#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 4.18 0.14 -0.52 2.12 -1.26 -0.14 118.70 123.22 3k77 s GLU 3 Ca 0.00 2.46 -0.28 0.00 0.36 0.00 0.00 54.97 57.51 3k77 s GLU 3 Cb 0.00 -3.08 -0.07 0.00 0.26 0.00 0.00 34.13 31.24 3k77 s GLU 3 CO 0.00 -0.59 0.88 0.42 -0.54 0.00 0.00 175.26 175.43 3k77 s ILE 4 N 0.43 4.41 -0.03 -3.70 1.01 0.47 -4.81 121.20 118.97 3k77 s ILE 4 Ca 0.65 1.92 -0.17 0.00 0.00 0.00 0.00 60.65 63.05 3k77 s ILE 4 Cb -0.46 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 37.71 3k77 s ILE 4 CO 0.41 0.41 0.47 -0.13 0.00 0.00 0.00 174.94 176.10 3k77 s ARG 5 N -0.53 4.16 -0.19 2.79 0.52 -1.26 -4.67 118.95 119.76 3k77 s ARG 5 Ca 0.42 0.50 -0.06 0.00 -0.52 0.00 0.00 55.73 56.07 3k77 s ARG 5 Cb -0.23 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.89 3k77 s ARG 5 CO 0.28 0.46 0.03 -0.51 0.02 0.00 0.00 175.30 175.58 3k77 s LEU 6 N -0.38 3.48 -0.09 2.53 1.43 -1.26 -1.90 118.68 122.49 3k77 s LEU 6 Ca 0.26 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3k77 s LEU 6 Cb -0.17 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3k77 s LEU 6 CO 0.13 0.10 0.09 -0.09 0.23 0.00 0.00 176.35 176.81 3k77 h ARG 7 N 7.21 -0.07 -3.46 1.70 2.43 -0.09 -3.45 114.38 118.65 3k77 h ARG 7 Ca -0.35 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.75 3k77 h ARG 7 Cb 1.18 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.69 3k77 h ARG 7 CO 0.64 -0.05 0.03 -3.38 -1.51 0.00 0.00 179.97 175.70 3k77 s HIS 8 N -1.77 0.34 -0.27 2.20 -3.43 -1.16 -5.00 115.29 106.19 3k77 s HIS 8 Ca -0.01 -0.77 -0.20 0.00 -0.80 0.00 0.00 55.06 53.28 3k77 s HIS 8 Cb 0.00 0.40 -0.02 0.00 -1.43 0.00 0.00 32.58 31.53 3k77 s HIS 8 CO 0.03 -1.22 0.60 0.08 -2.00 0.00 0.00 174.74 172.23 3k77 s VAL 9 N -3.37 4.99 0.02 -5.38 1.01 -1.26 -0.08 120.40 116.33 3k77 s VAL 9 Ca 0.20 0.98 -0.17 0.00 0.00 0.00 0.00 61.98 63.00 3k77 s VAL 9 Cb -0.03 -3.93 -0.35 0.00 0.00 0.00 0.00 36.38 32.07 3k77 s VAL 9 CO 0.12 -0.01 0.98 0.58 0.00 0.00 0.00 175.10 176.77 3k77 h VAL 10 N 5.45 1.30 -3.27 2.92 2.07 -0.32 -3.48 116.25 120.92 3k77 h VAL 10 Ca -0.27 -2.68 -0.03 0.00 0.82 0.00 0.00 66.70 64.54 3k77 h VAL 10 Cb 1.13 3.06 -0.12 0.00 -1.52 0.00 0.00 31.29 33.84 3k77 h VAL 10 CO 0.77 0.80 0.03 -0.94 0.02 0.00 0.00 177.57 178.25 3k77 s SER 11 N -7.53 -0.32 -0.19 0.57 1.04 -1.17 -4.96 113.70 101.13 3k77 s SER 11 Ca -0.10 -0.30 -0.10 0.00 0.48 0.00 0.00 55.95 55.93 3k77 s SER 11 Cb 0.04 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.76 3k77 s SER 11 CO 0.94 -0.95 0.46 0.00 0.98 0.00 0.00 173.24 174.66 3k77 h SER 13 N 7.24 0.00 -2.67 0.00 4.64 -0.76 -3.46 113.55 118.54 3k77 h SER 13 Ca -0.33 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.11 3k77 h SER 13 Cb 1.18 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.99 3k77 h SER 13 CO 0.25 0.20 0.54 -0.55 -0.87 0.00 0.00 176.83 176.40 3k77 s SER 14 N -6.21 -0.36 0.07 4.97 0.15 -1.26 -4.89 113.70 106.17 3k77 s SER 14 Ca 0.04 0.64 -0.18 0.00 0.70 0.00 0.00 55.95 57.14 3k77 s SER 14 Cb 0.08 0.87 0.04 0.00 -1.71 0.00 0.00 66.02 65.30 3k77 s SER 14 CO 0.67 -0.11 0.43 0.00 1.20 0.00 0.00 173.24 175.43 3k77 s GLN 15 N 0.66 0.99 0.60 5.44 -2.07 -1.26 -4.46 119.66 119.56 3k77 s GLN 15 Ca -0.01 -0.44 -0.07 0.00 -1.82 0.00 0.00 55.36 53.02 3k77 s GLN 15 Cb -0.04 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.32 3k77 s GLN 15 CO -0.11 -0.36 0.93 0.34 -1.32 0.00 0.00 175.29 174.76 3k77 s ASP 16 N -2.24 5.65 0.20 12.60 3.68 -0.17 -3.36 116.67 133.02 3k77 s ASP 16 Ca -0.03 0.82 0.02 0.00 2.13 0.00 0.00 52.55 55.49 3k77 s ASP 16 Cb -0.00 -1.81 0.14 0.00 -1.45 0.00 0.00 42.92 39.80 3k77 s ASP 16 CO -0.05 -1.06 1.48 0.77 0.13 0.00 0.00 175.17 176.44 3k77 h SER 17 N -0.22 0.33 0.00 -0.34 4.64 -1.93 -3.25 113.55 112.78 3k77 h SER 17 Ca -0.45 -0.21 -0.32 0.00 -0.47 0.00 0.00 61.79 60.33 3k77 h SER 17 Cb 1.25 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 63.19 3k77 h SER 17 CO 0.61 0.92 -1.84 0.35 -0.87 0.00 0.00 176.83 176.00 3k77 n THR 18 N -3.82 1.52 -2.38 2.95 -2.24 -1.26 -4.63 114.28 104.43 3k77 n THR 18 Ca -0.03 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.14 3k77 n THR 18 Cb 0.68 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 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 -4.35 3.29 -3.32 4.78 8.25 -1.26 -4.88 115.22 117.72 3k77 n HIS 19 Ca -0.41 -2.88 -0.21 0.00 -0.26 0.00 0.00 57.72 53.96 3k77 n HIS 19 Cb 0.75 -2.04 -0.00 0.00 1.12 0.00 0.00 29.99 29.82 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 0.71 2.02 -0.25 0.00 0.00 -1.86 -1.80 119.26 118.07 3k77 h ALA 21 Ca -0.47 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.52 3k77 h ALA 21 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3k77 h ALA 21 CO 0.56 -0.23 0.30 1.05 0.00 0.00 0.00 179.25 180.93 3k77 h GLU 22 N 0.50 0.00 0.00 0.00 4.11 -1.94 -0.85 114.58 116.40 3k77 h GLU 22 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.82 