#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k77 s GLU 3 N 0.00 4.16 0.13 -0.52 2.12 -1.26 -0.17 118.70 123.16 3k77 s GLU 3 Ca 0.00 2.51 -0.27 0.00 0.36 0.00 0.00 54.97 57.57 3k77 s GLU 3 Cb 0.00 -3.06 -0.07 0.00 0.26 0.00 0.00 34.13 31.26 3k77 s GLU 3 CO 0.00 -0.60 0.85 0.42 -0.54 0.00 0.00 175.26 175.38 3k77 s ILE 4 N 0.24 4.46 -0.06 -3.70 1.01 0.43 -4.81 121.20 118.77 3k77 s ILE 4 Ca 0.64 1.84 -0.17 0.00 0.00 0.00 0.00 60.65 62.97 3k77 s ILE 4 Cb -0.47 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 37.74 3k77 s ILE 4 CO 0.44 0.42 0.45 -0.13 0.00 0.00 0.00 174.94 176.12 3k77 s ARG 5 N -0.54 4.17 -0.20 2.79 0.52 -1.26 -4.67 118.95 119.77 3k77 s ARG 5 Ca 0.40 0.45 -0.07 0.00 -0.52 0.00 0.00 55.73 56.00 3k77 s ARG 5 Cb -0.23 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 3k77 s ARG 5 CO 0.27 0.40 0.04 -0.51 0.02 0.00 0.00 175.30 175.53 3k77 s LEU 6 N -0.17 3.58 -0.08 2.53 1.43 -1.26 -1.73 118.68 122.97 3k77 s LEU 6 Ca 0.25 -0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 3k77 s LEU 6 Cb -0.16 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 3k77 s LEU 6 CO 0.12 0.11 0.10 -0.09 0.23 0.00 0.00 176.35 176.82 3k77 h ARG 7 N 7.15 -0.08 -3.38 1.70 2.43 -0.38 -3.45 114.38 118.38 3k77 h ARG 7 Ca -0.36 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.80 3k77 h ARG 7 Cb 1.18 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.68 3k77 h ARG 7 CO 0.65 -0.05 0.04 -3.38 -1.51 0.00 0.00 179.97 175.72 3k77 s HIS 8 N -1.76 0.17 -0.28 2.20 -3.43 -1.17 -5.00 115.29 106.01 3k77 s HIS 8 Ca -0.01 -0.58 -0.20 0.00 -0.80 0.00 0.00 55.06 53.46 3k77 s HIS 8 Cb 0.00 0.43 -0.01 0.00 -1.43 0.00 0.00 32.58 31.56 3k77 s HIS 8 CO 0.03 -1.14 0.63 0.08 -2.00 0.00 0.00 174.74 172.34 3k77 s VAL 9 N -3.81 4.96 0.04 -5.38 1.01 -1.26 -0.20 120.40 115.76 3k77 s VAL 9 Ca 0.18 0.99 -0.14 0.00 0.00 0.00 0.00 61.98 63.00 3k77 s VAL 9 Cb -0.03 -3.97 -0.34 0.00 0.00 0.00 0.00 36.38 32.04 3k77 s VAL 9 CO 0.09 -0.06 1.03 0.58 0.00 0.00 0.00 175.10 176.74 3k77 h VAL 10 N 5.48 1.31 -3.12 2.92 2.07 -0.00 -3.48 116.25 121.43 3k77 h VAL 10 Ca -0.27 -2.72 -0.01 0.00 0.82 0.00 0.00 66.70 64.52 3k77 h VAL 10 Cb 1.12 3.01 -0.11 0.00 -1.52 0.00 0.00 31.29 33.79 3k77 h VAL 10 CO 0.79 0.81 0.14 -0.94 0.02 0.00 0.00 177.57 178.39 3k77 s SER 11 N -7.53 -0.41 -0.23 0.57 1.04 -1.17 -4.96 113.70 101.00 3k77 s SER 11 Ca -0.08 -0.24 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 3k77 s SER 11 Cb 0.05 0.60 0.08 0.00 0.10 0.00 0.00 66.02 66.84 3k77 s SER 11 CO 0.94 -1.03 0.55 0.00 0.98 0.00 0.00 173.24 174.68 3k77 h SER 13 N 7.31 0.00 -2.62 0.00 4.64 -0.63 -3.46 113.55 118.79 3k77 h SER 13 Ca -0.29 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.15 3k77 h SER 13 Cb 1.18 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.98 3k77 h SER 13 CO 0.20 0.31 0.57 -0.55 -0.87 0.00 0.00 176.83 176.49 3k77 s SER 14 N -6.31 -0.33 0.05 4.97 0.15 -1.26 -4.90 113.70 106.07 3k77 s SER 14 Ca 0.01 0.58 -0.22 0.00 0.70 0.00 0.00 55.95 57.02 3k77 s SER 14 Cb 0.10 0.81 0.05 0.00 -1.71 0.00 0.00 66.02 65.27 3k77 s SER 14 CO 0.67 -0.10 0.52 0.00 1.20 0.00 0.00 173.24 175.53 3k77 s GLN 15 N 0.60 1.03 0.57 5.44 -2.07 -1.25 -4.43 119.66 119.55 3k77 s GLN 15 Ca -0.01 -0.24 -0.06 0.00 -1.82 0.00 0.00 55.36 53.24 3k77 s GLN 15 Cb -0.04 0.47 -0.00 0.00 -1.09 0.00 0.00 33.01 32.35 3k77 s GLN 15 CO -0.11 -0.37 0.88 0.34 -1.32 0.00 0.00 175.29 174.70 3k77 s ASP 16 N -1.97 5.75 0.23 12.60 -1.08 -0.07 -3.39 116.67 128.74 3k77 s ASP 16 Ca -0.05 0.77 0.05 0.00 -0.52 0.00 0.00 52.55 52.80 3k77 s ASP 16 Cb -0.01 -1.83 0.22 0.00 -1.46 0.00 0.00 42.92 39.84 3k77 s ASP 16 CO -0.02 -0.95 1.54 0.77 0.52 0.00 0.00 175.17 177.03 3k77 h SER 17 N -0.09 0.23 0.00 -0.34 4.64 -1.93 -3.19 113.55 112.87 3k77 h SER 17 Ca -0.46 -0.14 -0.38 0.00 -0.47 0.00 0.00 61.79 60.35 3k77 h SER 17 Cb 1.24 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 63.21 3k77 h SER 17 CO 0.61 0.81 -2.06 0.35 -0.87 0.00 0.00 176.83 175.67 3k77 n THR 18 N -3.83 1.53 -2.56 2.95 -2.24 -1.26 -4.63 114.28 104.24 3k77 n THR 18 Ca -0.02 -0.25 -0.43 0.00 -2.27 0.00 0.00 64.05 61.08 3k77 n THR 18 Cb 0.65 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 3k77 n THR 18 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3k77 n HIS 19 N -4.31 3.45 -3.30 4.78 8.25 -1.26 -4.88 115.22 117.94 3k77 n HIS 19 Ca -0.46 -2.94 -0.21 0.00 -0.26 0.00 0.00 57.72 53.85 3k77 n HIS 19 Cb 0.81 -1.95 0.00 0.00 1.12 0.00 0.00 29.99 29.97 3k77 n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k77 h ALA 21 N 0.70 2.01 -0.21 0.00 0.00 -1.86 -1.76 119.26 118.14 3k77 h ALA 21 Ca -0.47 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3k77 h ALA 21 Cb 1.