 Cb 0.43 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 3k69 h HIS 15 CO -0.25 0.72 0.01 0.77 -1.30 0.00 0.00 177.93 177.88 3k69 h SER 16 N 1.15 0.41 -0.56 3.26 0.02 -0.90 -0.16 113.55 116.77 3k69 h SER 16 Ca 0.30 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 3k69 h SER 16 Cb -0.08 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 3k69 h SER 16 CO -0.06 0.61 0.31 0.40 -1.14 0.00 0.00 176.83 176.94 3k69 h ILE 17 N 0.20 0.99 -0.74 3.27 2.04 -0.99 0.17 117.51 122.44 3k69 h ILE 17 Ca 0.07 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3k69 h ILE 17 Cb 0.39 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3k69 h ILE 17 CO 0.01 0.11 0.32 -0.07 0.00 0.00 0.00 178.15 178.52 3k69 h LEU 18 N 0.59 1.00 -0.17 1.44 3.38 -0.96 -0.64 115.31 119.95 3k69 h LEU 18 Ca 0.24 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3k69 h LEU 18 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3k69 h LEU 18 CO -0.15 0.87 0.02 0.22 0.09 0.00 0.00 178.44 179.49 3k69 h TYR 19 N 1.07 0.31 -0.43 1.13 3.20 -0.55 -2.52 116.97 119.17 3k69 h TYR 19 Ca 0.25 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 3k69 h TYR 19 Cb 0.17 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3k69 h TYR 19 CO 0.02 0.46 0.13 -0.07 -1.64 0.00 0.00 178.16 177.06 3k69 h LEU 20 N 0.06 0.57 -1.86 2.82 3.38 -0.81 -1.37 115.31 118.09 3k69 h LEU 20 Ca 0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3k69 h LEU 20 Cb 0.33 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3k69 h LEU 20 CO 0.00 0.55 -0.09 -0.78 0.09 0.00 0.00 178.44 178.21 3k69 h ASP 21 N 0.62 0.00 0.64 -0.43 3.58 -0.86 -1.83 116.42 118.13 3k69 h ASP 21 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 3k69 h ASP 21 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 3k69 h ASP 21 CO -0.01 0.09 -0.12 0.00 -2.88 0.00 0.00 179.24 176.32 3k69 n ALA 22 N -2.49 2.71 -2.66 -0.78 0.00 -0.53 -4.13 120.51 112.62 3k69 n ALA 22 Ca -0.03 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 3k69 n ALA 22 Cb 0.17 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.28 3k69 n ALA 22 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3k69 n HIS 23 N -1.29 1.29 0.31 0.00 8.25 -0.70 -4.91 115.22 118.17 3k69 n HIS 23 Ca 0.10 -2.74 0.17 0.00 -0.26 0.00 0.00 57.72 54.99 3k69 n HIS 23 Cb 0.30 -0.35 0.72 0.00 1.12 0.00 0.00 29.99 31.78 3k69 n HIS 23 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k69 h ARG 24 N 2.94 0.00 0.00 -0.41 3.08 -1.68 -2.10 114.38 116.21 3k69 h ARG 24 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3k69 h ARG 24 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3k69 h ARG 24 CO 0.49 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 178.99 3k69 n ASP 25 N -2.88 0.00 -4.00 7.04 5.75 -1.26 -4.84 116.55 116.36 3k69 n ASP 25 Ca 0.00 -1.44 -0.12 0.00 -0.01 0.00 0.00 54.79 53.22 3k69 n ASP 25 Cb 0.24 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.21 3k69 n ASP 25 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3k69 s SER 26 N -1.47 0.52 -0.04 -1.12 0.01 -0.79 -5.12 113.70 105.69 3k69 s SER 26 Ca 0.18 -0.41 -0.21 0.00 1.31 0.00 0.00 55.95 56.82 3k69 s SER 26 Cb 0.08 0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.31 3k69 s SER 26 CO 0.14 -0.18 0.59 -0.54 0.41 0.00 0.00 173.24 173.66 3k69 s LYS 27 N -1.18 4.34 -0.22 12.44 1.02 -1.26 -4.61 119.74 130.26 3k69 s LYS 27 Ca -0.09 0.70 0.01 0.00 0.02 0.00 0.00 55.97 56.61 3k69 s LYS 27 Cb -0.08 -3.38 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 3k69 s LYS 27 CO -0.00 0.27 -0.14 0.08 -0.92 0.00 0.00 175.35 174.64 3k69 s VAL 28 N 0.15 2.26 0.78 3.17 1.01 -0.10 -4.83 120.40 122.83 3k69 s VAL 28 Ca 0.31 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 3k69 s VAL 28 Cb -0.17 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.15 3k69 s VAL 28 CO 0.16 0.29 1.08 0.00 0.00 0.00 0.00 175.10 176.63 3k69 s ALA 29 N 1.23 2.27 0.30 5.51 0.00 -1.26 -1.09 121.76 128.73 3k69 s ALA 29 Ca -0.01 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 51.97 3k69 s ALA 29 Cb -0.16 -3.16 0.70 0.00 0.00 0.00 0.00 23.12 20.50 3k69 s ALA 29 CO -0.09 -1.68 1.80 0.77 0.00 0.00 0.00 175.76 176.56 3k69 h SER 30 N -1.06 0.81 -0.79 0.00 0.02 -1.99 -2.14 113.55 108.41 3k69 h SER 30 Ca -0.46 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 3k69 h SER 30 Cb 1.25 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 3k69 h SER 30 CO 0.57 0.34 0.38 0.03 -1.14 0.00 0.00 176.83 177.00 3k69 h ARG 31 N 0.82 1.15 -0.18 3.45 3.08 -1.96 0.16 114.38 120.89 3k69 h ARG 31 Ca 0.55 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 60.37 3k69 h ARG 31 Cb 0.78 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3k69 h ARG 31 CO -0.34 0.89 -0.14 1.49 -1.07 0.00 0.00 179.97 180.80 3k69 h GLU 32 N 1.14 0.41 -0.56 0.04 4.81 -1.77 -1.90 114.58 116.75 3k69 h GLU 32 Ca 0.27 