3k77 h GLU 22 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3k77 h GLU 22 CO -0.14 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.03 3k77 n ASN 23 N -3.69 0.53 0.02 3.06 3.02 -0.68 -2.58 115.26 114.95 3k77 n ASN 23 Ca 0.03 0.67 0.12 0.00 -0.03 0.00 0.00 54.58 55.37 3k77 n ASN 23 Cb 0.44 -0.77 0.13 0.00 -0.61 0.00 0.00 39.78 38.97 3k77 n ASN 23 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3k77 n LEU 24 N -2.13 0.62 0.23 3.41 4.77 -0.32 -4.17 117.00 119.40 3k77 n LEU 24 Ca 0.01 0.03 0.06 0.00 -0.03 0.00 0.00 56.01 56.08 3k77 n LEU 24 Cb 0.15 -0.17 0.53 0.00 -2.33 0.00 0.00 43.42 41.60 3k77 n LEU 24 CO 0.15 0.06 0.92 -0.07 -1.33 0.00 0.00 177.39 177.11 3k77 h LEU 25 N 0.00 0.00 -7.73 2.23 3.38 -1.67 -3.40 115.31 108.11 3k77 h LEU 25 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 3k77 h LEU 25 Cb 0.64 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.05 3k77 h LEU 25 CO 0.00 0.16 -0.77 -0.54 0.09 0.00 0.00 178.44 177.38 3k77 s LYS 26 N -4.63 0.81 0.53 1.13 1.02 -1.26 -4.21 119.74 113.13 3k77 s LYS 26 Ca -0.04 -0.10 0.31 0.00 0.02 0.00 0.00 55.97 56.17 3k77 s LYS 26 Cb 0.16 -0.83 1.33 0.00 -0.52 0.00 0.00 37.83 37.97 3k77 s LYS 26 CO 0.69 -0.09 1.98 0.00 -0.92 0.00 0.00 175.35 177.01 3k77 h ALA 27 N 7.21 1.04 -0.75 5.17 0.00 -1.81 -3.17 119.26 126.95 3k77 h ALA 27 Ca -0.38 -0.07 0.22 0.00 0.00 0.00 0.00 54.91 54.69 3k77 h ALA 27 Cb 1.15 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3k77 h ALA 27 CO 0.47 0.09 0.55 -0.44 0.00 0.00 0.00 179.25 179.91 3k77 h ASP 28 N 0.00 0.00 0.56 0.00 3.32 -1.95 -3.25 116.42 115.11 3k77 h ASP 28 Ca -0.00 0.00 -0.12 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 -0.59 0.74 -1.72 0.00 0.00 179.24 177.68 3k77 h THR 29 N 0.00 1.42 -1.12 0.35 2.02 -1.88 -3.46 112.91 110.24 3k77 h THR 29 Ca 0.36 -2.01 -0.30 0.00 0.77 0.00 0.00 66.41 65.23 3k77 h THR 29 Cb 1.45 2.07 -0.09 0.00 -1.74 0.00 0.00 68.15 69.84 3k77 h THR 29 CO -0.00 0.57 -0.31 -1.22 0.37 0.00 0.00 175.52 174.94 3k77 n TYR 30 N -3.85 -0.21 -4.10 3.16 0.53 -1.23 -5.00 117.16 106.47 3k77 n TYR 30 Ca -0.01 0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.54 3k77 n TYR 30 Cb 0.59 -2.76 -0.07 0.00 -1.03 0.00 0.00 39.34 36.07 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 -3.69 3.00 0.24 -0.72 0.52 -1.26 -5.13 118.95 111.91 3k77 s ARG 31 Ca 0.00 -0.55 0.07 0.00 -0.52 0.00 0.00 55.73 54.74 3k77 s ARG 31 Cb 0.00 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 3k77 s ARG 31 CO 0.00 0.62 0.13 0.15 0.02 0.00 0.00 175.30 176.22 3k77 s LYS 32 N -1.90 2.74 -0.17 3.54 1.02 -1.26 -4.66 119.74 119.06 3k77 s LYS 32 Ca 0.24 -1.12 -0.02 0.00 0.02 0.00 0.00 55.97 55.09 3k77 s LYS 32 Cb -0.12 -2.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 3k77 s LYS 32 CO 0.16 0.41 -0.07 -0.46 -0.92 0.00 0.00 175.35 174.46 3k77 s TRP 33 N -2.10 2.92 0.07 3.18 -0.00 -0.35 -3.34 118.94 119.32 3k77 s TRP 33 Ca 0.32 -0.64 0.00 0.00 -0.00 0.00 0.00 56.10 55.77 3k77 s TRP 33 Cb -0.08 -1.96 -0.04 0.00 -0.00 0.00 0.00 33.47 31.39 3k77 s TRP 33 CO 0.23 -0.27 -0.04 1.03 -0.00 0.00 0.00 176.95 177.89 3k77 s ARG 34 N 0.73 0.68 0.58 5.86 0.52 0.03 -1.15 118.95 126.19 3k77 s ARG 34 Ca -0.03 -1.23 -0.19 0.00 -0.52 0.00 0.00 55.73 53.76 3k77 s ARG 34 Cb -0.15 0.06 -0.04 0.00 0.52 0.00 0.00 34.95 35.34 3k77 s ARG 34 CO 0.02 -0.07 1.17 0.00 0.02 0.00 0.00 175.30 176.43 3k77 s ALA 35 N -3.70 2.60 0.45 2.13 0.00 -0.64 -1.00 121.76 121.60 3k77 s ALA 35 Ca 0.08 0.90 0.13 0.00 0.00 0.00 0.00 51.96 53.06 3k77 s ALA 35 Cb 0.06 -3.40 1.01 0.00 0.00 0.00 0.00 23.12 20.79 3k77 s ALA 35 CO -0.08 -1.00 2.03 0.00 0.00 0.00 0.00 175.76 176.71 3k77 h ALA 36 N 0.96 1.74 -2.73 0.00 0.00 -1.77 -3.36 119.26 114.11 3k77 h ALA 36 Ca -0.50 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.16 3k77 h ALA 36 Cb 1.28 -0.05 -0.19 0.00 0.00 0.00 0.00 17.79 18.82 3k77 h ALA 36 CO 0.56 0.20 -0.62 0.15 0.00 0.00 0.00 179.25 179.53 3k77 s LYS 37 N -4.91 0.46 0.55 0.00 -0.14 -1.26 -4.83 119.74 109.61 3k77 s LYS 37 Ca -0.05 -0.72 -0.19 0.00 -1.36 0.00 0.00 55.97 53.64 3k77 s LYS 37 Cb 0.16 0.17 -0.05 0.00 -1.68 0.00 0.00 37.83 36.43 3k77 s LYS 37 CO 0.70 -0.09 1.15 0.00 -0.76 0.00 0.00 175.35 176.34 3k77 s ALA 38 N -2.16 2.67 0.00 5.17 0.00 -1.26 -4.00 121.76 122.18 3k77 s ALA 38 Ca -0.09 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3k77 s ALA 38 Cb -0.04 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3k77 s ALA 38 CO -0.03 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.30 3k77 n GLY 39 N 0.23 0.73 3.64 0.00 0.00 -1.13 -4.91 105.19 103.75 3k77 n GLY 39 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.32 4.12 0.39 1.61 2.02 -1.26 -4.94 118.70 120.33 3k77 s GLU 40 Ca 0.00 1.11 0.08 0.00 0.02 0.00 0.00 54.97 56.18 3k77 s GLU 40 Cb 0.00 -3.70 0.79 0.00 0.10 0.00 0.00 34.13 31.32 3k77 s GLU 40 CO 0.00 -0.78 1.97 0.87 0.02 