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3k77 h ALA 21 CO 0.56 -0.27 0.26 1.05 0.00 0.00 0.00 179.25 180.85 3k77 h GLU 22 N 0.54 0.00 0.00 0.00 4.11 -1.94 -1.08 114.58 116.20 3k77 h GLU 22 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 3k77 h GLU 22 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3k77 h GLU 22 CO -0.19 0.00 0.00 -0.91 0.07 0.00 0.00 179.01 177.98 3k77 h ASN 23 N 0.00 0.00 0.68 3.06 2.35 -1.60 -2.87 115.58 117.20 3k77 h ASN 23 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3k77 h ASN 23 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3k77 h ASN 23 CO -0.00 0.00 -0.60 0.18 -1.65 0.00 0.00 177.43 175.36 3k77 n LEU 24 N -2.32 0.59 0.19 1.61 4.77 -0.41 -4.10 117.00 117.33 3k77 n LEU 24 Ca 0.00 0.12 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 3k77 n LEU 24 Cb 0.15 -0.21 0.46 0.00 -2.33 0.00 0.00 43.42 41.49 3k77 n LEU 24 CO 0.16 0.03 0.89 -0.07 -1.33 0.00 0.00 177.39 177.07 3k77 h LEU 25 N 0.00 0.07 -7.78 2.23 3.38 -1.68 -3.40 115.31 108.13 3k77 h LEU 25 Ca 0.00 -0.01 -0.42 0.00 0.09 0.00 0.00 57.88 57.54 3k77 h LEU 25 Cb 0.64 -0.02 -0.34 0.00 0.09 0.00 0.00 40.66 41.03 3k77 h LEU 25 CO 0.00 0.25 -0.78 -0.54 0.09 0.00 0.00 178.44 177.47 3k77 s LYS 26 N -4.65 0.93 0.52 1.13 1.02 -1.26 -4.21 119.74 113.22 3k77 s LYS 26 Ca -0.04 -0.15 0.31 0.00 0.02 0.00 0.00 55.97 56.11 3k77 s LYS 26 Cb 0.16 -0.89 1.33 0.00 -0.52 0.00 0.00 37.83 37.90 3k77 s LYS 26 CO 0.71 -0.06 1.98 0.00 -0.92 0.00 0.00 175.35 177.06 3k77 h ALA 27 N 7.11 1.05 -0.78 5.17 0.00 -1.81 -3.17 119.26 126.84 3k77 h ALA 27 Ca -0.38 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 54.68 3k77 h ALA 27 Cb 1.16 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3k77 h ALA 27 CO 0.48 0.11 0.56 -0.44 0.00 0.00 0.00 179.25 179.95 3k77 h ASP 28 N 0.00 0.00 0.65 0.00 3.32 -1.95 -3.25 116.42 115.20 3k77 h ASP 28 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3k77 h ASP 28 Cb 0.52 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3k77 h ASP 28 CO 0.01 0.00 -0.60 0.74 -1.72 0.00 0.00 179.24 177.67 3k77 h THR 29 N 0.00 1.40 -1.14 0.35 2.02 -1.88 -3.46 112.91 110.20 3k77 h THR 29 Ca 0.37 -2.08 -0.31 0.00 0.77 0.00 0.00 66.41 65.16 3k77 h THR 29 Cb 1.48 2.13 -0.09 0.00 -1.74 0.00 0.00 68.15 69.93 3k77 h THR 29 CO -0.01 0.59 -0.31 -1.22 0.37 0.00 0.00 175.52 174.94 3k77 n TYR 30 N -3.77 -0.21 -4.11 3.16 0.53 -1.23 -5.00 117.16 106.53 3k77 n TYR 30 Ca -0.01 0.00 -0.33 0.00 -1.02 0.00 0.00 57.90 56.54 3k77 n TYR 30 Cb 0.61 -2.80 -0.07 0.00 -1.03 0.00 0.00 39.34 36.05 3k77 n TYR 30 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 3k77 s ARG 31 N -3.71 3.07 0.21 -0.72 0.52 -1.26 -5.12 118.95 111.94 3k77 s ARG 31 Ca 0.00 -0.48 0.06 0.00 -0.52 0.00 0.00 55.73 54.80 3k77 s ARG 31 Cb 0.00 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 3k77 s ARG 31 CO 0.00 0.65 0.16 0.15 0.02 0.00 0.00 175.30 176.28 3k77 s LYS 32 N -1.69 2.87 -0.17 3.54 1.02 -1.26 -4.67 119.74 119.38 3k77 s LYS 32 Ca 0.22 -1.00 -0.03 0.00 0.02 0.00 0.00 55.97 55.19 3k77 s LYS 32 Cb -0.12 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.60 3k77 s LYS 32 CO 0.13 0.43 -0.06 -0.46 -0.92 0.00 0.00 175.35 174.48 3k77 s TRP 33 N -1.97 2.95 0.08 3.18 -0.00 -0.49 -3.34 118.94 119.35 3k77 s TRP 33 Ca 0.32 -0.60 0.01 0.00 -0.00 0.00 0.00 56.10 55.83 3k77 s TRP 33 Cb -0.09 -1.99 -0.04 0.00 -0.00 0.00 0.00 33.47 31.36 3k77 s TRP 33 CO 0.24 -0.26 -0.06 1.03 -0.00 0.00 0.00 176.95 177.90 3k77 s ARG 34 N 0.77 0.74 0.54 5.86 0.52 -0.05 -1.48 118.95 125.85 3k77 s ARG 34 Ca -0.02 -1.22 -0.20 0.00 -0.52 0.00 0.00 55.73 53.76 3k77 s ARG 34 Cb -0.15 -0.14 -0.05 0.00 0.52 0.00 0.00 34.95 35.13 3k77 s ARG 34 CO 0.02 -0.02 1.19 0.00 0.02 0.00 0.00 175.30 176.50 3k77 s ALA 35 N -3.31 2.73 0.47 2.13 0.00 -0.72 -0.89 121.76 122.18 3k77 s ALA 35 Ca 0.07 0.97 0.13 0.00 0.00 0.00 0.00 51.96 53.13 3k77 s ALA 35 Cb 0.03 -3.42 1.10 0.00 0.00 0.00 0.00 23.12 20.83 3k77 s ALA 35 CO -0.05 -0.94 2.09 0.00 0.00 0.00 0.00 175.76 176.86 3k77 h ALA 36 N 1.35 1.92 -2.79 0.00 0.00 -1.77 -3.36 119.26 114.62 3k77 h ALA 36 Ca -0.50 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 3k77 h ALA 36 Cb 1.27 -0.07 -0.20 0.00 0.00 0.00 0.00 17.79 18.80 3k77 h ALA 36 CO 0.57 0.05 -0.64 0.15 0.00 0.00 0.00 179.25 179.38 3k77 s LYS 37 N -5.26 0.42 0.53 0.00 -0.14 -1.26 -4.83 119.74 109.19 3k77 s LYS 37 Ca -0.07 -0.69 -0.21 0.00 -1.36 0.00 0.00 55.97 53.65 3k77 s LYS 37 Cb 0.18 0.15 -0.06 0.00 -1.68 0.00 0.00 37.83 36.42 3k77 s LYS 37 CO 0.71 -0.08 1.18 0.00 -0.76 0.00 0.00 175.35 176.39 3k77 s ALA 38 N -1.96 2.76 0.00 5.17 0.00 -1.26 -3.96 121.76 122.51 3k77 s ALA 38 Ca -0.11 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3k77 s ALA 38 Cb -0.06 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3k77 s ALA 38 CO -0.02 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.28 3k77 n GLY 39 N 0.38 0.75 3.64 0.00 0.00 -1.17 -4.92 105.19 103.87 3k77 n GLY 39 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3k77 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k77 s GLU 40 N -0.41 4.12 0.43 1.61 2.02 -1.25 -4.93 118.70 120.29 3k77 s GLU 40 Ca 0.00 1.12 0.11 0.00 0.02 0.00 0.00 54.97 56.22 3k77 s GLU 40 Cb 0.00 -3.70 0.96 0.00 0.10 0.00 0.00 34.13 31.48 3k77 s GLU 40 CO 0.00 -0.79 2.02 0.87 0.02 0.00 0.00 175.26 177.38 3k77 h LYS 41 N 7.88 0.22 -3.48 1.61 1.57 -1.95 -3.43 116.57 119.00 3k77 h LYS 41 Ca -0.20 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.45 