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3k69 h GLU 32 Cb 0.12 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3k69 h GLU 32 CO -0.03 0.76 0.37 -0.07 -0.73 0.00 0.00 179.01 179.30 3k69 h LEU 33 N 0.08 0.64 -0.49 1.64 3.38 -1.32 -2.79 115.31 116.45 3k69 h LEU 33 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k69 h LEU 33 Cb 0.66 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3k69 h LEU 33 CO 0.04 0.46 0.29 0.00 0.09 0.00 0.00 178.44 179.32 3k69 h ALA 34 N 1.21 0.62 -0.66 1.53 0.00 -0.60 0.29 119.26 121.65 3k69 h ALA 34 Ca 0.21 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.17 3k69 h ALA 34 Cb -0.08 -0.20 -0.12 0.00 0.00 0.00 0.00 17.79 17.39 3k69 h ALA 34 CO -0.05 0.12 -0.30 1.96 0.00 0.00 0.00 179.25 180.98 3k69 h GLN 35 N 0.65 -0.10 -0.75 0.00 4.20 -1.22 -0.08 115.11 117.81 3k69 h GLN 35 Ca 0.17 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 3k69 h GLN 35 Cb 0.01 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 3k69 h GLN 35 CO -0.03 -0.07 0.23 1.03 -0.67 0.00 0.00 178.83 179.32 3k69 h SER 36 N -0.11 1.10 0.85 1.46 0.87 -1.10 -2.90 113.55 113.73 3k69 h SER 36 Ca 0.27 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3k69 h SER 36 Cb 0.55 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 3k69 h SER 36 CO -0.73 1.02 0.00 0.18 -0.53 0.00 0.00 176.83 176.77 3k69 n LEU 37 N -4.25 0.00 -3.57 2.23 4.32 0.02 -4.92 117.00 110.83 3k69 n LEU 37 Ca 0.06 0.45 -0.20 0.00 -0.02 0.00 0.00 56.01 56.30 3k69 n LEU 37 Cb 0.23 -0.45 0.05 0.00 -1.62 0.00 0.00 43.42 41.64 3k69 n LEU 37 CO 0.42 -0.02 -0.01 1.41 -1.22 0.00 0.00 177.39 177.97 3k69 n HIS 38 N -1.45 -2.05 -4.09 -1.77 8.25 -0.10 -5.03 115.22 108.98 3k69 n HIS 38 Ca 0.08 0.84 -0.09 0.00 -0.26 0.00 0.00 57.72 58.29 3k69 n HIS 38 Cb 0.30 -4.47 -0.10 0.00 1.12 0.00 0.00 29.99 26.84 3k69 n HIS 38 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3k69 s LEU 39 N -6.42 2.43 0.32 2.41 1.43 -0.99 -5.06 118.68 112.80 3k69 s LEU 39 Ca 0.09 -0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 52.03 3k69 s LEU 39 Cb -0.02 0.08 -0.10 0.00 0.03 0.00 0.00 46.19 46.17 3k69 s LEU 39 CO 0.79 -0.48 1.41 0.21 0.23 0.00 0.00 176.35 178.50 3k69 s ASN 40 N -2.57 6.61 0.33 2.29 3.84 -1.26 -4.36 114.94 119.82 3k69 s ASN 40 Ca 0.03 2.78 0.05 0.00 0.21 0.00 0.00 52.86 55.93 3k69 s ASN 40 Cb 0.02 -2.65 0.69 0.00 -0.55 0.00 0.00 41.25 38.77 3k69 s ASN 40 CO -0.06 -0.69 1.89 -0.65 -2.79 0.00 0.00 177.10 174.80 3k69 h PRO 41 N 3.86 0.81 -1.65 0.43 0.11 -1.93 -3.26 132.00 130.38 3k69 h PRO 41 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3k69 h PRO 41 Cb 1.23 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3k69 h PRO 41 CO 0.70 0.54 0.00 1.55 -0.21 0.00 0.00 178.00 180.57 3k69 n VAL 42 N -4.54 0.00 0.00 3.15 3.14 -1.26 -1.66 118.33 117.16 3k69 n VAL 42 Ca 0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 3k69 n VAL 42 Cb 0.35 -0.34 0.00 0.00 -1.06 0.00 0.00 33.84 32.79 3k69 n VAL 42 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 3k69 n ILE 44 N 0.88 0.00 -0.27 1.55 -5.35 -1.23 -4.57 119.36 110.37 3k69 n ILE 44 Ca 0.00 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.45 3k69 n ILE 44 Cb 0.00 0.00 0.08 0.00 -1.74 0.00 0.00 39.64 37.98 3k69 n ILE 44 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3k69 h ARG 45 N 0.00 0.93 -0.31 6.28 2.43 -1.64 -1.51 114.38 120.56 3k69 h ARG 45 Ca 0.00 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3k69 h ARG 45 Cb 0.00 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 3k69 h ARG 45 CO 0.00 0.62 0.09 -0.97 -1.51 0.00 0.00 179.97 178.19 3k69 h ASN 46 N 0.96 0.47 -0.59 -3.80 -1.24 -1.87 -1.94 115.58 107.58 3k69 h ASN 46 Ca 0.29 -0.22 -0.08 0.00 0.71 0.00 0.00 56.30 57.01 3k69 h ASN 46 Cb -0.03 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 3k69 h ASN 46 CO -0.09 0.57 0.07 0.40 -1.29 0.00 0.00 177.43 177.08 3k69 h ILE 47 N 0.35 1.26 -0.70 2.57 1.08 -1.88 -0.63 117.51 119.57 3k69 h ILE 47 Ca 0.10 -1.03 -0.03 0.00 -0.39 0.00 0.00 64.86 63.51 3k69 h ILE 47 Cb 0.27 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 3k69 h ILE 47 CO -0.00 0.38 0.32 -0.07 -0.69 0.00 0.00 178.15 178.09 3k69 h LEU 48 N 0.89 0.91 -0.25 1.44 3.38 -1.23 -0.10 115.31 120.35 3k69 h LEU 48 Ca 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3k69 h LEU 48 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3k69 h LEU 48 CO 0.02 0.78 0.06 -1.28 0.09 0.00 0.00 178.44 178.11 3k69 h SER 49 N 1.00 0.38 -0.79 -0.43 0.87 -1.06 -0.83 113.55 112.68 3k69 h SER 49 Ca 0.24 -0.24 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 3k69 h SER 49 Cb 0.13 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 3k69 h SER 49 CO -0.03 0.52 0.51 0.58 -0.53 0.00 0.00 176.83 177.88 3k69 h VAL 50 N 0.23 1.17 -0.29 2.23 2.07 -0.69 0.12 116.25 121.08 3k69 h VAL 50 Ca 0.08 