0.00 0.00 175.26 177.34 3k77 h LYS 41 N 7.87 0.40 -3.70 1.61 1.57 -1.95 -3.43 116.57 118.94 3k77 h LYS 41 Ca -0.20 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.42 3k77 h LYS 41 Cb 1.06 -0.07 -0.16 0.00 0.08 0.00 0.00 32.23 33.15 3k77 h LYS 41 CO 1.00 0.39 -0.39 0.95 -0.57 0.00 0.00 179.45 180.83 3k77 s THR 42 N -5.06 0.13 0.09 -0.16 -4.23 -1.26 -0.66 115.64 104.49 3k77 s THR 42 Ca -0.07 -1.06 -0.08 0.00 -1.18 0.00 0.00 61.69 59.31 3k77 s THR 42 Cb 0.16 -1.13 -0.01 0.00 1.34 0.00 0.00 72.50 72.86 3k77 s THR 42 CO 0.74 -0.58 0.17 0.27 -0.54 0.00 0.00 174.62 174.67 3k77 s ILE 43 N -3.23 0.14 -0.01 2.99 -4.36 -0.14 -5.00 121.20 111.59 3k77 s ILE 43 Ca 0.00 -1.30 -0.14 0.00 -0.26 0.00 0.00 60.65 58.95 3k77 s ILE 43 Cb 0.02 -1.44 0.02 0.00 1.25 0.00 0.00 42.46 42.31 3k77 s ILE 43 CO -0.08 -0.65 0.29 -0.55 0.24 0.00 0.00 174.94 174.20 3k77 s SER 44 N -2.89 -0.17 -0.05 4.36 0.15 -1.26 -1.18 113.70 112.67 3k77 s SER 44 Ca 0.07 0.07 -0.05 0.00 0.70 0.00 0.00 55.95 56.74 3k77 s SER 44 Cb 0.05 0.31 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 3k77 s SER 44 CO -0.09 -0.44 0.14 0.68 1.20 0.00 0.00 173.24 174.73 3k77 s VAL 45 N -1.31 0.01 -0.22 4.45 -7.23 -0.92 0.05 120.40 115.24 3k77 s VAL 45 Ca -0.13 -0.08 -0.05 0.00 -1.81 0.00 0.00 61.98 59.90 3k77 s VAL 45 Cb -0.05 -0.22 -0.02 0.00 0.56 0.00 0.00 36.38 36.64 3k77 s VAL 45 CO 0.04 -0.05 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.08 3k77 s VAL 46 N -0.09 3.73 -0.10 1.32 1.01 -0.30 -0.99 120.40 124.98 3k77 s VAL 46 Ca -0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 3k77 s VAL 46 Cb -0.02 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3k77 s VAL 46 CO 0.00 0.41 0.03 -0.76 0.00 0.00 0.00 175.10 174.78 3k77 s LEU 47 N 1.31 3.73 -0.22 3.92 1.43 0.11 0.47 118.68 129.43 3k77 s LEU 47 Ca 0.04 0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 53.18 3k77 s LEU 47 Cb -0.15 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3k77 s LEU 47 CO 0.00 0.36 0.35 -1.58 0.23 0.00 0.00 176.35 175.71 3k77 s GLN 48 N -0.78 4.14 0.58 1.70 2.00 0.89 -0.84 119.66 127.34 3k77 s GLN 48 Ca 0.12 0.09 -0.15 0.00 -2.00 0.00 0.00 55.36 53.43 3k77 s GLN 48 Cb -0.12 -3.55 -0.05 0.00 0.80 0.00 0.00 33.01 30.10 3k77 s GLN 48 CO 0.02 -0.04 1.03 -0.51 -0.50 0.00 0.00 175.29 175.29 3k77 s LEU 49 N 1.34 3.45 0.26 3.68 1.43 0.41 0.59 118.68 129.83 3k77 s LEU 49 Ca 0.16 1.64 -0.00 0.00 -1.03 0.00 0.00 54.13 54.90 3k77 s LEU 49 Cb -0.15 -4.51 0.34 0.00 0.03 0.00 0.00 46.19 41.90 3k77 s LEU 49 CO 0.07 -0.95 1.70 -0.33 0.23 0.00 0.00 176.35 177.07 3k77 h GLU 50 N 0.33 0.60 -4.29 1.70 5.08 -1.70 -3.41 114.58 112.89 3k77 h GLU 50 Ca -0.46 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 57.52 3k77 h GLU 50 Cb 1.20 -0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.27 3k77 h GLU 50 CO 0.59 0.78 -0.61 -1.59 -1.00 0.00 0.00 179.01 177.18 3k77 s LYS 51 N -4.57 0.85 0.14 2.33 -2.85 -1.26 -5.01 119.74 109.37 3k77 s LYS 51 Ca -0.08 -1.33 -0.31 0.00 -1.00 0.00 0.00 55.97 53.25 3k77 s LYS 51 Cb 0.14 0.25 -0.08 0.00 -2.06 0.00 0.00 37.83 36.07 3k77 s LYS 51 CO 0.81 -0.23 1.39 -2.00 0.10 0.00 0.00 175.35 175.41 3k77 s GLU 52 N -3.99 4.32 0.09 1.78 2.12 -1.26 -4.70 118.70 117.06 3k77 s GLU 52 Ca 0.18 2.10 -0.09 0.00 0.36 0.00 0.00 54.97 57.51 3k77 s GLU 52 Cb 0.07 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.24 3k77 s GLU 52 CO -0.02 -0.41 0.21 -1.21 -0.54 0.00 0.00 175.26 173.28 3k77 s GLU 53 N 0.83 0.85 -0.10 4.30 2.02 0.14 -4.84 118.70 121.90 3k77 s GLU 53 Ca 0.63 -0.90 -0.16 0.00 0.02 0.00 0.00 54.97 54.56 3k77 s GLU 53 Cb -0.37 0.35 -0.05 0.00 0.10 0.00 0.00 34.13 34.16 3k77 s GLU 53 CO 0.32 -0.27 0.40 -1.14 0.02 0.00 0.00 175.26 174.58 3k77 s GLN 54 N -3.73 4.18 -0.21 1.61 0.74 -1.26 -0.67 119.66 120.32 3k77 s GLN 54 Ca 0.04 0.32 -0.15 0.00 0.05 0.00 0.00 55.36 55.62 3k77 s GLN 54 Cb 0.04 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.74 3k77 s GLN 54 CO -0.10 0.34 0.34 0.42 -0.55 0.00 0.00 175.29 175.74 3k77 s ILE 55 N 0.08 5.24 -0.21 -2.34 1.01 -1.26 -3.86 121.20 119.86 3k77 s ILE 55 Ca 0.22 0.58 0.04 0.00 0.00 0.00 0.00 60.65 61.49 3k77 s ILE 55 Cb -0.15 -3.67 -0.21 0.00 0.01 0.00 0.00 42.46 38.44 3k77 s ILE 55 CO 0.09 0.27 -0.01 1.57 0.00 0.00 0.00 174.94 176.86 3k77 n HIS 56 N 4.47 0.30 -3.70 3.97 -0.00 0.15 -4.88 115.22 115.53 3k77 n HIS 56 Ca -0.10 0.07 -0.12 0.00 -0.00 0.00 0.00 57.72 57.57 3k77 n HIS 56 Cb 0.51 -1.04 -0.06 0.00 -0.00 0.00 0.00 29.99 29.40 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 -6.41 -0.21 -0.04 0.26 0.15 -1.14 -2.57 113.70 103.75 3k77 s SER 57 Ca -0.26 -0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.25 3k77 s SER 57 Cb 0.08 0.40 0.03 0.00 -1.71 0.00 0.00 66.02 64.82 3k77 s SER 57 CO 0.69 -0.67 0.04 -0.69 1.20 0.00 0.00 173.24 173.81 3k77 s VAL 58 N -2.68 -0.01 -0.14 4.45 1.01 -0.28 -1.91 120.40 120.85 3k77 s VAL 58 Ca -0.04 