3k77 h LYS 41 Cb 1.06 -0.04 -0.16 0.00 0.08 0.00 0.00 32.23 33.17 3k77 h LYS 41 CO 1.00 0.25 -0.29 0.95 -0.57 0.00 0.00 179.45 180.79 3k77 s THR 42 N -5.00 0.10 0.12 -0.16 -4.23 -1.26 -0.72 115.64 104.49 3k77 s THR 42 Ca -0.06 -0.83 -0.06 0.00 -1.18 0.00 0.00 61.69 59.56 3k77 s THR 42 Cb 0.16 -1.04 -0.02 0.00 1.34 0.00 0.00 72.50 72.95 3k77 s THR 42 CO 0.71 -0.46 0.16 0.27 -0.54 0.00 0.00 174.62 174.77 3k77 s ILE 43 N -2.94 0.12 -0.01 2.99 -4.36 -0.24 -4.99 121.20 111.75 3k77 s ILE 43 Ca -0.02 -1.49 -0.15 0.00 -0.26 0.00 0.00 60.65 58.72 3k77 s ILE 43 Cb 0.01 -1.69 0.02 0.00 1.25 0.00 0.00 42.46 42.05 3k77 s ILE 43 CO -0.06 -0.54 0.32 -0.55 0.24 0.00 0.00 174.94 174.36 3k77 s SER 44 N -2.95 -0.21 -0.04 4.36 0.15 -1.26 -1.16 113.70 112.60 3k77 s SER 44 Ca 0.13 0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.85 3k77 s SER 44 Cb 0.05 0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.69 3k77 s SER 44 CO -0.04 -0.45 0.12 0.68 1.20 0.00 0.00 173.24 174.74 3k77 s VAL 45 N -1.32 0.01 -0.21 4.45 -7.23 -0.96 0.20 120.40 115.34 3k77 s VAL 45 Ca -0.13 -0.12 -0.05 0.00 -1.81 0.00 0.00 61.98 59.87 3k77 s VAL 45 Cb -0.05 -0.21 -0.02 0.00 0.56 0.00 0.00 36.38 36.66 3k77 s VAL 45 CO 0.04 -0.06 0.00 -0.69 -0.31 0.00 0.00 175.10 174.08 3k77 s VAL 46 N -0.16 3.87 -0.09 1.32 1.01 -0.20 -1.31 120.40 124.84 3k77 s VAL 46 Ca -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 3k77 s VAL 46 Cb -0.02 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3k77 s VAL 46 CO 0.00 0.41 0.00 -0.76 0.00 0.00 0.00 175.10 174.76 3k77 s LEU 47 N 1.21 3.57 -0.21 3.92 1.43 0.16 0.75 118.68 129.51 3k77 s LEU 47 Ca 0.03 0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 53.11 3k77 s LEU 47 Cb -0.15 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 3k77 s LEU 47 CO 0.01 0.36 0.34 -1.58 0.23 0.00 0.00 176.35 175.71 3k77 s GLN 48 N -0.76 4.15 0.61 1.70 2.00 0.71 -0.84 119.66 127.23 3k77 s GLN 48 Ca 0.12 0.08 -0.15 0.00 -2.00 0.00 0.00 55.36 53.41 3k77 s GLN 48 Cb -0.12 -3.54 -0.03 0.00 0.80 0.00 0.00 33.01 30.13 3k77 s GLN 48 CO 0.02 -0.02 1.05 -0.51 -0.50 0.00 0.00 175.29 175.34 3k77 s LEU 49 N 1.26 3.44 0.25 3.68 1.43 0.34 0.30 118.68 129.37 3k77 s LEU 49 Ca 0.16 1.76 -0.02 0.00 -1.03 0.00 0.00 54.13 55.00 3k77 s LEU 49 Cb -0.14 -4.52 0.30 0.00 0.03 0.00 0.00 46.19 41.85 3k77 s LEU 49 CO 0.07 -1.18 1.72 -0.33 0.23 0.00 0.00 176.35 176.86 3k77 h GLU 50 N 0.26 0.75 -4.29 1.70 5.08 -1.65 -3.41 114.58 113.02 3k77 h GLU 50 Ca -0.46 -0.24 -0.15 0.00 -1.00 0.00 0.00 59.36 57.51 3k77 h GLU 50 Cb 1.22 -0.07 -0.15 0.00 0.50 0.00 0.00 28.75 30.25 3k77 h GLU 50 CO 0.58 0.83 -0.65 -1.59 -1.00 0.00 0.00 179.01 177.17 3k77 s LYS 51 N -4.82 0.76 0.17 2.33 -2.85 -1.26 -5.01 119.74 109.06 3k77 s LYS 51 Ca -0.09 -1.30 -0.30 0.00 -1.00 0.00 0.00 55.97 53.27 3k77 s LYS 51 Cb 0.14 0.23 -0.08 0.00 -2.06 0.00 0.00 37.83 36.06 3k77 s LYS 51 CO 0.82 -0.18 1.31 -2.00 0.10 0.00 0.00 175.35 175.39 3k77 s GLU 52 N -3.97 4.38 0.09 1.78 2.12 -1.26 -4.68 118.70 117.16 3k77 s GLU 52 Ca 0.14 2.03 -0.11 0.00 0.36 0.00 0.00 54.97 57.39 3k77 s GLU 52 Cb 0.08 -3.22 0.01 0.00 0.26 0.00 0.00 34.13 31.26 3k77 s GLU 52 CO -0.05 -0.28 0.25 -1.21 -0.54 0.00 0.00 175.26 173.43 3k77 s GLU 53 N 0.23 0.89 -0.10 4.30 2.02 0.13 -4.84 118.70 121.34 3k77 s GLU 53 Ca 0.58 -0.84 -0.19 0.00 0.02 0.00 0.00 54.97 54.54 3k77 s GLU 53 Cb -0.36 0.37 -0.04 0.00 0.10 0.00 0.00 34.13 34.20 3k77 s GLU 53 CO 0.36 -0.30 0.50 -1.14 0.02 0.00 0.00 175.26 174.69 3k77 s GLN 54 N -3.69 4.32 -0.23 1.61 0.74 -1.26 -0.53 119.66 120.62 3k77 s GLN 54 Ca 0.03 0.51 -0.16 0.00 0.05 0.00 0.00 55.36 55.79 3k77 s GLN 54 Cb 0.03 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 3k77 s GLN 54 CO -0.10 0.20 0.41 0.42 -0.55 0.00 0.00 175.29 175.66 3k77 s ILE 55 N 0.46 5.18 -0.21 -2.34 1.01 -1.26 -3.77 121.20 120.27 3k77 s ILE 55 Ca 0.27 0.69 0.02 0.00 0.00 0.00 0.00 60.65 61.64 3k77 s ILE 55 Cb -0.16 -3.73 -0.20 0.00 0.01 0.00 0.00 42.46 38.38 3k77 s ILE 55 CO 0.12 0.20 -0.02 1.57 0.00 0.00 0.00 174.94 176.81 3k77 n HIS 56 N 4.85 0.33 -3.74 3.97 -0.00 0.11 -4.89 115.22 115.84 3k77 n HIS 56 Ca -0.08 0.08 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 3k77 n HIS 56 Cb 0.51 -1.05 -0.06 0.00 -0.00 0.00 0.00 29.99 29.39 3k77 n HIS 56 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3k77 s SER 57 N -6.49 -0.10 -0.06 0.26 0.15 -1.15 -2.46 113.70 103.84 3k77 s SER 57 Ca -0.28 -0.33 -0.02 0.00 0.70 0.00 0.00 55.95 56.02 3k77 s SER 57 Cb 0.08 0.39 0.04 0.00 -1.71 0.00 0.00 66.02 64.82 3k77 s SER 57 CO 0.68 -0.71 0.10 -0.69 1.20 0.00 0.00 173.24 173.82 3k77 s VAL 58 N -3.21 -0.16 -0.14 4.45 1.01 -0.09 -2.16 120.40 120.10 3k77 s VAL 58 Ca -0.00 0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.29 3k77 s VAL 58 Cb 0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 3k77 s VAL 58 CO -0.08 0.16 0.10 -1.81 0.00 0.00 0.00 175.10 173.48 3k77 s ASP 59 N 2.13 6.06 -0.12 3.32 1.01 0.21 -0.28 116.67 128.99 3k77 s ASP 59 Ca 0.03 0.32 0.01 0.00 0.71 0.00 0.00 52.55 53.61 3k77 s ASP 59 Cb -0.12 -1.96 0.02 0.00 