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 3k69 h VAL 50 Cb 0.29 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3k69 h VAL 50 CO 0.00 0.19 -0.02 -0.07 0.02 0.00 0.00 177.57 177.69 3k69 h LEU 51 N 1.03 0.51 -0.02 2.57 3.38 -0.87 -2.42 115.31 119.49 3k69 h LEU 51 Ca 0.30 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3k69 h LEU 51 Cb -0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3k69 h LEU 51 CO -0.08 0.72 -0.21 -0.74 0.09 0.00 0.00 178.44 178.22 3k69 h HIS 52 N 0.30 -0.55 -0.13 1.13 2.76 -0.88 -1.10 115.15 116.69 3k69 h HIS 52 Ca 0.08 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.31 3k69 h HIS 52 Cb 0.47 0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 3k69 h HIS 52 CO 0.04 -0.29 0.11 0.87 -1.30 0.00 0.00 177.93 177.36 3k69 h LYS 53 N -0.32 0.00 -0.68 5.26 1.57 -0.68 -2.34 116.57 119.39 3k69 h LYS 53 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3k69 h LYS 53 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3k69 h LYS 53 CO -0.21 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.39 3k69 n HIS 54 N -4.17 1.09 -0.46 -1.35 8.25 -0.92 -4.97 115.22 112.69 3k69 n HIS 54 Ca 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 3k69 n HIS 54 Cb 0.23 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3k69 n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k69 n GLY 55 N 1.38 0.76 0.17 -1.41 0.00 -0.88 -4.95 105.19 100.26 3k69 n GLY 55 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 3k69 n GLY 55 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3k69 h TYR 56 N 0.00 0.46 -3.87 1.61 -1.99 -1.42 -3.46 116.97 108.30 3k69 h TYR 56 Ca 0.00 -0.20 -0.20 0.00 2.00 0.00 0.00 58.73 60.33 3k69 h TYR 56 Cb 0.00 -0.08 -0.24 0.00 2.00 0.00 0.00 36.73 38.41 3k69 h TYR 56 CO 0.00 0.92 -0.71 -0.51 -0.00 0.00 0.00 178.16 177.86 3k69 s LEU 57 N -7.95 2.13 0.50 3.88 1.43 -1.25 -4.70 118.68 112.72 3k69 s LEU 57 Ca -0.05 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 52.70 3k69 s LEU 57 Cb 0.11 0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.32 3k69 s LEU 57 CO 0.82 -0.15 0.85 0.42 0.23 0.00 0.00 176.35 178.52 3k69 s THR 58 N -0.77 4.82 -0.46 5.49 -4.23 0.02 -4.45 115.64 116.06 3k69 s THR 58 Ca -0.08 0.48 0.06 0.00 -1.18 0.00 0.00 61.69 60.97 3k69 s THR 58 Cb -0.05 -3.84 0.22 0.00 1.34 0.00 0.00 72.50 70.17 3k69 s THR 58 CO -0.00 -0.85 0.66 0.61 -0.54 0.00 0.00 174.62 174.49 3k69 n GLY 59 N -2.16 0.88 3.73 3.99 0.00 -1.26 -1.77 105.19 108.59 3k69 n GLY 59 Ca 0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 3k69 n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k69 s THR 60 N 0.21 3.14 -0.04 2.61 2.01 -1.05 -4.86 115.64 117.66 3k69 s THR 60 Ca 0.32 0.90 -0.12 0.00 0.31 0.00 0.00 61.69 63.11 3k69 s THR 60 Cb 0.12 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 3k69 s THR 60 CO -0.16 0.12 0.30 -0.69 -0.69 0.00 0.00 174.62 173.50 3k69 s VAL 61 N 0.39 5.22 -0.76 3.82 1.01 -1.26 0.22 120.40 129.04 3k69 s VAL 61 Ca 0.60 0.58 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3k69 s VAL 61 Cb -0.38 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3k69 s VAL 61 CO 0.37 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.66 3k69 n GLY 62 N 1.86 0.56 3.71 4.51 0.00 -1.26 -4.73 105.19 109.83 3k69 n GLY 62 Ca -0.16 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.26 3k69 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k69 s LYS 63 N -0.30 4.13 -0.74 1.61 2.20 -1.26 -0.81 119.74 124.56 3k69 s LYS 63 Ca 0.00 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.22 3k69 s LYS 63 Cb 0.00 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 3k69 s LYS 63 CO 0.00 -0.80 0.00 0.09 -0.36 0.00 0.00 175.35 174.28 3k69 n ASN 64 N 4.76 -5.23 -2.74 1.43 3.02 -1.26 -4.98 115.26 110.25 3k69 n ASN 64 Ca 0.17 0.17 -0.10 0.00 -0.03 0.00 0.00 54.58 54.79 3k69 n ASN 64 Cb 0.36 -3.65 0.08 0.00 -0.61 0.00 0.00 39.78 35.96 3k69 n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k69 n GLY 65 N 0.43 -1.94 0.00 7.41 0.00 0.01 -4.82 105.19 106.29 3k69 n GLY 65 Ca -0.07 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3k69 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k69 n GLY 66 N 1.07 0.64 3.83 -0.02 0.00 0.13 -4.24 105.19 106.60 3k69 n GLY 66 Ca 0.05 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 3k69 n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k69 s TYR 67 N -1.33 3.49 -0.07 1.61 2.02 -0.25 -2.52 117.35 120.31 3k69 s TYR 67 Ca 0.00 1.29 -0.09 0.00 -0.37 0.00 0.00 57.07 57.89 3k69 s TYR 67 Cb 0.00 -2.57 0.02 0.00 -0.40 0.00 0.00 41.96 39.01 3k69 s TYR 67 CO 0.00 0.19 0.24 -1.14 -1.57 0.00 0.00 175.55 173.28 3k69 s GLN 68 N -2.56 0.38 -0.19 -0.62 0.74 -0.73 -0.92 119.66 115.76 3k69 s GLN 68 Ca 0.50 0.14 -0.06 0.00 0.05 0.00 0.00 55.36 55.99 3k69 s GLN 68 Cb -0.13 0.18 -0.03 0.00 1.10 0.00 0.00 33.01 