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 3k77 s VAL 58 Cb -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 3k77 s VAL 58 CO -0.04 0.18 0.09 -1.81 0.00 0.00 0.00 175.10 173.52 3k77 s ASP 59 N 1.91 5.92 -0.13 3.32 1.01 0.35 -0.29 116.67 128.77 3k77 s ASP 59 Ca 0.02 0.27 0.01 0.00 0.71 0.00 0.00 52.55 53.56 3k77 s ASP 59 Cb -0.12 -1.92 0.02 0.00 1.01 0.00 0.00 42.92 41.91 3k77 s ASP 59 CO -0.03 0.31 -0.14 -0.63 0.21 0.00 0.00 175.17 174.89 3k77 s ILE 60 N -0.46 1.50 -0.39 0.77 -1.09 -0.41 -1.17 121.20 119.96 3k77 s ILE 60 Ca 0.11 -0.62 -0.14 0.00 -2.23 0.00 0.00 60.65 57.77 3k77 s ILE 60 Cb -0.12 -1.39 0.01 0.00 -1.58 0.00 0.00 42.46 39.38 3k77 s ILE 60 CO 0.02 0.44 0.28 -0.83 -1.23 0.00 0.00 174.94 173.62 3k77 s GLY 61 N 1.24 1.99 1.01 6.18 0.00 -0.35 -1.03 107.32 116.37 3k77 s GLY 61 Ca -0.01 -1.66 -0.14 0.00 0.00 0.00 0.00 44.72 42.91 3k77 s GLY 61 CO -0.06 0.88 1.12 0.21 0.00 0.00 0.00 173.10 175.25 3k77 s ASN 62 N 1.67 2.56 -0.39 1.64 2.47 -0.47 0.81 114.94 123.23 3k77 s ASN 62 Ca 0.05 0.98 0.06 0.00 0.42 0.00 0.00 52.86 54.37 3k77 s ASN 62 Cb -0.19 -1.53 0.30 0.00 -1.45 0.00 0.00 41.25 38.38 3k77 s ASN 62 CO 0.10 -3.14 1.23 -0.67 -3.72 0.00 0.00 177.10 170.90 3k77 n ASP 63 N -4.16 -1.81 0.00 -4.21 2.03 -0.68 -3.35 116.55 104.37 3k77 n ASP 63 Ca 0.07 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.70 3k77 n ASP 63 Cb 0.58 1.41 0.00 0.00 -0.72 0.00 0.00 41.12 42.39 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 0.04 0.57 3.83 0.27 0.00 -0.55 -1.24 105.19 108.11 3k77 n GLY 64 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.99 6.89 -0.14 1.61 0.01 -1.26 -4.75 113.70 114.07 3k77 s SER 65 Ca 0.00 1.53 0.06 0.00 1.31 0.00 0.00 55.95 58.85 3k77 s SER 65 Cb 0.00 -2.48 -0.23 0.00 0.21 0.00 0.00 66.02 63.52 3k77 s SER 65 CO 0.00 -0.29 0.27 0.00 0.41 0.00 0.00 173.24 173.63 3k77 n ALA 66 N -0.49 1.30 -2.77 1.44 0.00 0.84 -4.17 120.51 116.66 3k77 n ALA 66 Ca 0.05 -0.90 -0.16 0.00 0.00 0.00 0.00 53.44 52.43 3k77 n ALA 66 Cb 0.54 -0.51 -0.12 0.00 0.00 0.00 0.00 19.45 19.36 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 0.95 -0.01 0.00 0.08 -1.01 -1.29 117.98 114.14 3k77 s PHE 67 Ca -0.17 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.44 3k77 s PHE 67 Cb 0.07 -0.55 0.01 0.00 -0.57 0.00 0.00 43.02 41.98 3k77 s PHE 67 CO 0.76 -0.01 -0.02 0.08 -0.10 0.00 0.00 175.22 175.94 3k77 s VAL 68 N -1.22 0.20 0.00 -0.44 1.01 -0.23 -1.39 120.40 118.34 3k77 s VAL 68 Ca -0.05 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 61.95 3k77 s VAL 68 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 3k77 s VAL 68 CO 0.01 0.10 -0.16 -0.70 0.00 0.00 0.00 175.10 174.35 3k77 s GLU 69 N 0.41 1.26 -0.14 2.72 2.12 0.60 -0.74 118.70 124.93 3k77 s GLU 69 Ca -0.04 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.66 3k77 s GLU 69 Cb -0.07 -1.24 0.02 0.00 0.26 0.00 0.00 34.13 33.10 3k77 s GLU 69 CO -0.01 0.33 -0.17 0.08 -0.54 0.00 0.00 175.26 174.96 3k77 s VAL 70 N -0.49 1.68 0.23 3.70 1.01 -0.76 -0.17 120.40 125.60 3k77 s VAL 70 Ca 0.06 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.40 3k77 s VAL 70 Cb -0.07 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 3k77 s VAL 70 CO -0.00 0.48 -0.08 -0.76 0.00 0.00 0.00 175.10 174.74 3k77 s LEU 71 N 1.17 2.98 0.04 3.92 1.02 0.10 -0.83 118.68 127.07 3k77 s LEU 71 Ca -0.01 -0.69 0.07 0.00 0.02 0.00 0.00 54.13 53.52 3k77 s LEU 71 Cb -0.14 -1.57 -0.02 0.00 0.02 0.00 0.00 46.19 44.47 3k77 s LEU 71 CO -0.06 0.05 -0.20 0.68 0.02 0.00 0.00 176.35 176.84 3k77 s VAL 72 N -2.07 1.64 0.32 -1.59 -7.23 0.24 -0.15 120.40 111.56 3k77 s VAL 72 Ca 0.28 -1.16 -0.06 0.00 -1.81 0.00 0.00 61.98 59.24 3k77 s VAL 72 Cb -0.07 -1.42 0.02 0.00 0.56 0.00 0.00 36.38 35.47 3k77 s VAL 72 CO 0.17 0.23 0.52 0.61 -0.31 0.00 0.00 175.10 176.31 3k77 n GLY 73 N 1.93 1.82 3.29 2.32 0.00 -0.93 -0.25 105.19 113.37 3k77 n GLY 73 Ca -0.17 -1.45 -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 -2.85 2.66 0.23 1.61 0.15 -1.26 -1.47 113.70 112.77 3k77 s SER 74 Ca 0.21 -0.62 0.25 0.00 0.70 0.00 0.00 55.95 56.49 3k77 s SER 74 Cb -0.02 -0.19 0.63 0.00 -1.71 0.00 0.00 66.02 64.73 3k77 s SER 74 CO 0.15 0.13 1.65 0.77 1.20 0.00 0.00 173.24 177.14 3k77 h SER 75 N 4.44 0.00 -3.22 5.45 4.64 -1.87 -3.38 113.55 119.61 3k77 h SER 75 Ca -0.45 -0.04 -0.53 0.00 -0.47 0.00 0.00 61.79 60.30 3k77 h SER 75 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3k77 h SER 75 CO 0.42 0.02 0.55 0.00 -0.87 0.00 0.00 176.83 176.94 3k77 s ALA 76 N -3.14 3.38 -1.06 5.18 0.00 -1.26 -2.88 121.76 121.99 3k77 s ALA 76 Ca 0.09 0.84 -0.00 0.00 0.00 0.00 0.00 51.96 52.89 3k77 s ALA 76 Cb 0.11 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3k77 s ALA 76 CO 0.64 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.39 3k77 n GLY 77 N 3.15 -0.14 5.16 0.00 0.00 -1.26 -4.76 105.19 107.35 3k77 n GLY 77 Ca 0.09 