1.01 0.00 0.00 42.92 41.87 3k77 s ASP 59 CO -0.04 0.33 -0.12 -0.63 0.21 0.00 0.00 175.17 174.92 3k77 s ILE 60 N -0.55 1.31 -0.40 0.77 -1.09 -0.25 -1.26 121.20 119.73 3k77 s ILE 60 Ca 0.12 -0.49 -0.14 0.00 -2.23 0.00 0.00 60.65 57.91 3k77 s ILE 60 Cb -0.12 -1.25 0.02 0.00 -1.58 0.00 0.00 42.46 39.54 3k77 s ILE 60 CO 0.02 0.41 0.27 -0.83 -1.23 0.00 0.00 174.94 173.58 3k77 s GLY 61 N 1.39 1.98 0.99 6.18 0.00 -0.52 -0.80 107.32 116.53 3k77 s GLY 61 Ca 0.01 -1.72 -0.12 0.00 0.00 0.00 0.00 44.72 42.88 3k77 s GLY 61 CO -0.06 0.90 1.10 0.21 0.00 0.00 0.00 173.10 175.24 3k77 s ASN 62 N 1.64 2.75 -0.41 1.64 2.47 -0.40 0.10 114.94 122.74 3k77 s ASN 62 Ca 0.04 1.12 0.06 0.00 0.42 0.00 0.00 52.86 54.50 3k77 s ASN 62 Cb -0.19 -1.77 0.32 0.00 -1.45 0.00 0.00 41.25 38.16 3k77 s ASN 62 CO 0.09 -3.04 1.22 -0.67 -3.72 0.00 0.00 177.10 170.98 3k77 n ASP 63 N -4.11 -1.93 0.00 -4.21 2.03 -0.69 -3.41 116.55 104.22 3k77 n ASP 63 Ca 0.05 -2.90 0.00 0.00 0.52 0.00 0.00 54.79 52.47 3k77 n ASP 63 Cb 0.58 1.50 0.00 0.00 -0.72 0.00 0.00 41.12 42.48 3k77 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k77 n GLY 64 N 0.08 0.53 3.83 0.27 0.00 -0.52 -1.10 105.19 108.29 3k77 n GLY 64 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3k77 n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k77 s SER 65 N -2.04 6.83 -0.14 1.61 0.01 -1.25 -4.74 113.70 113.98 3k77 s SER 65 Ca 0.00 1.52 0.01 0.00 1.31 0.00 0.00 55.95 58.79 3k77 s SER 65 Cb 0.00 -2.47 -0.24 0.00 0.21 0.00 0.00 66.02 63.52 3k77 s SER 65 CO 0.00 -0.33 0.27 0.00 0.41 0.00 0.00 173.24 173.59 3k77 n ALA 66 N -0.68 1.17 -2.69 1.44 0.00 0.70 -4.17 120.51 116.28 3k77 n ALA 66 Ca 0.06 -0.79 -0.19 0.00 0.00 0.00 0.00 53.44 52.51 3k77 n ALA 66 Cb 0.54 -0.55 -0.12 0.00 0.00 0.00 0.00 19.45 19.32 3k77 n ALA 66 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3k77 s PHE 67 N -2.55 1.23 -0.01 0.00 0.08 -0.99 -1.00 117.98 114.73 3k77 s PHE 67 Ca -0.21 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.42 3k77 s PHE 67 Cb 0.07 -0.70 0.01 0.00 -0.57 0.00 0.00 43.02 41.84 3k77 s PHE 67 CO 0.75 0.06 -0.01 0.08 -0.10 0.00 0.00 175.22 175.99 3k77 s VAL 68 N -1.17 0.18 -0.00 -0.44 1.01 -0.36 -1.23 120.40 118.39 3k77 s VAL 68 Ca -0.01 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.01 3k77 s VAL 68 Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 3k77 s VAL 68 CO 0.02 0.10 -0.16 -0.70 0.00 0.00 0.00 175.10 174.36 3k77 s GLU 69 N 0.47 1.25 -0.13 2.72 2.12 0.56 -0.77 118.70 124.91 3k77 s GLU 69 Ca -0.04 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 54.68 3k77 s GLU 69 Cb -0.07 -1.23 0.02 0.00 0.26 0.00 0.00 34.13 33.10 3k77 s GLU 69 CO -0.01 0.33 -0.18 0.08 -0.54 0.00 0.00 175.26 174.94 3k77 s VAL 70 N -0.47 1.77 0.25 3.70 1.01 -0.71 -0.36 120.40 125.58 3k77 s VAL 70 Ca 0.06 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.35 3k77 s VAL 70 Cb -0.07 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3k77 s VAL 70 CO -0.00 0.49 -0.07 -0.76 0.00 0.00 0.00 175.10 174.76 3k77 s LEU 71 N 1.06 3.00 0.05 3.92 1.02 0.90 -0.79 118.68 127.84 3k77 s LEU 71 Ca -0.03 -0.72 0.07 0.00 0.02 0.00 0.00 54.13 53.47 3k77 s LEU 71 Cb -0.14 -1.56 -0.03 0.00 0.02 0.00 0.00 46.19 44.48 3k77 s LEU 71 CO -0.05 0.03 -0.20 0.68 0.02 0.00 0.00 176.35 176.84 3k77 s VAL 72 N -2.22 1.57 0.29 -1.59 -7.23 0.27 -0.73 120.40 110.77 3k77 s VAL 72 Ca 0.29 -1.20 -0.05 0.00 -1.81 0.00 0.00 61.98 59.21 3k77 s VAL 72 Cb -0.07 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.51 3k77 s VAL 72 CO 0.18 0.14 0.47 0.61 -0.31 0.00 0.00 175.10 176.18 3k77 n GLY 73 N 1.77 1.92 3.29 2.32 0.00 -0.97 -0.05 105.19 113.47 3k77 n GLY 73 Ca -0.18 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.15 3k77 n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k77 s SER 74 N -2.66 2.67 0.24 1.61 0.15 -1.26 -1.64 113.70 112.81 3k77 s SER 74 Ca 0.19 -0.60 0.25 0.00 0.70 0.00 0.00 55.95 56.49 3k77 s SER 74 Cb -0.02 -0.20 0.68 0.00 -1.71 0.00 0.00 66.02 64.77 3k77 s SER 74 CO 0.14 0.15 1.70 0.77 1.20 0.00 0.00 173.24 177.19 3k77 h SER 75 N 4.53 0.00 -3.32 5.45 4.64 -1.87 -3.38 113.55 119.60 3k77 h SER 75 Ca -0.45 -0.02 -0.53 0.00 -0.47 0.00 0.00 61.79 60.32 3k77 h SER 75 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3k77 h SER 75 CO 0.42 0.01 0.50 0.00 -0.87 0.00 0.00 176.83 176.89 3k77 s ALA 76 N -3.13 3.33 -1.10 5.18 0.00 -1.26 -2.93 121.76 121.86 3k77 s ALA 76 Ca 0.09 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3k77 s ALA 76 Cb 0.11 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3k77 s ALA 76 CO 0.62 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.46 3k77 n GLY 77 N 2.90 -0.04 5.11 0.00 0.00 -1.26 -4.75 105.19 107.15 3k77 n GLY 77 Ca 0.07 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.77 3k77 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k77 n GLY 78 N -1.04 -1.50 2.80 -0.02 0.00 -1.15 -4.87 105.19 99.40 3k77 n GLY 78 Ca -0.15 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 3k77 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k77 s ALA 79 N -1.76 -0.47 0.70 4.61 0.00 -1.26 -4.57 121.76 119.02 3k77 s ALA 79 Ca 0.00 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.40 3k77 s ALA 79 Cb 0.00 -1.39 0.12 0.00 0.00 0.00 0.00 23.12 21.85 3k77 s ALA 79 CO 0.00 -1.20 0.97 0.20 0.00 0.00 0.00 175.76 175.73 3k77 s GLY 80 N 2.38 1.75 0.08 0.00 0.00 -1.26 -4.95 107.32 105.32 3k77 s GLY 80 Ca 0.08 -1.82 -0.30 0.00 0.00 0.00 0.00 44.72 42.68 3k77 s GLY 80 CO -0.13 -1.26 1.66 0.83 0.00 0.00 0.00 173.10 174.21 3k77 h GLU 81 N -0.44 -0.60 -0.55 2.90 4.39 -2.01 -2.12 114.58 116.15 3k77 h GLU 81 Ca -0.35 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.39 3k77 h GLU 81 Cb 1.27 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 3k77 h GLU 81 CO 0.40 -0.40 0.00 1.04 -1.16 0.00 0.00 179.01 178.89 3k77 n GLN 82 N -5.36 0.80 -0.07 2.33 1.13 -1.26 -3.37 117.38 111.58 3k77 n GLN 82 Ca -0.11 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 54.91 3k77 n GLN 82 Cb 0.26 -1.28 -0.14 0.00 0.11 0.00 0.00 30.24 29.19 3k77 n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3k77 n ASP 83 N -0.08 0.55 -4.71 1.08 4.64 -0.80 -4.94 116.55 112.30 3k77 n ASP 83 Ca 0.00 0.00 -0.42 0.00 -1.38 0.00 0.00 54.79 52.99 3k77 n ASP 83 Cb 0.14 1.21 -0.03 0.00 -1.04 0.00 0.00 41.12 41.40 3k77 n ASP 83 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 3k77 s TYR 84 N -2.69 3.63 0.26 -0.67 1.51 -1.22 -4.77 117.35 113.40 3k77 s TYR 84 Ca -0.08 1.67 -0.17 0.00 -1.01 0.00 0.00 57.07 57.48 3k77 s TYR 84 Cb 0.07 -3.14 -0.08 0.00 -0.11 0.00 0.00 41.96 38.70 3k77 s TYR 84 CO 0.76 -0.08 0.71 -2.00 -1.11 0.00 0.00 175.55 173.83 3k77 s GLU 85 N 1.22 4.10 -0.09 -0.62 2.56 0.93 -4.84 118.70 121.96 3k77 s GLU 85 Ca 0.51 0.72 -0.29 0.00 0.00 0.00 0.00 54.97 55.92 3k77 s GLU 85 Cb -0.21 -2.67 -0.02 0.00 2.00 0.00 0.00 34.13 33.24 3k77 s GLU 85 CO 0.26 0.29 0.95 0.08 -0.56 0.00 0.00 175.26 176.28 3k77 s VAL 86 N -1.74 4.83 -0.26 3.70 1.01 -1.26 0.97 120.40 127.66 3k77 s VAL 86 Ca 0.48 1.94 -0.15 0.00 0.00 0.00 0.00 61.98 64.25 3k77 s VAL 86 Cb -0.13 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 31.86 3k77 s VAL 86 CO 0.19 0.06 -0.33 -0.11 0.00 0.00 0.00 175.10 174.91 3k77 n LEU 87 N 4.72 1.95 -4.24 3.92 7.94 0.03 -4.61 117.00 126.71 3k77 n LEU 87 Ca 0.07 0.35 -0.36 0.00 -1.11 0.00 0.00 56.01 54.95 3k77 n LEU 87 Cb 0.49 -0.81 -0.13 0.00 0.53 0.00 0.00 43.42 43.50 3k77 n LEU 87 CO 0.51 0.41 -0.31 -0.22 -1.11 0.00 0.00 177.39 176.66 3k77 s LEU 88 N -7.61 3.94 0.72 -1.96 2.96 -0.10 -0.36 118.68 116.28 3k77 s LEU 88 Ca -0.36 -1.08 -0.16 0.00 -0.22 0.00 0.00 54.13 52.31 3k77 s LEU 88 Cb 0.12 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 45.06 3k77 s LEU 88 CO 0.48 -0.26 1.25 0.54 -1.32 0.00 0.00 176.35 177.05 3k77 s VAL 89 N 1.36 2.05 -0.47 1.68 0.11 -1.26 -1.74 120.40 122.12 3k77 s VAL 89 Ca -0.02 0.03 -0.45 0.00 -2.93 0.00 0.00 61.98 58.61 3k77 s VAL 89 Cb -0.19 -2.74 -0.19 0.00 -1.53 0.00 0.00 36.38 31.74 3k77 s VAL 89 CO 0.00 -0.01 1.82 0.41 -3.33 0.00 0.00 175.10 174.00 3k77 n THR 90 N -2.56 0.04 -4.82 5.04 -1.04 -1.26 -4.78 114.28 104.89 3k77 n THR 90 Ca 0.15 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.83 3k77 n THR 90 Cb 0.49 -0.62 -0.13 0.00 -1.82 0.00 0.00 70.33 68.25 3k77 n THR 90 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3k77 s SER 91 N 4.27 3.76 0.19 8.00 0.01 0.05 -4.92 113.70 125.05 3k77 s SER 91 Ca 1.10 -0.36 -0.24 0.00 1.31 0.00 0.00 55.95 57.75 3k77 s SER 91 Cb -1.43 -0.64 -0.08 0.00 0.21 0.00 0.00 66.02 64.07 3k77 s SER 91 CO 0.74 0.29 0.77 -0.55 0.41 0.00 0.00 173.24 174.90 3k77 s SER 92 N -1.12 7.32 0.00 2.44 0.15 -1.26 -1.22 113.70 120.01 3k77 s SER 92 Ca 0.13 1.61 0.00 0.00 0.70 0.00 0.00 55.95 58.39 3k77 s SER 92 Cb -0.10 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 3k77 s SER 92 CO 0.03 0.16 0.00 0.49 1.20 0.00 0.00 173.24 175.12 3k77 n PHE 93 N 1.36 0.00 -3.64 3.44 3.72 -0.17 -4.97 117.46 117.20 3k77 n PHE 93 Ca -0.05 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.24 3k77 n PHE 93 Cb 0.49 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.96 3k77 n PHE 93 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 3k77 s MET 94 N -0.60 0.77 0.72 -1.08 1.75 -1.17 -4.80 119.30 114.89 3k77 s MET 94 Ca 0.00 1.04 -0.09 0.00 -1.25 0.00 0.00 55.69 55.39 3k77 s MET 94 Cb 0.00 0.31 0.06 0.00 2.84 0.00 0.00 34.83 38.03 3k77 s MET 94 CO 0.00 -0.11 1.06 -1.54 -0.65 0.00 0.00 175.02 173.78 3k77 s SER 95 N 0.78 4.87 0.18 1.11 1.04 -1.26 -4.71 113.70 115.71 3k77 s SER 95 Ca -0.03 0.65 -0.13 0.00 0.48 0.00 0.00 55.95 56.92 3k77 s SER 95 Cb -0.05 -1.30 0.15 0.00 0.10 0.00 0.00 66.02 64.91 3k77 s SER 95 CO -0.06 -1.61 1.79 -0.65 0.98 0.00 0.00 173.24 173.69 3k77 h PRO 96 N -0.70 0.52 -0.33 4.02 0.11 -1.97 0.24 132.00 133.88 3k77 h PRO 96 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3k77 h PRO 96 Cb 1.31 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3k77 h PRO 96 CO 0.62 0.34 0.14 0.77 -0.21 0.00 0.00 178.00 179.67 3k77 h SER 97 N 0.53 0.46 -0.29 -2.05 0.02 -1.96 0.20 113.55 110.46 3k77 h SER 97 Ca 0.23 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3k77 h SER 97 Cb 