34.13 3k69 s GLN 68 CO 0.19 -0.07 0.02 -1.17 -0.55 0.00 0.00 175.29 173.71 3k69 s LEU 69 N -0.34 3.48 -0.03 3.68 2.96 -1.26 -0.80 118.68 126.36 3k69 s LEU 69 Ca -0.05 -0.08 0.05 0.00 -0.22 0.00 0.00 54.13 53.83 3k69 s LEU 69 Cb -0.03 -1.88 0.08 0.00 0.50 0.00 0.00 46.19 44.85 3k69 s LEU 69 CO 0.01 0.11 0.94 -0.90 -1.32 0.00 0.00 176.35 175.20 3k69 n ASP 70 N 3.92 0.84 -4.72 3.68 5.68 -1.26 -4.78 116.55 119.91 3k69 n ASP 70 Ca -0.17 -2.09 -0.24 0.00 -0.50 0.00 0.00 54.79 51.79 3k69 n ASP 70 Cb 0.52 -0.20 -0.07 0.00 -1.14 0.00 0.00 41.12 40.23 3k69 n ASP 70 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3k69 s LEU 71 N -0.86 3.11 -0.02 -2.12 1.43 -1.26 -5.12 118.68 113.83 3k69 s LEU 71 Ca 0.08 -1.03 -0.19 0.00 -1.03 0.00 0.00 54.13 51.96 3k69 s LEU 71 Cb 0.07 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 3k69 s LEU 71 CO 0.01 -0.46 0.54 0.00 0.23 0.00 0.00 176.35 176.67 3k69 s ALA 72 N -2.57 3.52 0.45 4.21 0.00 -1.26 -4.97 121.76 121.14 3k69 s ALA 72 Ca 0.40 -0.05 0.16 0.00 0.00 0.00 0.00 51.96 52.47 3k69 s ALA 72 Cb 0.03 -2.67 1.09 0.00 0.00 0.00 0.00 23.12 21.57 3k69 s ALA 72 CO 0.22 0.19 1.96 -0.07 0.00 0.00 0.00 175.76 178.07 3k69 h LEU 73 N 5.65 0.32 -2.31 0.00 3.38 -2.00 -1.21 115.31 119.15 3k69 h LEU 73 Ca -0.46 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3k69 h LEU 73 Cb 1.20 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3k69 h LEU 73 CO 0.69 0.18 -0.04 0.00 0.09 0.00 0.00 178.44 179.36 3k69 h ALA 74 N 1.69 1.16 -1.53 1.53 0.00 -1.95 -3.08 119.26 117.07 3k69 h ALA 74 Ca 0.30 -0.03 -0.78 0.00 0.00 0.00 0.00 54.91 54.39 3k69 h ALA 74 Cb 0.70 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.27 3k69 h ALA 74 CO -0.08 0.05 1.32 -0.25 0.00 0.00 0.00 179.25 180.29 3k69 n ASP 75 N -3.36 5.71 -3.68 0.00 8.00 -0.46 -4.86 116.55 117.90 3k69 n ASP 75 Ca -0.02 -3.22 -0.10 0.00 0.71 0.00 0.00 54.79 52.16 3k69 n ASP 75 Cb 0.17 -1.39 -0.10 0.00 -0.02 0.00 0.00 41.12 39.77 3k69 n ASP 75 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3k69 s ASN 77 N -0.08 -0.52 0.32 -2.24 3.84 -1.26 -5.04 114.94 109.97 3k69 s ASN 77 Ca 0.35 0.96 0.04 0.00 0.21 0.00 0.00 52.86 54.43 3k69 s ASN 77 Cb 0.05 0.92 0.54 0.00 -0.55 0.00 0.00 41.25 42.21 3k69 s ASN 77 CO 0.04 -0.20 1.83 0.25 -2.79 0.00 0.00 177.10 176.23 3k69 h LEU 78 N 7.27 0.50 -0.33 3.21 5.85 -1.09 -1.12 115.31 129.60 3k69 h LEU 78 Ca -0.33 -0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.14 3k69 h LEU 78 Cb 1.18 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 3k69 h LEU 78 CO 0.26 0.61 -0.33 1.23 -0.34 0.00 0.00 178.44 179.87 3k69 h GLY 79 N 0.89 0.87 0.41 3.75 0.00 -1.68 -0.05 103.07 107.26 3k69 h GLY 79 Ca 0.10 -0.90 0.07 0.00 0.00 0.00 0.00 47.33 46.60 3k69 h GLY 79 CO 0.02 0.81 0.06 -0.55 0.00 0.00 0.00 176.54 176.88 3k69 h ASP 80 N 0.58 -0.05 -0.39 0.19 3.32 -1.82 -0.23 116.42 118.02 3k69 h ASP 80 Ca 0.05 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3k69 h ASP 80 Cb 0.91 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 3k69 h ASP 80 CO 0.08 0.01 0.22 0.25 -1.72 0.00 0.00 179.24 178.08 3k69 h LEU 81 N 0.18 0.48 -0.31 1.55 5.85 -1.00 -1.53 115.31 120.52 3k69 h LEU 81 Ca 0.21 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3k69 h LEU 81 Cb 0.28 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3k69 h LEU 81 CO -0.30 0.42 0.15 0.22 -0.34 0.00 0.00 178.44 178.58 3k69 h TYR 82 N 0.50 0.27 -0.43 1.25 5.03 -0.81 -0.70 116.97 122.08 3k69 h TYR 82 Ca 0.14 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.39 3k69 h TYR 82 Cb 0.04 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.22 3k69 h TYR 82 CO -0.03 0.14 -0.03 -0.44 -1.32 0.00 0.00 178.16 176.48 3k69 h ASP 83 N 0.31 0.69 -0.14 -2.11 3.32 -0.87 0.20 116.42 117.81 3k69 h ASP 83 Ca 0.13 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3k69 h ASP 83 Cb 0.06 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3k69 h ASP 83 CO -0.10 0.77 -0.06 0.25 -1.72 0.00 0.00 179.24 178.38 3k69 h LEU 84 N 0.67 0.30 0.00 1.55 5.85 -0.90 -3.08 115.31 119.70 3k69 h LEU 84 Ca 0.13 -0.40 -0.14 0.00 0.84 0.00 0.00 57.88 58.31 3k69 h LEU 84 Cb 0.46 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3k69 h LEU 84 CO 0.02 0.64 -0.70 0.71 -0.34 0.00 0.00 178.44 178.77 3k69 h THR 85 N -0.03 1.12 -2.65 1.05 1.35 -0.93 -3.37 112.91 109.45 3k69 h THR 85 Ca 0.03 -2.59 -0.60 0.00 -0.55 0.00 0.00 66.41 62.70 3k69 h THR 85 Cb 0.52 2.55 -0.40 0.00 -1.73 0.00 0.00 68.15 69.08 3k69 h THR 85 CO 0.02 0.64 -0.76 -0.38 -0.25 0.00 0.00 175.52 174.78 3k69 n ILE 86 N -3.25 0.48 -1.89 6.82 5.41 0.68 -4.64 119.36 122.97 3k69 n ILE 86 Ca 0.01 -4.31 -0.37 0.00 1.00 0.00 0.00 62.75 59.08 3k69 n ILE 86 Cb 0.81 -1.96 0.04 0.00 -0.71 0.00 0.00 39.64 37.81 3k69 n ILE 86 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3k69 s PRO 87 N -0.98 3.01 0.26 0.38 