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.01 -1.48 2.82 -0.02 0.00 -1.14 -4.87 105.19 99.50 3k77 n GLY 78 Ca -0.15 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.78 -0.54 0.68 4.61 0.00 -1.26 -4.57 121.76 118.89 3k77 s ALA 79 Ca 0.00 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.50 3k77 s ALA 79 Cb 0.00 -1.40 0.12 0.00 0.00 0.00 0.00 23.12 21.84 3k77 s ALA 79 CO 0.00 -1.17 0.93 0.20 0.00 0.00 0.00 175.76 175.72 3k77 s GLY 80 N 2.40 1.75 0.08 0.00 0.00 -1.26 -4.95 107.32 105.34 3k77 s GLY 80 Ca 0.08 -1.89 -0.30 0.00 0.00 0.00 0.00 44.72 42.61 3k77 s GLY 80 CO -0.13 -1.35 1.66 0.83 0.00 0.00 0.00 173.10 174.11 3k77 h GLU 81 N -0.30 -0.58 -0.58 2.90 4.39 -2.01 -2.16 114.58 116.24 3k77 h GLU 81 Ca -0.34 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.40 3k77 h GLU 81 Cb 1.27 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 3k77 h GLU 81 CO 0.40 -0.39 0.00 1.04 -1.16 0.00 0.00 179.01 178.90 3k77 n GLN 82 N -5.36 0.80 -0.07 2.33 1.13 -1.26 -3.35 117.38 111.60 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 -1.29 -0.14 0.00 0.11 0.00 0.00 30.24 29.18 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 -0.07 0.60 -4.69 1.08 4.64 -0.81 -4.94 116.55 112.36 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 1.20 -0.03 0.00 -1.04 0.00 0.00 41.12 41.39 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 -2.68 3.55 0.33 -0.67 1.51 -1.21 -4.77 117.35 113.41 3k77 s TYR 84 Ca -0.08 1.62 -0.18 0.00 -1.01 0.00 0.00 57.07 57.41 3k77 s TYR 84 Cb 0.07 -3.17 -0.09 0.00 -0.11 0.00 0.00 41.96 38.65 3k77 s TYR 84 CO 0.75 -0.19 0.80 -2.00 -1.11 0.00 0.00 175.55 173.80 3k77 s GLU 85 N 1.70 4.15 -0.11 -0.62 2.56 0.65 -4.83 118.70 122.21 3k77 s GLU 85 Ca 0.50 0.87 -0.27 0.00 0.00 0.00 0.00 54.97 56.07 3k77 s GLU 85 Cb -0.19 -2.49 -0.02 0.00 2.00 0.00 0.00 34.13 33.43 3k77 s GLU 85 CO 0.21 0.17 0.87 0.08 -0.56 0.00 0.00 175.26 176.03 3k77 s VAL 86 N -1.91 4.89 -0.26 3.70 1.01 -1.26 0.81 120.40 127.38 3k77 s VAL 86 Ca 0.54 1.76 -0.15 0.00 0.00 0.00 0.00 61.98 64.12 3k77 s VAL 86 Cb -0.12 -4.19 -0.12 0.00 0.00 0.00 0.00 36.38 31.95 3k77 s VAL 86 CO 0.18 0.08 -0.29 -0.11 0.00 0.00 0.00 175.10 174.95 3k77 n LEU 87 N 4.71 1.94 -4.26 3.92 7.94 -0.01 -4.62 117.00 126.62 3k77 n LEU 87 Ca 0.05 0.35 -0.36 0.00 -1.11 0.00 0.00 56.01 54.93 3k77 n LEU 87 Cb 0.50 -0.83 -0.13 0.00 0.53 0.00 0.00 43.42 43.49 3k77 n LEU 87 CO 0.49 0.44 -0.31 -0.22 -1.11 0.00 0.00 177.39 176.68 3k77 s LEU 88 N -7.60 3.83 0.74 -1.96 2.96 -0.33 -0.50 118.68 115.82 3k77 s LEU 88 Ca -0.36 -0.95 -0.15 0.00 -0.22 0.00 0.00 54.13 52.44 3k77 s LEU 88 Cb 0.13 -1.80 0.04 0.00 0.50 0.00 0.00 46.19 45.06 3k77 s LEU 88 CO 0.49 -0.22 1.24 0.55 -1.32 0.00 0.00 176.35 177.09 3k77 n VAL 89 N 4.77 3.34 -1.57 1.68 3.14 -1.26 -1.83 118.33 126.59 3k77 n VAL 89 Ca -0.14 -0.34 -0.62 0.00 -2.96 0.00 0.00 64.34 60.28 3k77 n VAL 89 Cb 0.46 -1.33 -0.10 0.00 -1.06 0.00 0.00 33.84 31.82 3k77 n VAL 89 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 3k77 n THR 90 N -2.68 0.09 -4.83 1.55 -1.04 -1.26 -4.77 114.28 101.33 3k77 n THR 90 Ca 0.15 -0.04 -0.32 0.00 -2.04 0.00 0.00 64.05 61.80 3k77 n THR 90 Cb 0.49 -0.77 -0.13 0.00 -1.82 0.00 0.00 70.33 68.10 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 4.37 3.81 0.19 8.00 0.01 0.08 -4.92 113.70 125.23 3k77 s SER 91 Ca 1.08 -0.34 -0.24 0.00 1.31 0.00 0.00 55.95 57.77 3k77 s SER 91 Cb -1.35 -0.68 -0.08 0.00 0.21 0.00 0.00 66.02 64.13 3k77 s SER 91 CO 0.71 0.30 0.77 -0.55 0.41 0.00 0.00 173.24 174.87 3k77 s SER 92 N -1.06 7.28 0.00 2.44 0.15 -1.26 -1.07 113.70 120.19 3k77 s SER 92 Ca 0.13 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.36 3k77 s SER 92 Cb -0.10 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3k77 s SER 92 CO 0.03 0.14 0.00 0.49 1.20 0.00 0.00 173.24 175.10 3k77 n PHE 93 N 1.28 0.00 -3.64 3.44 3.72 -0.41 -4.96 117.46 116.89 3k77 n PHE 93 Ca -0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.25 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 -0.55 0.74 0.69 -1.08 1.75 -1.19 -4.79 119.30 114.86 3k77 s MET 94 Ca 0.00 1.07 -0.08 0.00 -1.25 0.00 0.00 55.69 55.43 3k77 s MET 94 Cb 0.00 0.26 0.04 0.00 2.84 0.00 0.00 34.83 37.97 3k77 s MET 94 CO 0.00 -0.12 1.02 -1.54 -0.65 0.00 0.00 175.02 173.72 3k77 s SER 95 N 0.99 5.09 0.18 1.11 1.04 -1.26 -4.71 113.70 116.13 3k77 s SER 95 Ca -0.05 0.67 -0.14 0.00 0.48 0.00 0.00 55.95 56.92 3k77 s SER 95 Cb -0.05 -1.42 0.11 0.00 0.10 0.00 0.00 66.02 64.76 3k77 s SER 95 CO -0.09 -1.45 1.80 -0.65 0.98 0.00 0.00 173.24 173.82 3k77 h PRO 96 N -0.55 0.51 -0.28 4.02 0.11 -1.98 0.34 132.00 134.18 3k77 h PRO 96 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3k77 h PRO 96 Cb 1.