0.13 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3k77 h SER 97 CO -0.15 0.49 0.08 -0.33 -1.14 0.00 0.00 176.83 175.77 3k77 h GLU 98 N 0.40 0.46 -0.72 3.45 5.08 -1.83 -1.33 114.58 120.08 3k77 h GLU 98 Ca 0.11 -0.11 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 3k77 h GLU 98 Cb 0.17 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 3k77 h GLU 98 CO -0.01 0.53 0.39 0.77 -1.00 0.00 0.00 179.01 179.69 3k77 h SER 99 N 0.30 0.56 -0.58 1.42 0.02 -0.14 1.64 113.55 116.77 3k77 h SER 99 Ca 0.09 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3k77 h SER 99 Cb 0.27 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3k77 h SER 99 CO -0.00 0.34 -0.00 0.03 -1.14 0.00 0.00 176.83 176.06 3k77 h ARG 100 N 0.69 1.04 0.00 3.45 3.08 -0.37 -3.23 114.38 119.04 3k77 h ARG 100 Ca 0.34 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3k77 h ARG 100 Cb 0.29 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3k77 h ARG 100 CO -0.23 1.02 -1.14 -1.13 -1.07 0.00 0.00 179.97 177.42 3k77 n SER 101 N -4.18 0.58 0.00 7.04 3.41 -0.52 -4.98 113.62 114.97 3k77 n SER 101 Ca 0.03 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3k77 n SER 101 Cb 0.34 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 65.23 3k77 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k77 n GLY 102 N 1.36 0.50 3.76 5.00 0.00 0.55 -5.05 105.19 111.32 3k77 n GLY 102 Ca 0.01 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 3k77 n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k77 s SER 103 N -2.82 7.28 -1.12 1.61 0.01 -0.52 -4.28 113.70 113.86 3k77 s SER 103 Ca 0.00 1.52 -0.14 0.00 1.31 0.00 0.00 55.95 58.64 3k77 s SER 103 Cb 0.00 -2.47 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 3k77 s SER 103 CO 0.00 0.11 0.83 0.59 0.41 0.00 0.00 173.24 175.18 3k77 n ASN 104 N 2.24 -5.40 0.06 2.44 4.13 -1.26 -4.61 115.26 112.86 3k77 n ASN 104 Ca -0.04 -0.90 0.13 0.00 1.68 0.00 0.00 54.58 55.45 3k77 n ASN 104 Cb 0.50 -4.06 0.35 0.00 -1.54 0.00 0.00 39.78 35.03 3k77 n ASN 104 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3k77 n PRO 105 N -3.87 0.19 -0.24 3.52 -0.02 -1.26 -4.21 135.00 129.11 3k77 n PRO 105 Ca -0.10 0.11 0.07 0.00 -2.02 0.00 0.00 63.50 61.56 3k77 n PRO 105 Cb 0.61 -1.68 0.20 0.00 -0.02 0.00 0.00 33.50 32.61 3k77 n PRO 105 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3k77 n ASN 106 N -1.99 3.22 -4.64 2.55 5.03 -1.26 -1.43 115.26 116.74 3k77 n ASN 106 Ca 0.05 -2.03 -0.50 0.00 0.87 0.00 0.00 54.58 52.97 3k77 n ASN 106 Cb 0.41 -0.30 -0.05 0.00 -1.02 0.00 0.00 39.78 38.81 3k77 n ASN 106 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 3k77 n ARG 107 N 0.76 1.57 -4.29 3.52 0.63 -1.26 -4.23 116.66 113.36 3k77 n ARG 107 Ca 0.15 0.57 -0.34 0.00 -0.92 0.00 0.00 57.85 57.31 3k77 n ARG 107 Cb 0.49 -2.28 -0.11 0.00 0.45 0.00 0.00 32.46 31.02 3k77 n ARG 107 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3k77 s VAL 108 N 1.32 4.26 -0.03 5.15 0.11 -1.26 -1.27 120.40 128.68 3k77 s VAL 108 Ca 0.85 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.70 3k77 s VAL 108 Cb -0.85 -2.86 -0.00 0.00 -1.53 0.00 0.00 36.38 31.13 3k77 s VAL 108 CO 0.47 0.52 -0.12 -0.13 -3.33 0.00 0.00 175.10 172.50 3k77 s ARG 109 N -0.01 1.24 -0.10 1.54 0.52 0.02 -4.97 118.95 117.18 3k77 s ARG 109 Ca 0.03 -0.43 -0.04 0.00 -0.52 0.00 0.00 55.73 54.78 3k77 s ARG 109 Cb -0.13 -1.13 -0.04 0.00 0.52 0.00 0.00 34.95 34.17 3k77 s ARG 109 CO 0.02 0.18 0.04 1.41 0.02 0.00 0.00 175.30 176.97 3k77 s MET 110 N 0.07 3.20 -0.30 3.54 1.75 -1.26 -1.09 119.30 125.21 3k77 s MET 110 Ca -0.02 -0.34 0.00 0.00 -1.25 0.00 0.00 55.69 54.08 3k77 s MET 110 Cb -0.09 -2.93 0.09 0.00 2.84 0.00 0.00 34.83 34.75 3k77 s MET 110 CO 0.01 0.67 0.07 -0.06 -0.65 0.00 0.00 175.02 175.05 3k77 s PHE 111 N -0.76 2.24 0.81 4.11 0.40 0.62 -4.99 117.98 120.40 3k77 s PHE 111 Ca 0.12 -2.00 -0.14 0.00 -0.60 0.00 0.00 56.93 54.31 3k77 s PHE 111 Cb -0.12 -1.96 0.19 0.00 0.51 0.00 0.00 43.02 41.65 3k77 s PHE 111 CO 0.02 -0.87 0.91 0.41 0.70 0.00 0.00 175.22 176.39 3k77 n GLY 112 N 4.70 -2.00 0.30 4.36 0.00 -1.26 -0.92 105.19 110.37 3k77 n GLY 112 Ca -0.02 -1.60 0.13 0.00 0.00 0.00 0.00 46.02 44.53 3k77 n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k77 h PRO 113 N 0.00 0.00 0.00 1.61 0.11 -1.87 -1.51 132.00 130.34 3k77 h PRO 113 Ca -0.31 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3k77 h PRO 113 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3k77 h PRO 113 CO 0.21 0.00 -0.05 0.38 -0.21 0.00 0.00 178.00 178.34 3k77 h ASP 114 N 0.00 0.00 0.12 -2.05 -0.00 -1.92 -3.25 116.42 109.32 3k77 h ASP 114 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.11 3k77 h ASP 114 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.66 3k77 h ASP 114 CO -0.00 0.05 -0.72 0.29 -0.00 0.00 0.00 179.24 178.86 3k77 n LYS 115 N -3.11 0.34 -3.25 4.15 5.02 -0.58 -4.91 118.16 115.81 3k77 n LYS 115 Ca 0.03 -0.26 -0.28 0.00 -2.02 0.00 0.00 58.31 55.79 3k77 n LYS 115 Cb 0.53 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 3k77 n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3k77 s LEU 116 