0.02 -1.17 -4.51 135.00 132.01 3k69 s PRO 87 Ca 0.30 2.03 -0.31 0.00 0.02 0.00 0.00 61.00 63.04 3k69 s PRO 87 Cb 0.02 -2.08 -0.13 0.00 0.02 0.00 0.00 34.50 32.34 3k69 s PRO 87 CO -0.16 -1.23 1.44 -2.30 -0.33 0.00 0.00 177.00 174.42 3k69 n PRO 88 N -1.35 2.20 -2.04 5.54 -0.02 -1.26 -4.97 135.00 133.10 3k69 n PRO 88 Ca 0.12 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.97 3k69 n PRO 88 Cb 0.47 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 3k69 n PRO 88 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3k69 s THR 89 N -0.15 2.83 -0.21 3.45 2.01 -1.26 -4.97 115.64 117.34 3k69 s THR 89 Ca 0.66 0.64 -0.16 0.00 0.31 0.00 0.00 61.69 63.14 3k69 s THR 89 Cb -0.61 -3.41 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 3k69 s THR 89 CO 0.51 0.08 -0.27 -0.38 -0.69 0.00 0.00 174.62 173.86 3k69 n ILE 90 N 3.16 1.50 -2.84 1.82 -0.00 -1.26 -4.93 119.36 116.81 3k69 n ILE 90 Ca 0.10 -0.05 -0.42 0.00 -0.00 0.00 0.00 62.75 62.38 3k69 n ILE 90 Cb 0.40 -2.16 -0.04 0.00 -0.00 0.00 0.00 39.64 37.84 3k69 n ILE 90 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 3k69 s SER 91 N -6.53 6.97 -0.13 4.38 0.15 -1.26 -4.93 113.70 112.34 3k69 s SER 91 Ca -0.30 1.19 0.17 0.00 0.70 0.00 0.00 55.95 57.71 3k69 s SER 91 Cb 0.08 -2.47 0.68 0.00 -1.71 0.00 0.00 66.02 62.60 3k69 s SER 91 CO 0.44 -0.48 1.60 -1.22 1.20 0.00 0.00 173.24 174.78 3k69 n TYR 92 N 5.62 1.44 -0.34 3.44 4.01 -1.26 -4.73 117.16 125.34 3k69 n TYR 92 Ca 0.06 -0.66 0.16 0.00 -0.16 0.00 0.00 57.90 57.31 3k69 n TYR 92 Cb 0.48 -0.28 0.38 0.00 -0.31 0.00 0.00 39.34 39.61 3k69 n TYR 92 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k69 h ALA 93 N 3.63 1.84 0.00 -0.72 0.00 -1.92 0.81 119.26 122.91 3k69 h ALA 93 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3k69 h ALA 93 Cb 1.49 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 3k69 h ALA 93 CO 0.26 -0.24 -0.03 0.07 0.00 0.00 0.00 179.25 179.31 3k69 h ARG 94 N 0.63 0.00 -0.41 0.00 -0.00 -2.04 -2.37 114.38 110.19 3k69 h ARG 94 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.57 3k69 h ARG 94 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.07 3k69 h ARG 94 CO -0.37 0.03 0.00 1.19 -0.00 0.00 0.00 179.97 180.81 3k69 n PHE 95 N -3.33 0.54 -5.28 4.08 3.72 0.27 -4.97 117.46 112.48 3k69 n PHE 95 Ca -0.02 -0.33 -0.31 0.00 -0.05 0.00 0.00 57.45 56.74 3k69 n PHE 95 Cb 0.15 -0.01 -0.16 0.00 -0.94 0.00 0.00 39.48 38.52 3k69 n PHE 95 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3k69 s ILE 96 N -1.22 2.05 0.70 4.37 1.01 -0.89 -5.13 121.20 122.09 3k69 s ILE 96 Ca 0.35 -1.08 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 3k69 s ILE 96 Cb 0.20 -1.73 0.15 0.00 0.01 0.00 0.00 42.46 41.09 3k69 s ILE 96 CO 0.27 0.57 0.96 0.35 0.00 0.00 0.00 174.94 177.09 3k69 n THR 97 N 2.78 0.00 -3.13 2.92 -2.24 -1.26 -4.94 114.28 108.42 3k69 n THR 97 Ca -0.17 -1.26 0.00 0.00 -2.27 0.00 0.00 64.05 60.36 3k69 n THR 97 Cb 0.52 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 3k69 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k69 n GLY 98 N -2.01 -1.60 3.88 3.38 0.00 -1.26 -4.71 105.19 102.86 3k69 n GLY 98 Ca 0.15 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 3k69 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k69 s PRO 99 N 0.00 1.52 0.51 1.61 0.04 -1.26 -5.13 135.00 132.29 3k69 s PRO 99 Ca 0.00 0.03 0.06 0.00 0.04 0.00 0.00 61.00 61.13 3k69 s PRO 99 Cb 0.00 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.65 3k69 s PRO 99 CO 0.00 -1.89 0.37 -1.54 0.04 0.00 0.00 177.00 173.98 3k69 s SER 100 N -4.55 4.66 -0.53 6.66 1.04 -1.26 -4.93 113.70 114.78 3k69 s SER 100 Ca 0.65 -1.16 -0.28 0.00 0.48 0.00 0.00 55.95 55.63 3k69 s SER 100 Cb -0.10 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.22 3k69 s SER 100 CO 0.51 -0.98 1.28 -1.59 0.98 0.00 0.00 173.24 173.44 3k69 s LYS 101 N -4.21 3.50 0.00 4.02 0.00 -1.26 -5.18 119.74 116.60 3k69 s LYS 101 Ca 0.37 0.46 0.00 0.00 0.00 0.00 0.00 55.97 56.79 3k69 s LYS 101 Cb -0.02 -4.03 0.00 0.00 0.00 0.00 0.00 37.83 33.79 3k69 s LYS 101 CO 0.22 -1.69 0.00 0.00 0.00 0.00 0.00 175.35 173.88 3k69 n ALA 106 N 8.71 0.00 -1.22 0.59 0.00 -1.26 -5.32 120.51 122.02 3k69 n ALA 106 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.58 3k69 n ALA 106 Cb 0.49 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.16 3k69 n ALA 106 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k69 n ASP 107 N 0.00 3.08 -4.74 0.00 5.68 -1.26 -5.00 116.55 114.31 3k69 n ASP 107 Ca 0.00 -3.38 -0.41 0.00 -0.50 0.00 0.00 54.79 50.49 3k69 n ASP 107 Cb 0.00 -0.58 -0.02 0.00 -1.14 0.00 0.00 41.12 39.38 3k69 n ASP 107 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3k69 s GLN 108 N -3.03 4.20 0.75 0.11 -1.52 -1.26 -5.00 119.66 113.91 3k69 s GLN 108 Ca 0.42 2.42 -0.15 0.00 -1.95 0.00 0.00 55.36 56.11 3k69 s GLN 108 Cb 0.37 -3.08 0.05 0.00 -0.22 0.00 0.00 33.01 30.13 3k69 s GLN 108 CO 0.04 -0.53 1.21 -1.54 -0.25 0.00 0.00 175.29 174.22 3k69 s SER 109 N 0.50 4.04 0.31 5.90 1.04 -1.26 -4.68 113.70 119.54 3k69 s SER 109 Ca 0.62 2.37 0.04 0.00 0.48 0.00 0.00 55.95 59.46 3k69 s SER 109 Cb -0.44 -2.59 0.82 0.00 0.10 0.00 0.00 66.02 63.90 3k69 s SER 109 CO 0.44 -2.37 1.58 -0.65 0.98 0.00 0.00 173.24 173.22 3k69 h PRO 110 N -0.45 0.02 0.24 4.02 0.11 -1.98 0.97 132.00 134.93 3k69 h PRO 110 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3k69 h PRO 110 Cb 1.30 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3k69 h PRO 110 CO 0.49 0.01 -0.12 0.82 -0.21 0.00 0.00 178.00 179.00 3k69 h ILE 111 N 0.02 0.66 -0.78 4.15 2.04 -1.98 -3.02 117.51 118.61 3k69 h ILE 111 Ca 0.62 -0.91 0.11 0.00 1.00 0.00 0.00 64.86 65.68 3k69 h ILE 111 Cb 1.34 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 3k69 h ILE 111 CO -0.89 0.16 0.51 0.00 0.00 0.00 0.00 178.15 177.93 3k69 h ALA 112 N -0.43 1.85 0.00 1.87 0.00 -1.83 -1.14 119.26 119.58 3k69 h ALA 112 Ca -0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3k69 h ALA 112 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3k69 h ALA 112 CO 0.05 -0.03 -0.22 0.00 0.00 0.00 0.00 179.25 179.06 3k69 h ALA 113 N 1.62 0.97 0.00 0.00 0.00 -0.79 -3.37 119.26 117.68 3k69 h ALA 113 Ca 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3k69 h ALA 113 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3k69 h ALA 113 CO -0.14 0.27 -0.88 0.09 0.00 0.00 0.00 179.25 178.60 3k69 n ASN 114 N -3.31 3.71 -0.26 0.00 3.02 -0.91 -4.76 115.26 112.75 3k69 n ASN 114 Ca 0.01 -0.11 -0.06 0.00 -0.03 0.00 0.00 54.58 54.39 3k69 n ASN 114 Cb 0.47 1.06 0.05 0.00 -0.61 0.00 0.00 39.78 40.75 3k69 n ASN 114 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3k69 h ILE 115 N 0.00 1.24 -0.55 2.41 6.09 -1.39 -2.32 117.51 122.99 3k69 h ILE 115 Ca 0.00 -0.70 -0.04 0.00 -1.37 0.00 0.00 64.86 62.75 3k69 h ILE 115 Cb 0.07 0.36 -0.02 0.00 0.47 0.00 0.00 36.82 37.69 3k69 h ILE 115 CO 0.00 0.29 0.18 -1.28 -3.07 0.00 0.00 178.15 174.27 3k69 h SER 116 N 1.02 0.80 -0.36 2.19 0.87 -1.84 -0.53 113.55 115.70 3k69 h SER 116 Ca 0.25 -0.20 -0.15 0.00 -1.23 0.00 0.00 61.79 60.46 3k69 h SER 116 Cb 0.15 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3k69 h SER 116 CO -0.03 0.79 -0.36 -0.08 -0.53 0.00 0.00 176.83 176.63 3k69 h GLU 117 N 0.77 0.87 -0.22 2.24 4.81 -1.84 -0.92 114.58 120.29 3k69 h GLU 117 Ca 0.18 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3k69 h GLU 117 Cb 0.27 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3k69 h GLU 117 CO -0.01 1.11 0.14 1.15 -0.73 0.00 0.00 179.01 180.67 3k69 h THR 118 N 0.68 1.06 -0.27 0.32 2.02 -1.26 -2.04 112.91 113.41 3k69 h THR 118 Ca 0.06 -0.12 -0.14 0.00 0.77 0.00 0.00 66.41 66.97 3k69 h THR 118 Cb 0.94 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3k69 h THR 118 CO 0.09 0.06 -0.42 -0.07 0.37 0.00 0.00 175.52 175.55 3k69 h LEU 119 N 0.29 0.70 -0.37 2.58 3.38 -1.09 -1.02 115.31 119.78 3k69 h LEU 119 Ca 0.08 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.75 3k69 h LEU 119 Cb -0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3k69 h LEU 119 CO -0.02 1.03 0.21 0.74 0.09 0.00 0.00 178.44 180.49 3k69 h THR 120 N 0.53 1.02 -0.19 0.22 2.02 -1.15 0.92 112.91 116.27 3k69 h THR 120 Ca 0.04 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3k69 h THR 120 Cb 0.95 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3k69 h THR 120 CO 0.09 0.08 0.06 0.44 0.37 0.00 0.00 175.52 176.55 3k69 h ASP 121 N 0.42 0.29 -0.13 4.18 3.32 -1.20 -0.85 116.42 122.44 3k69 h ASP 121 Ca 0.15 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.03 3k69 h ASP 121 Cb 0.02 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.43 3k69 h ASP 121 CO -0.08 0.42 -0.42 0.25 -1.72 0.00 0.00 179.24 177.68 3k69 h LEU 122 N 0.14 -1.33 -1.00 1.55 5.85 -0.98 -0.13 115.31 119.41 3k69 h LEU 122 Ca 0.06 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 3k69 h LEU 122 Cb 0.24 0.54 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3k69 h LEU 122 CO -0.00 -0.43 0.25 -0.26 -0.34 0.00 0.00 178.44 177.66 3k69 h PHE 123 N -0.49 0.98 -0.16 1.25 0.04 -0.80 -1.26 116.94 116.50 3k69 h PHE 123 Ca 0.07 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 3k69 h PHE 123 Cb 0.63 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 3k69 h PHE 123 CO -0.49 0.76 -0.06 1.15 -0.60 0.00 0.00 178.31 179.08 3k69 h THR 124 N 0.95 1.30 -0.53 -1.55 2.02 -0.89 0.33 112.91 114.53 3k69 h THR 124 Ca 0.22 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.34 3k69 h THR 124 Cb 0.21 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 3k69 h THR 124 CO -0.02 0.31 0.34 0.58 0.37 0.00 0.00 175.52 177.11 3k69 h VAL 125 N 0.02 1.15 -0.66 3.16 2.07 -0.93 -1.68 116.25 119.37 3k69 h VAL 125 Ca 0.04 