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3k77 h PRO 96 CO 0.62 0.34 0.16 0.77 -0.21 0.00 0.00 178.00 179.68 3k77 h SER 97 N 0.53 0.35 -0.34 -2.05 0.02 -1.95 0.16 113.55 110.27 3k77 h SER 97 Ca 0.21 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3k77 h SER 97 Cb 0.08 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3k77 h SER 97 CO -0.13 0.33 0.13 -0.33 -1.14 0.00 0.00 176.83 175.69 3k77 h GLU 98 N 0.35 0.52 -0.76 3.45 5.08 -1.82 -1.44 114.58 119.96 3k77 h GLU 98 Ca 0.10 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3k77 h GLU 98 Cb 0.05 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 3k77 h GLU 98 CO -0.02 0.52 0.46 0.77 -1.00 0.00 0.00 179.01 179.75 3k77 h SER 99 N 0.40 0.72 -0.48 1.42 0.02 -0.01 1.34 113.55 116.97 3k77 h SER 99 Ca 0.11 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 3k77 h SER 99 Cb 0.21 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3k77 h SER 99 CO -0.01 0.47 -0.07 0.03 -1.14 0.00 0.00 176.83 176.12 3k77 h ARG 100 N 0.86 0.93 0.00 3.45 3.08 -0.46 -3.22 114.38 119.03 3k77 h ARG 100 Ca 0.33 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3k77 h ARG 100 Cb 0.13 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3k77 h ARG 100 CO -0.16 0.97 -1.08 -1.13 -1.07 0.00 0.00 179.97 177.50 3k77 n SER 101 N -4.17 0.62 0.00 7.04 3.41 -0.56 -4.98 113.62 114.98 3k77 n SER 101 Ca 0.02 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 3k77 n SER 101 Cb 0.37 0.90 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 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 1.39 0.41 3.77 5.00 0.00 0.45 -5.04 105.19 111.16 3k77 n GLY 102 Ca 0.02 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.97 7.28 -1.18 1.61 0.01 -0.60 -4.29 113.70 113.57 3k77 s SER 103 Ca 0.00 1.52 -0.09 0.00 1.31 0.00 0.00 55.95 58.69 3k77 s SER 103 Cb 0.00 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 3k77 s SER 103 CO 0.00 0.17 0.79 0.59 0.41 0.00 0.00 173.24 175.20 3k77 n ASN 104 N 1.95 -4.13 0.08 2.44 4.13 -1.26 -4.61 115.26 113.86 3k77 n ASN 104 Ca -0.06 -0.87 0.13 0.00 1.68 0.00 0.00 54.58 55.47 3k77 n ASN 104 Cb 0.49 -4.10 0.41 0.00 -1.54 0.00 0.00 39.78 35.04 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 -3.97 0.21 -0.29 3.52 -0.02 -1.26 -4.12 135.00 129.07 3k77 n PRO 105 Ca -0.16 0.16 0.07 0.00 -2.02 0.00 0.00 63.50 61.54 3k77 n PRO 105 Cb 0.63 -1.73 0.20 0.00 -0.02 0.00 0.00 33.50 32.58 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 -2.09 3.36 -4.66 2.55 5.03 -1.26 -1.49 115.26 116.70 3k77 n ASN 106 Ca 0.06 -2.30 -0.48 0.00 0.87 0.00 0.00 54.58 52.72 3k77 n ASN 106 Cb 0.41 -0.35 -0.05 0.00 -1.02 0.00 0.00 39.78 38.78 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 0.33 1.92 -4.23 3.52 0.63 -1.26 -4.29 116.66 113.27 3k77 n ARG 107 Ca 0.16 0.69 -0.34 0.00 -0.92 0.00 0.00 57.85 57.44 3k77 n ARG 107 Cb 0.59 -2.45 -0.10 0.00 0.45 0.00 0.00 32.46 30.95 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 1.61 4.37 -0.04 5.15 0.11 -1.26 -1.37 120.40 128.97 3k77 s VAL 108 Ca 0.84 -0.20 0.03 0.00 -2.93 0.00 0.00 61.98 59.72 3k77 s VAL 108 Cb -0.75 -2.92 0.01 0.00 -1.53 0.00 0.00 36.38 31.18 3k77 s VAL 108 CO 0.44 0.51 -0.10 -0.13 -3.33 0.00 0.00 175.10 172.49 3k77 s ARG 109 N 0.04 1.18 -0.11 1.54 0.52 -0.20 -4.98 118.95 116.95 3k77 s ARG 109 Ca 0.03 -0.35 -0.04 0.00 -0.52 0.00 0.00 55.73 54.85 3k77 s ARG 109 Cb -0.13 -1.07 -0.04 0.00 0.52 0.00 0.00 34.95 34.24 3k77 s ARG 109 CO 0.02 0.10 0.04 1.41 0.02 0.00 0.00 175.30 176.89 3k77 s MET 110 N 0.31 3.26 -0.29 3.54 1.75 -1.26 -1.28 119.30 125.32 3k77 s MET 110 Ca -0.06 -0.34 0.01 0.00 -1.25 0.00 0.00 55.69 54.05 3k77 s MET 110 Cb -0.11 -2.95 0.09 0.00 2.84 0.00 0.00 34.83 34.70 3k77 s MET 110 CO 0.01 0.64 0.04 -0.06 -0.65 0.00 0.00 175.02 175.01 3k77 s PHE 111 N -0.69 2.34 0.57 4.11 0.40 0.61 -5.00 117.98 120.32 3k77 s PHE 111 Ca 0.11 -1.99 -0.10 0.00 -0.60 0.00 0.00 56.93 54.36 3k77 s PHE 111 Cb -0.12 -1.93 0.13 0.00 0.51 0.00 0.00 43.02 41.62 3k77 s PHE 111 CO 0.02 -0.85 0.70 0.41 0.70 0.00 0.00 175.22 176.21 3k77 n GLY 112 N 4.67 -1.62 0.28 4.36 0.00 -1.26 -1.12 105.19 110.50 3k77 n GLY 112 Ca -0.04 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.89 -1.80 132.00 130.03 3k77 h PRO 113 Ca -0.23 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.84 3k77 h PRO 113 Cb 0.66 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 3k77 h PRO 113 CO 0.16 0.00 -0.16 0.38 -0.21 0.00 0.00 178.00 178.17 3k77 h ASP 114 N 0.00 0.00 0.18 -2.05 -0.00 -1.92 -3.27 116.42 109.37 3k77 h ASP 114 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3k77 h ASP 114 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.34 3k77 h ASP 114 CO -0.00 0.16 -0.75 0.29 -0.00 0.00 0.00 179.24 178.94 3k77 n LYS 115 N -3.15 0.14 -3.17 4.15 5.02 -0.69 -4.91 118.16 115.56 3k77 n LYS 115 Ca 0.03 -0.11 -0.28 0.00 -2.02 0.00 0.00 58.31 55.93 3k77 n LYS 115 Cb 0.58 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 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 -2.93 3.95 0.00 -0.35 1.43 -1.16 -4.71 118.68 114.92 3k77 s LEU 116 Ca 0.11 