N -2.84 4.00 0.03 -0.35 1.43 -1.15 -4.71 118.68 115.09 3k77 s LEU 116 Ca 0.12 0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 53.65 3k77 s LEU 116 Cb 0.17 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.78 3k77 s LEU 116 CO 0.74 -0.25 1.25 0.68 0.23 0.00 0.00 176.35 179.00 3k77 s VAL 117 N -2.19 3.98 -0.56 -1.59 -7.23 0.51 -4.93 120.40 108.40 3k77 s VAL 117 Ca 0.44 1.39 0.24 0.00 -1.81 0.00 0.00 61.98 62.24 3k77 s VAL 117 Cb -0.10 -3.89 0.23 0.00 0.56 0.00 0.00 36.38 33.17 3k77 s VAL 117 CO 0.32 0.06 1.55 0.03 -0.31 0.00 0.00 175.10 176.75 3k77 h ARG 118 N 7.15 0.00 0.00 4.82 3.08 -1.89 0.89 114.38 128.43 3k77 h ARG 118 Ca -0.39 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.66 3k77 h ARG 118 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3k77 h ARG 118 CO 0.85 0.00 -0.00 0.00 -1.07 0.00 0.00 179.97 179.75 3k77 h ALA 119 N 2.28 -0.00 -0.20 0.04 0.00 -1.94 -1.91 119.26 117.52 3k77 h ALA 119 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 3k77 h ALA 119 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3k77 h ALA 119 CO 0.00 -0.36 -0.64 0.00 0.00 0.00 0.00 179.25 178.25 3k77 h ALA 120 N 0.71 0.47 0.00 0.00 0.00 -1.80 -3.16 119.26 115.48 3k77 h ALA 120 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3k77 h ALA 120 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3k77 h ALA 120 CO 0.00 0.69 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3k77 n ALA 121 N -2.57 1.60 0.08 0.00 0.00 0.30 -2.60 120.51 117.33 3k77 n ALA 121 Ca -0.05 0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3k77 n ALA 121 Cb 0.67 -1.34 -0.09 0.00 0.00 0.00 0.00 19.45 18.70 3k77 n ALA 121 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3k77 h GLU 122 N 0.00 0.08 -7.02 0.00 4.57 -1.30 -3.42 114.58 107.48 3k77 h GLU 122 Ca 0.00 -0.11 -0.45 0.00 -1.18 0.00 0.00 59.36 57.61 3k77 h GLU 122 Cb 0.31 0.04 0.07 0.00 -0.16 0.00 0.00 28.75 29.00 3k77 h GLU 122 CO 0.00 1.01 0.06 0.15 -1.18 0.00 0.00 179.01 179.05 3k77 s LYS 123 N -2.83 2.09 -0.02 1.92 1.02 -1.07 -5.04 119.74 115.81 3k77 s LYS 123 Ca -0.01 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.09 3k77 s LYS 123 Cb 0.10 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 3k77 s LYS 123 CO 0.83 -1.12 0.07 1.03 -0.92 0.00 0.00 175.35 175.24 3k77 s ARG 124 N -4.99 3.05 0.16 1.68 0.52 -1.26 -4.44 118.95 113.67 3k77 s ARG 124 Ca 0.62 -0.47 -0.03 0.00 -0.52 0.00 0.00 55.73 55.33 3k77 s ARG 124 Cb -0.08 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.51 3k77 s ARG 124 CO 0.42 0.66 0.14 -1.58 0.02 0.00 0.00 175.30 174.95 3k77 s TRP 125 N -1.15 0.86 0.00 -0.53 0.52 0.31 -4.82 118.94 114.12 3k77 s TRP 125 Ca 0.21 -1.18 0.00 0.00 0.02 0.00 0.00 56.10 55.15 3k77 s TRP 125 Cb -0.12 -0.40 0.00 0.00 -1.15 0.00 0.00 33.47 31.80 3k77 s TRP 125 CO 0.12 -0.61 0.33 -0.40 0.02 0.00 0.00 176.95 176.41 3k77 n ASP 126 N -0.18 0.30 -4.29 2.95 5.75 -1.14 0.18 116.55 120.13 3k77 n ASP 126 Ca -0.03 -1.09 -0.24 0.00 -0.01 0.00 0.00 54.79 53.42 3k77 n ASP 126 Cb 0.64 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.61 3k77 n ASP 126 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3k77 s ARG 127 N -0.09 1.13 -0.09 0.11 1.81 -0.65 -0.51 118.95 120.66 3k77 s ARG 127 Ca 0.00 -1.18 -0.04 0.00 -1.72 0.00 0.00 55.73 52.79 3k77 s ARG 127 Cb 0.00 -1.38 0.05 0.00 -0.45 0.00 0.00 34.95 33.17 3k77 s ARG 127 CO 0.00 0.32 0.18 0.08 -0.68 0.00 0.00 175.30 175.20 3k77 s VAL 128 N -1.23 -0.28 -0.20 3.52 1.01 -0.02 -2.29 120.40 120.90 3k77 s VAL 128 Ca 0.07 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.32 3k77 s VAL 128 Cb -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 3k77 s VAL 128 CO 0.04 0.14 0.02 -0.75 0.00 0.00 0.00 175.10 174.55 3k77 s LYS 129 N 2.26 3.68 -0.22 2.72 2.20 0.09 0.39 119.74 130.87 3k77 s LYS 129 Ca 0.02 -0.49 -0.04 0.00 -0.36 0.00 0.00 55.97 55.11 3k77 s LYS 129 Cb -0.12 -3.14 -0.01 0.00 -1.51 0.00 0.00 37.83 33.06 3k77 s LYS 129 CO -0.06 0.03 -0.05 0.42 -0.36 0.00 0.00 175.35 175.32 3k77 s ILE 130 N 0.99 3.30 -0.19 5.43 1.01 -0.42 -0.07 121.20 131.25 3k77 s ILE 130 Ca 0.02 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 3k77 s ILE 130 Cb -0.14 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 3k77 s ILE 130 CO 0.02 0.43 -0.02 -0.69 0.00 0.00 0.00 174.94 174.68 3k77 s VAL 131 N 1.47 3.81 -0.09 2.92 1.01 0.52 -2.26 120.40 127.77 3k77 s VAL 131 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3k77 s VAL 131 Cb -0.14 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3k77 s VAL 131 CO -0.04 0.44 -0.09 0.00 0.00 0.00 0.00 175.10 175.42 3k77 s SER 133 N -0.32 2.68 -0.43 0.00 0.01 -0.37 -1.08 113.70 114.20 3k77 s SER 133 Ca 0.04 -0.62 0.04 0.00 1.31 0.00 0.00 55.95 56.72 3k77 s SER 133 Cb -0.13 -0.19 0.17 0.00 0.21 0.00 0.00 66.02 66.08 3k77 s SER 133 CO 0.02 0.14 0.44 -1.58 0.41 0.00 0.00 173.24 172.68 3k77 s GLN 134 N -1.57 0.86 0.17 12.44 2.00 0.10 -0.22 119.66 133.45 3k77 s GLN 134 Ca 0.08 -1.48 0.25 0.00 -2.00 0.00 0.00 55.36 52.22 3k77 s GLN 134 Cb -0.10 -0.87 0.54 0.00 0.80 0.00 0.00 33.01 33.39 3k77 s GLN 134 CO 0.03 -1.32 1.52 -1.35 -0.50 0.00 0.00 175.29 173.68 3k77 h PRO 135 N 5.91 0.00 0.00 1.67 0.11 -1.93 -3.36 132.00 134.41 3k77 h PRO 135 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3k77 h PRO 135 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3k77 h PRO 135 CO 0.23 0.00 -0.78 0.66 -0.21 0.00 0.00 178.00 177.90 3k77 n TYR 136 N -2.21 0.11 -3.69 0.65 4.01 -1.26 -4.88 117.16 109.89 3k77 n TYR 136 Ca 0.04 0.03 -0.10 0.00 -0.16 0.00 0.00 57.90 57.71 3k77 n TYR 136 Cb 0.44 -0.28 -0.11 0.00 -0.31 0.00 0.00 39.34 39.09 3k77 n TYR 136 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3k77 s SER 137 N -3.35 -0.50 -0.07 7.72 0.15 -1.26 -4.35 113.70 112.04 3k77 s SER 137 Ca 0.08 0.89 0.13 0.00 0.70 0.00 0.00 55.95 57.75 3k77 s SER 137 Cb 0.16 0.80 0.42 0.00 -1.71 0.00 0.00 66.02 65.68 3k77 s SER 137 CO 0.77 -0.20 1.34 0.29 1.20 0.00 0.00 173.24 176.65 3k77 n LYS 138 N 4.33 2.96 0.14 5.44 5.02 -1.26 -4.64 118.16 130.14 3k77 n LYS 138 Ca -0.23 -2.40 0.01 0.00 -2.02 0.00 0.00 58.31 53.68 3k77 n LYS 138 Cb 0.55 -1.52 0.12 0.00 -0.02 0.00 0.00 35.03 34.15 3k77 n LYS 138 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3k77 h ASP 139 N 2.10 0.00 -5.15 4.39 3.32 -1.94 -3.09 116.42 116.04 3k77 h ASP 139 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3k77 h ASP 139 Cb 1.04 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.42 3k77 h ASP 139 CO 0.10 0.56 -0.65 -0.44 -1.72 0.00 0.00 179.24 177.09 3k77 s SER 140 N -6.53 0.37 0.53 6.45 0.01 -1.26 -4.90 113.70 108.37 3k77 s SER 140 Ca 0.02 -0.80 -0.21 0.00 1.31 0.00 0.00 55.95 56.26 3k77 s SER 140 Cb 0.10 0.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.45 3k77 s SER 140 CO 0.74 -0.52 1.23 -2.84 0.41 0.00 0.00 173.24 172.26 3k77 s PRO 141 N -3.13 3.34 0.14 12.44 0.02 -1.26 -3.98 135.00 142.56 3k77 s PRO 141 Ca -0.00 1.91 -0.01 0.00 0.02 0.00 0.00 61.00 62.91 3k77 s PRO 141 Cb 0.02 -2.20 -0.04 0.00 0.02 0.00 0.00 34.50 32.30 3k77 s PRO 141 CO -0.07 -0.93 0.07 -0.59 -0.33 0.00 0.00 177.00 175.15 3k77 s PHE 142 N -1.50 0.85 -0.03 6.54 -0.12 -1.26 -4.89 117.98 117.56 3k77 s PHE 142 Ca 0.70 -1.22 0.00 0.00 -0.05 0.00 0.00 56.93 56.36 3k77 s PHE 142 Cb -0.32 -0.46 0.00 0.00 -0.63 0.00 0.00 43.02 41.61 3k77 s PHE 142 CO 0.37 -0.54 0.00 0.41 -0.05 0.00 0.00 175.22 175.42 3k77 n GLY 143 N -0.11 -1.03 3.32 1.99 0.00 -0.26 -1.75 105.19 107.36 3k77 n GLY 143 Ca -0.05 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 3k77 n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k77 s LEU 144 N 0.00 2.39 -0.12 0.99 1.43 -0.55 -2.19 118.68 120.63 3k77 s LEU 144 Ca 0.00 -0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 52.16 3k77 s LEU 144 Cb 0.00 -0.88 -0.26 0.00 0.03 0.00 0.00 46.19 45.08 3k77 s LEU 144 CO 0.00 0.01 0.48 -1.28 0.23 0.00 0.00 176.35 175.79 3k77 h SER 145 N 3.56 0.35 -5.04 2.29 0.87 0.68 -1.29 113.55 114.95 3k77 h SER 145 Ca -0.44 -0.83 0.04 0.00 -1.23 0.00 0.00 61.79 59.33 3k77 h SER 145 Cb 1.20 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.01 3k77 h SER 145 CO 0.46 1.66 0.28 0.72 -0.53 0.00 0.00 176.83 179.42 3k77 s PHE 146 N -2.48 -0.04 -0.19 2.24 -0.12 -1.11 -4.21 117.98 112.07 3k77 s PHE 146 Ca -0.21 -0.50 -0.12 0.00 -0.05 0.00 0.00 56.93 56.05 3k77 s PHE 146 Cb 0.05 0.76 0.06 0.00 -0.63 0.00 0.00 43.02 43.26 3k77 s PHE 146 CO 0.75 -1.34 0.46 0.54 -0.05 0.00 0.00 175.22 175.58 3k77 s VAL 147 N -3.10 -0.02 -0.11 -2.49 0.11 -1.26 -1.44 120.40 112.09 3k77 s VAL 147 Ca 0.13 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.25 3k77 s VAL 147 Cb -0.05 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 3k77 s VAL 147 CO 0.09 0.02 -0.12 -0.13 -3.33 0.00 0.00 175.10 171.63 3k77 s ARG 148 N 1.19 1.93 0.00 1.54 0.52 -0.39 -4.58 118.95 119.16 3k77 s ARG 148 Ca -0.08 -0.44 0.01 0.00 -0.52 0.00 0.00 55.73 54.70 3k77 s ARG 148 Cb -0.07 -1.75 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 3k77 s ARG 148 CO -0.11 -0.14 0.03 -0.06 0.02 0.00 0.00 175.30 175.05 3k77 s PHE 149 N 1.23 3.16 -0.01 -0.53 0.08 -1.26 -0.62 117.98 120.03 3k77 s PHE 149 Ca -0.03 0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.18 3k77 s PHE 149 Cb -0.14 -1.69 -0.01 0.00 -0.57 0.00 0.00 43.02 40.61 3k77 s PHE 149 CO -0.04 0.50 -0.11 -1.01 -0.10 0.00 0.00 175.22 174.46 3k77 s HIS 150 N -1.14 0.94 0.60 0.36 3.76 -0.92 -0.43 115.29 118.46 3k77 s HIS 150 Ca 0.21 -0.18 -0.06 0.00 -0.15 0.00 0.00 55.06 54.88 3k77 s HIS 150 Cb -0.12 -0.61 0.01 0.00 1.11 0.00 0.00 32.58 32.98 3k77 s HIS 150 CO 0.12 -0.02 0.90 -1.54 -0.85 0.00 0.00 174.74 173.36 3k77 s SER 151 N -0.27 5.53 0.52 1.40 1.04 0.77 0.06 113.70 122.75 3k77 s SER 151 Ca 0.04 0.68 -0.22 0.00 0.48 0.00 0.00 55.95 56.93 3k77 s SER 151 Cb -0.04 -1.65 -0.06 0.00 0.10 0.00 0.00 66.02 64.37 3k77 s SER 151 CO -0.00 -1.10 1.28 -2.65 0.98 0.00 0.00 173.24 171.75 3k77 n PRO 152 N -2.60 1.64 0.00 4.02 -0.02 -1.25 -3.03 135.00 133.76 3k77 n PRO 152 Ca 0.05 0.60 0.16 0.00 -2.02 0.00 0.00 63.50 62.29 3k77 n PRO 152 Cb 0.58 -2.47 0.94 0.00 -0.02 0.00 0.00 33.50 32.53 3k77 n PRO 152 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18