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3k69 h VAL 125 Cb 0.51 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3k69 h VAL 125 CO 0.02 0.15 0.40 0.00 0.02 0.00 0.00 177.57 178.15 3k69 h ALA 126 N 1.18 0.85 -0.26 1.67 0.00 -1.15 -1.82 119.26 119.74 3k69 h ALA 126 Ca 0.19 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3k69 h ALA 126 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3k69 h ALA 126 CO -0.04 0.32 -0.13 0.22 0.00 0.00 0.00 179.25 179.62 3k69 h ASP 127 N 0.90 0.42 -0.55 0.00 3.58 -0.65 -1.39 116.42 118.73 3k69 h ASP 127 Ca 0.24 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 3k69 h ASP 127 Cb -0.03 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 3k69 h ASP 127 CO -0.04 0.58 0.07 0.03 -2.88 0.00 0.00 179.24 177.00 3k69 h ARG 128 N 0.40 0.96 -0.56 0.28 3.08 -0.72 0.04 114.38 117.86 3k69 h ARG 128 Ca 0.08 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 3k69 h ARG 128 Cb 0.48 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3k69 h ARG 128 CO 0.03 0.90 0.02 0.37 -1.07 0.00 0.00 179.97 180.23 3k69 h GLN 129 N 0.90 0.95 0.04 0.04 4.15 -0.74 -0.03 115.11 120.42 3k69 h GLN 129 Ca 0.18 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 3k69 h GLN 129 Cb 0.43 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.01 3k69 h GLN 129 CO 0.01 0.92 -0.02 -0.92 -1.93 0.00 0.00 178.83 176.90 3k69 h TYR 130 N 0.88 -0.05 -0.14 3.99 3.20 -0.86 -3.09 116.97 120.90 3k69 h TYR 130 Ca 0.17 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 3k69 h TYR 130 Cb 0.48 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3k69 h TYR 130 CO 0.03 0.01 -0.42 0.00 -1.64 0.00 0.00 178.16 176.15 3k69 h ARG 131 N -0.10 0.31 -0.85 1.82 3.08 -0.77 -2.28 114.38 115.57 3k69 h ARG 131 Ca -0.01 -0.15 0.18 0.00 0.07 0.00 0.00 59.98 60.07 3k69 h ARG 131 Cb 0.09 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 3k69 h ARG 131 CO 0.01 0.68 0.56 0.00 -1.07 0.00 0.00 179.97 180.15 3k69 h ALA 132 N 1.31 2.13 -0.13 0.04 0.00 -0.93 -2.28 119.26 119.40 3k69 h ALA 132 Ca 0.02 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3k69 h ALA 132 Cb 0.85 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3k69 h ALA 132 CO 0.07 -0.39 -0.10 -0.92 0.00 0.00 0.00 179.25 177.91 3k69 h TYR 133 N 0.44 -0.25 -0.07 0.00 3.20 -1.33 -2.75 116.97 116.21 3k69 h TYR 133 Ca 0.43 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.24 3k69 h TYR 133 Cb 1.01 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 3k69 h TYR 133 CO -0.00 -0.16 -0.35 1.88 -1.64 0.00 0.00 178.16 177.89 3k69 h TYR 134 N -0.11 0.15 0.00 -3.82 0.05 -1.54 -2.85 116.97 108.85 3k69 h TYR 134 Ca 0.08 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3k69 h TYR 134 Cb 0.24 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.94 3k69 h TYR 134 CO -0.23 0.47 0.00 0.45 -1.05 0.00 0.00 178.16 177.80 3k69 h HIS 135 N 0.12 0.00 0.00 4.88 3.86 -1.34 -1.74 115.15 120.92 3k69 h HIS 135 Ca 0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3k69 h HIS 135 Cb 0.68 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.15 3k69 h HIS 135 CO 0.01 0.00 -0.00 1.96 0.86 0.00 0.00 177.93 180.75 3k69 h GLN 136 N 0.00 0.00 -5.63 2.45 4.20 -1.52 -3.45 115.11 111.16 3k69 h GLN 136 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 3k69 h GLN 136 Cb 0.11 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.76 3k69 h GLN 136 CO 0.00 0.00 -0.64 -0.06 -0.67 0.00 0.00 178.83 177.47 3k69 s PHE 137 N -3.79 2.28 0.00 2.96 0.08 -0.68 -5.06 117.98 113.78 3k69 s PHE 137 Ca -0.00 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.37 3k69 s PHE 137 Cb 0.10 -1.46 0.00 0.00 -0.57 0.00 0.00 43.02 41.09 3k69 s PHE 137 CO 0.51 0.38 0.00 0.25 -0.10 0.00 0.00 175.22 176.26 3k69 n THR 138 N -0.80 0.00 0.00 0.64 -2.24 -1.26 -0.72 114.28 109.90 3k69 n THR 138 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3k69 n THR 138 Cb 0.65 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 3k69 n THR 138 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k69 n ALA 140 N -3.00 0.00 -0.33 6.98 0.00 -1.17 -2.10 120.51 120.90 3k69 n ALA 140 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3k69 n ALA 140 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 3k69 n ALA 140 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3k69 h ASP 141 N 0.00 1.11 -0.27 0.00 3.32 -1.95 -0.56 116.42 118.07 3k69 h ASP 141 Ca 0.00 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 3k69 h ASP 141 Cb 0.00 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3k69 h ASP 141 CO 0.00 0.88 -0.20 0.25 -1.72 0.00 0.00 179.24 178.46 3k69 h LEU 142 N 1.25 0.65 -1.02 1.55 6.46 -1.84 -1.95 115.31 120.41 3k69 h LEU 142 Ca 0.32 -0.44 0.01 0.00 -0.12 0.00 0.00 57.88 57.64 3k69 h LEU 142 Cb 0.01 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 39.71 3k69 h LEU 142 CO -0.05 0.95 0.63 -0.61 -0.62 0.00 