0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 53.68 3k77 s LEU 116 Cb 0.17 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 3k77 s LEU 116 CO 0.77 -0.30 1.22 0.68 0.23 0.00 0.00 176.35 178.96 3k77 s VAL 117 N -2.26 4.09 -0.57 -1.59 -7.23 0.35 -4.93 120.40 108.26 3k77 s VAL 117 Ca 0.45 1.47 0.24 0.00 -1.81 0.00 0.00 61.98 62.33 3k77 s VAL 117 Cb -0.10 -3.94 0.23 0.00 0.56 0.00 0.00 36.38 33.12 3k77 s VAL 117 CO 0.33 0.05 1.56 0.03 -0.31 0.00 0.00 175.10 176.76 3k77 h ARG 118 N 7.21 0.00 0.10 4.82 3.08 -1.89 0.75 114.38 128.45 3k77 h ARG 118 Ca -0.38 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 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 -0.05 0.00 -1.07 0.00 0.00 179.97 179.71 3k77 h ALA 119 N 2.30 -0.13 -0.29 0.04 0.00 -1.95 -1.73 119.26 117.50 3k77 h ALA 119 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 3k77 h ALA 119 Cb 0.85 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3k77 h ALA 119 CO 0.00 -0.44 -0.56 0.00 0.00 0.00 0.00 179.25 178.25 3k77 h ALA 120 N 0.49 0.46 0.00 0.00 0.00 -1.80 -3.16 119.26 115.25 3k77 h ALA 120 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3k77 h ALA 120 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3k77 h ALA 120 CO 0.02 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.95 3k77 n ALA 121 N -2.57 1.51 0.08 0.00 0.00 0.25 -2.53 120.51 117.25 3k77 n ALA 121 Ca -0.04 0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 3k77 n ALA 121 Cb 0.63 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 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 0.21 -7.11 0.00 4.57 -1.27 -3.42 114.58 107.56 3k77 h GLU 122 Ca 0.00 -0.24 -0.45 0.00 -1.18 0.00 0.00 59.36 57.48 3k77 h GLU 122 Cb 0.28 0.07 0.08 0.00 -0.16 0.00 0.00 28.75 29.02 3k77 h GLU 122 CO 0.00 1.00 0.11 0.15 -1.18 0.00 0.00 179.01 179.08 3k77 s LYS 123 N -3.12 1.98 0.01 1.92 1.02 -1.05 -5.04 119.74 115.45 3k77 s LYS 123 Ca -0.03 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.16 3k77 s LYS 123 Cb 0.10 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 3k77 s LYS 123 CO 0.84 -1.24 0.04 1.03 -0.92 0.00 0.00 175.35 175.09 3k77 s ARG 124 N -5.09 2.90 0.19 1.68 0.52 -1.26 -4.44 118.95 113.45 3k77 s ARG 124 Ca 0.63 -0.57 -0.02 0.00 -0.52 0.00 0.00 55.73 55.24 3k77 s ARG 124 Cb -0.08 -2.75 -0.04 0.00 0.52 0.00 0.00 34.95 32.61 3k77 s ARG 124 CO 0.43 0.63 0.15 -1.58 0.02 0.00 0.00 175.30 174.94 3k77 s TRP 125 N -1.16 1.02 0.00 -0.53 0.52 0.16 -4.83 118.94 114.12 3k77 s TRP 125 Ca 0.22 -1.28 0.00 0.00 0.02 0.00 0.00 56.10 55.05 3k77 s TRP 125 Cb -0.12 -0.47 0.00 0.00 -1.15 0.00 0.00 33.47 31.73 3k77 s TRP 125 CO 0.13 -0.65 0.25 -0.40 0.02 0.00 0.00 176.95 176.30 3k77 n ASP 126 N -0.24 0.22 -4.29 2.95 5.75 -1.14 0.23 116.55 120.04 3k77 n ASP 126 Ca 0.00 -1.05 -0.25 0.00 -0.01 0.00 0.00 54.79 53.48 3k77 n ASP 126 Cb 0.65 0.00 -0.13 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 -0.05 1.19 -0.06 0.11 1.81 -0.54 -0.44 118.95 120.96 3k77 s ARG 127 Ca 0.00 -1.13 -0.03 0.00 -1.72 0.00 0.00 55.73 52.85 3k77 s ARG 127 Cb 0.00 -1.44 0.04 0.00 -0.45 0.00 0.00 34.95 33.10 3k77 s ARG 127 CO 0.00 0.34 0.12 0.08 -0.68 0.00 0.00 175.30 175.16 3k77 s VAL 128 N -1.09 -0.18 -0.21 3.52 1.01 -0.02 -2.18 120.40 121.25 3k77 s VAL 128 Ca 0.07 0.36 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 3k77 s VAL 128 Cb -0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 3k77 s VAL 128 CO 0.04 0.15 0.02 -0.75 0.00 0.00 0.00 175.10 174.55 3k77 s LYS 129 N 2.08 3.64 -0.21 2.72 2.20 0.79 0.09 119.74 131.05 3k77 s LYS 129 Ca 0.02 -0.50 -0.04 0.00 -0.36 0.00 0.00 55.97 55.08 3k77 s LYS 129 Cb -0.12 -3.13 -0.01 0.00 -1.51 0.00 0.00 37.83 33.05 3k77 s LYS 129 CO -0.05 -0.02 -0.03 0.42 -0.36 0.00 0.00 175.35 175.32 3k77 s ILE 130 N 1.09 3.57 -0.18 5.43 1.01 -0.16 0.01 121.20 131.98 3k77 s ILE 130 Ca 0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 3k77 s ILE 130 Cb -0.14 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 3k77 s ILE 130 CO 0.02 0.42 -0.06 -0.69 0.00 0.00 0.00 174.94 174.63 3k77 s VAL 131 N 1.34 3.49 -0.08 2.92 1.01 0.76 -2.15 120.40 127.68 3k77 s VAL 131 Ca 0.04 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3k77 s VAL 131 Cb -0.14 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 3k77 s VAL 131 CO -0.01 0.46 -0.10 0.00 0.00 0.00 0.00 175.10 175.45 3k77 s SER 133 N -0.51 2.53 -0.43 0.00 0.01 -0.48 -0.97 113.70 113.85 3k77 s SER 133 Ca 0.07 -0.64 0.05 0.00 1.31 0.00 0.00 55.95 56.73 3k77 s SER 133 Cb -0.12 -0.16 0.17 0.00 0.21 0.00 0.00 66.02 66.13 3k77 s SER 133 CO 0.02 0.09 0.47 -1.58 0.41 0.00 0.00 173.24 172.64 3k77 s GLN 134 N -1.71 0.87 0.10 12.44 2.00 0.16 -0.11 119.66 133.40 3k77 s GLN 134 Ca 0.07 -1.37 0.26 0.00 -2.00 0.00 0.00 55.36 52.31 3k77 s GLN 134 Cb -0.10 -0.77 0.66 0.00 0.80 0.00 0.00 33.01 33.61 3k77 s GLN 134 CO 0.04 -1.31 1.57 -2.30 -0.50 0.00 0.00 175.29 172.79 3k77 n PRO 135 N 3.36 0.17 0.01 1.67 -0.02 -1.26 -4.12 135.00 134.80 3k77 n PRO 135 Ca 0.20 0.09 0.11 0.00 -2.02 0.00 0.00 63.50 61.88 3k77 n PRO 135 Cb 0.49 -1.65 0.03 0.00 -0.02 0.00 0.00 33.50 32.36 3k77 n PRO 135 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k77 n TYR 136 N -1.92 0.08 -3.69 6.00 4.01 -1.26 -4.88 117.16 115.50 3k77 n TYR 136 Ca 0.05 0.02 -0.10 0.00 -0.16 0.00 0.00 57.90 57.71 3k77 n TYR 136 Cb 0.40 -0.23 -0.10 0.00 -0.31 0.00 0.00 39.34 39.10 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 -3.34 -0.54 -0.03 7.72 0.15 -1.26 -4.31 113.70 112.08 3k77 s SER 137 Ca 0.07 0.94 0.13 0.00 0.70 0.00 0.00 55.95 57.79 3k77 s SER 137 Cb 0.16 0.84 0.39 0.00 -1.71 0.00 0.00 66.02 65.70 3k77 s SER 137 CO 0.80 -0.20 1.32 0.29 1.20 0.00 0.00 173.24 176.65 3k77 n LYS 138 N 4.31 2.92 0.16 5.44 5.02 -1.26 -4.64 118.16 130.10 3k77 n LYS 138 Ca -0.23 -2.26 0.02 0.00 -2.02 0.00 0.00 58.31 53.83 3k77 n LYS 138 Cb 0.55 -1.41 0.20 0.00 -0.02 0.00 0.00 35.03 34.35 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 2.29 0.00 -5.08 4.39 3.32 -1.95 -2.99 116.42 116.40 3k77 h ASP 139 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3k77 h ASP 139 Cb 0.89 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.26 3k77 h ASP 139 CO 0.04 0.51 -0.65 -0.44 -1.72 0.00 0.00 179.24 176.99 3k77 s SER 140 N -6.54 0.30 0.59 6.45 0.01 -1.26 -4.90 113.70 108.35 3k77 s SER 140 Ca 0.01 -0.65 -0.19 0.00 1.31 0.00 0.00 55.95 56.42 3k77 s SER 140 Cb 0.10 0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.47 3k77 s SER 140 CO 0.73 -0.44 1.26 -2.84 0.41 0.00 0.00 173.24 172.35 3k77 s PRO 141 N -2.48 2.91 0.18 12.44 0.02 -1.26 -4.07 135.00 142.73 3k77 s PRO 141 Ca -0.06 1.97 -0.03 0.00 0.02 0.00 0.00 61.00 62.90 3k77 s PRO 141 Cb -0.02 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 3k77 s PRO 141 CO -0.05 -1.29 0.14 -0.59 -0.33 0.00 0.00 177.00 174.89 3k77 s PHE 142 N -1.48 0.93 0.00 6.54 -0.12 -1.26 -4.90 117.98 117.69 3k77 s PHE 142 Ca 0.77 -1.23 0.00 0.00 -0.05 0.00 0.00 56.93 56.43 3k77 s PHE 142 Cb -0.34 -0.43 0.00 0.00 -0.63 0.00 0.00 43.02 41.62 3k77 s PHE 142 CO 0.38 -0.63 0.00 0.41 -0.05 0.00 0.00 175.22 175.32 3k77 n GLY 143 N -0.21 -0.96 3.33 1.99 0.00 -0.37 -1.61 105.19 107.35 3k77 n GLY 143 Ca -0.02 -0.02 -0.22 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 2.42 -0.14 0.99 1.43 -0.30 -2.30 118.68 120.78 3k77 s LEU 144 Ca 0.00 -0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 52.12 3k77 s LEU 144 Cb 0.00 -0.84 -0.24 0.00 0.03 0.00 0.00 46.19 45.14 3k77 s LEU 144 CO 0.00 -0.02 0.38 -1.28 0.23 0.00 0.00 176.35 175.66 3k77 h SER 145 N 3.37 0.27 -5.03 2.29 0.87 0.40 -0.92 113.55 114.79 3k77 h SER 145 Ca -0.43 -0.78 0.06 0.00 -1.23 0.00 0.00 61.79 59.41 3k77 h SER 145 Cb 1.20 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 63.04 3k77 h SER 145 CO 0.49 1.66 0.27 0.72 -0.53 0.00 0.00 176.83 179.44 3k77 s PHE 146 N -2.47 -0.11 -0.15 2.24 -0.12 -1.13 -4.22 117.98 112.02 3k77 s PHE 146 Ca -0.24 -0.39 -0.10 0.00 -0.05 0.00 0.00 56.93 56.15 3k77 s PHE 146 Cb 0.06 0.74 0.05 0.00 -0.63 0.00 0.00 43.02 43.23 3k77 s PHE 146 CO 0.71 -1.28 0.38 0.54 -0.05 0.00 0.00 175.22 175.52 3k77 s VAL 147 N -3.46 -0.02 -0.12 -2.49 0.11 -1.26 -1.21 120.40 111.95 3k77 s VAL 147 Ca 0.12 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 3k77 s VAL 147 Cb -0.05 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 3k77 s VAL 147 CO 0.08 0.03 -0.13 -0.13 -3.33 0.00 0.00 175.10 171.62 3k77 s ARG 148 N 1.09 2.03 -0.02 1.54 0.52 -0.31 -4.58 118.95 119.22 3k77 s ARG 148 Ca -0.07 -0.47 -0.01 0.00 -0.52 0.00 0.00 55.73 54.65 3k77 s ARG 148 Cb -0.07 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.53 3k77 s ARG 148 CO -0.09 -0.15 0.08 -0.06 0.02 0.00 0.00 175.30 175.10 3k77 s PHE 149 N 1.26 3.31 -0.00 -0.53 0.08 -1.26 -0.49 117.98 120.34 3k77 s PHE 149 Ca -0.01 0.24 0.04 0.00 0.12 0.00 0.00 56.93 57.31 3k77 s PHE 149 Cb -0.14 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 3k77 s PHE 149 CO -0.05 0.56 -0.12 -1.01 -0.10 0.00 0.00 175.22 174.50 3k77 s HIS 150 N -1.15 1.05 0.60 0.36 3.76 -0.80 -0.40 115.29 118.71 3k77 s HIS 150 Ca 0.21 -0.22 -0.05 0.00 -0.15 0.00 0.00 55.06 54.86 3k77 s HIS 150 Cb -0.12 -0.67 0.02 0.00 1.11 0.00 0.00 32.58 32.92 3k77 s HIS 150 CO 0.12 -0.01 0.90 -1.54 -0.85 0.00 0.00 174.74 173.35 3k77 s SER 151 N -0.39 5.41 0.51 1.40 1.04 0.80 0.33 113.70 122.80 3k77 s SER 151 Ca 0.04 0.56 -0.23 0.00 0.48 0.00 0.00 55.95 56.80 3k77 s SER 151 Cb -0.05 -1.49 -0.06 0.00 0.10 0.00 0.00 66.02 64.53 3k77 s SER 151 CO -0.00 -1.16 1.38 -2.84 0.98 0.00 0.00 173.24 171.60 3k77 s PRO 152 N -4.99 3.32 0.00 4.02 0.02 -1.25 -3.19 135.00 132.93 3k77 s PRO 152 Ca 0.55 2.30 0.29 0.00 0.02 0.00 0.00 61.00 64.17 3k77 s PRO 152 Cb -0.11 -2.39 1.75 0.00 0.02 0.00 0.00 34.50 33.78 3k77 s PRO 152 CO 0.44 -1.07 2.09 -2.30 -0.33 0.00 0.00 177.00 175.83