0.00 178.44 178.74 3k69 h GLN 143 N 0.35 1.29 -0.58 1.25 4.15 -1.83 -1.66 115.11 118.08 3k69 h GLN 143 Ca 0.05 -0.09 0.10 0.00 0.77 0.00 0.00 58.65 59.49 3k69 h GLN 143 Cb 0.74 -0.28 -0.08 0.00 0.21 0.00 0.00 27.48 28.06 3k69 h GLN 143 CO 0.05 0.87 0.15 0.00 -1.93 0.00 0.00 178.83 177.97 3k69 h ALA 144 N 1.37 0.70 -0.52 3.38 0.00 -0.83 -2.00 119.26 121.37 3k69 h ALA 144 Ca 0.35 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 3k69 h ALA 144 Cb -0.13 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3k69 h ALA 144 CO -0.07 -0.27 0.04 0.22 0.00 0.00 0.00 179.25 179.17 3k69 h ASP 145 N 0.30 0.86 -0.87 0.00 3.58 -0.95 0.17 116.42 119.50 3k69 h ASP 145 Ca 0.30 -0.28 0.08 0.00 0.42 0.00 0.00 57.03 57.55 3k69 h ASP 145 Cb 0.41 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 41.17 3k69 h ASP 145 CO -0.36 0.93 0.57 0.25 -2.88 0.00 0.00 179.24 177.75 3k69 h LEU 146 N 0.76 0.81 0.12 2.28 5.85 -1.13 -2.65 115.31 121.35 3k69 h LEU 146 Ca 0.15 0.02 -0.33 0.00 0.84 0.00 0.00 57.88 58.56 3k69 h LEU 146 Cb 0.46 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3k69 h LEU 146 CO 0.02 0.49 -1.68 0.78 -0.34 0.00 0.00 178.44 177.71 3k69 h ASN 147 N 0.90 0.40 -3.70 1.25 2.35 -1.20 -3.42 115.58 112.17 3k69 h ASN 147 Ca 0.39 -0.64 -0.63 0.00 -0.55 0.00 0.00 56.30 54.87 3k69 h ASN 147 Cb 0.34 -0.13 -0.40 0.00 0.05 0.00 0.00 38.32 38.17 3k69 h ASN 147 CO -0.16 1.55 -0.71 -2.28 -1.65 0.00 0.00 177.43 174.18 3k69 s HIS 148 N -2.60 2.90 0.57 1.19 2.46 0.56 -5.11 115.29 115.27 3k69 s HIS 148 Ca -0.12 -2.68 -0.20 0.00 0.47 0.00 0.00 55.06 52.53 3k69 s HIS 148 Cb 0.07 -2.47 -0.04 0.00 -0.13 0.00 0.00 32.58 30.01 3k69 s HIS 148 CO 0.84 -0.86 1.27 -1.01 -2.47 0.00 0.00 174.74 172.51 3k69 s HIS 149 N 0.70 2.34 0.00 3.88 3.76 -1.01 -3.29 115.29 121.67 3k69 s HIS 149 Ca 0.13 1.46 0.00 0.00 -0.15 0.00 0.00 55.06 56.51 3k69 s HIS 149 Cb -0.21 -3.62 0.00 0.00 1.11 0.00 0.00 32.58 29.86 3k69 s HIS 149 CO -0.09 -2.52 0.00 0.41 -0.85 0.00 0.00 174.74 171.69 3k69 n GLY 150 N 0.66 0.72 0.22 -2.22 0.00 -1.26 -4.97 105.19 98.34 3k69 n GLY 150 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 3k69 n GLY 150 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3k69 h THR 151 N 0.00 1.27 -0.43 2.61 2.02 -1.85 -0.47 112.91 116.05 3k69 h THR 151 Ca 0.00 -1.09 -0.08 0.00 0.77 0.00 0.00 66.41 66.01 3k69 h THR 151 Cb 0.00 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3k69 h THR 151 CO 0.00 0.36 -0.06 -0.26 0.37 0.00 0.00 175.52 175.94 3k69 h PHE 152 N 0.52 0.79 -0.56 3.16 0.04 -1.93 -1.76 116.94 117.20 3k69 h PHE 152 Ca 0.10 -0.12 -0.10 0.00 2.80 0.00 0.00 57.97 60.65 3k69 h PHE 152 Cb 0.54 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 3k69 h PHE 152 CO 0.04 0.77 -0.03 -0.07 -0.60 0.00 0.00 178.31 178.43 3k69 h LEU 153 N 0.68 0.99 -0.45 1.54 3.38 -1.92 -2.08 115.31 117.45 3k69 h LEU 153 Ca 0.13 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3k69 h LEU 153 Cb 0.50 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3k69 h LEU 153 CO 0.03 1.07 0.11 -0.61 0.09 0.00 0.00 178.44 179.13 3k69 h GLN 154 N 0.89 0.73 -0.79 1.13 5.75 -0.97 -1.83 115.11 120.01 3k69 h GLN 154 Ca 0.16 -0.18 0.10 0.00 -0.15 0.00 0.00 58.65 58.58 3k69 h GLN 154 Cb 0.58 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.96 3k69 h GLN 154 CO 0.03 0.72 0.44 0.45 -2.65 0.00 0.00 178.83 177.82 3k69 h HIS 155 N 0.60 0.79 0.08 3.99 3.86 -1.17 0.87 115.15 124.18 3k69 h HIS 155 Ca 0.14 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3k69 h HIS 155 Cb 0.32 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3k69 h HIS 155 CO 0.02 0.31 -0.04 1.49 0.86 0.00 0.00 177.93 180.57 3k69 h GLU 156 N 0.73 -0.10 -0.47 2.45 4.81 -1.13 -1.45 114.58 119.41 3k69 h GLU 156 Ca 0.39 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.71 3k69 h GLU 156 Cb 0.38 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.71 3k69 h GLU 156 CO -0.26 -0.03 0.04 1.96 -0.73 0.00 0.00 179.01 180.00 3k69 h GLN 157 N -0.16 0.16 -0.30 1.92 1.08 -0.83 -1.23 115.11 115.76 3k69 h GLN 157 Ca -0.01 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3k69 h GLN 157 Cb 0.13 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 3k69 h GLN 157 CO 0.02 0.11 0.09 -0.44 -0.95 0.00 0.00 178.83 177.66 3k69 h ASP 158 N 0.16 0.38 -0.12 1.46 3.32 -0.63 -2.71 116.42 118.28 3k69 h ASP 158 Ca 0.24 -0.04 -0.20 0.00 0.02 0.00 0.00 57.03 57.05 3k69 h ASP 158 Cb 0.33 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.80 3k69 h ASP 158 CO -0.35 0.37 -0.69 0.28 -1.72 0.00 0.00 179.24 177.12 3k69 h SER 159 N 0.42 0.82 0.00 6.45 0.02 -0.70 -3.51 113.55 117.04 3k69 h SER 159 Ca 0.10 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 3k69 h SER 159 Cb 0.13 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3k69 h SER 159 CO -0.01 1.33 0.00 -0.62 -1.14 0.00 0.00 176.83 176.40