#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 4.14 0.18 -0.52 2.12 -1.26 -0.14 118.70 123.22 3k77 s GLU 3 Ca 0.00 2.55 -0.29 0.00 0.36 0.00 0.00 54.97 57.58 3k77 s GLU 3 Cb 0.00 -3.07 -0.08 0.00 0.26 0.00 0.00 34.13 31.24 3k77 s GLU 3 CO 0.00 -0.68 0.92 0.42 -0.54 0.00 0.00 175.26 175.38 3k77 s ILE 4 N 0.75 4.27 -0.02 -3.70 1.01 0.86 -4.82 121.20 119.56 3k77 s ILE 4 Ca 0.70 2.02 -0.18 0.00 0.00 0.00 0.00 60.65 63.19 3k77 s ILE 4 Cb -0.48 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.64 3k77 s ILE 4 CO 0.37 0.44 0.49 -0.13 0.00 0.00 0.00 174.94 176.11 3k77 s ARG 5 N -0.74 4.17 -0.17 2.79 0.52 -1.26 -4.66 118.95 119.60 3k77 s ARG 5 Ca 0.42 0.55 -0.05 0.00 -0.52 0.00 0.00 55.73 56.13 3k77 s ARG 5 Cb -0.25 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.89 3k77 s ARG 5 CO 0.30 0.47 -0.01 -0.51 0.02 0.00 0.00 175.30 175.57 3k77 s LEU 6 N -0.42 3.38 -0.11 2.53 1.43 -1.26 -1.95 118.68 122.28 3k77 s LEU 6 Ca 0.27 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3k77 s LEU 6 Cb -0.17 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 3k77 s LEU 6 CO 0.14 0.14 0.01 -0.09 0.23 0.00 0.00 176.35 176.79 3k77 h ARG 7 N 6.89 0.00 -3.36 1.70 2.43 0.05 -3.45 114.38 118.63 3k77 h ARG 7 Ca -0.33 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.81 3k77 h ARG 7 Cb 1.18 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.67 3k77 h ARG 7 CO 0.64 0.04 0.06 -3.38 -1.51 0.00 0.00 179.97 175.82 3k77 s HIS 8 N -1.64 0.19 -0.31 2.20 -3.43 -1.15 -5.00 115.29 106.15 3k77 s HIS 8 Ca -0.02 -0.63 -0.20 0.00 -0.80 0.00 0.00 55.06 53.41 3k77 s HIS 8 Cb 0.00 0.45 -0.01 0.00 -1.43 0.00 0.00 32.58 31.59 3k77 s HIS 8 CO 0.05 -1.18 0.61 0.08 -2.00 0.00 0.00 174.74 172.29 3k77 s VAL 9 N -3.63 4.95 0.05 -5.38 1.01 -1.26 -0.20 120.40 115.93 3k77 s VAL 9 Ca 0.18 0.77 -0.12 0.00 0.00 0.00 0.00 61.98 62.81 3k77 s VAL 9 Cb -0.03 -3.99 -0.33 0.00 0.00 0.00 0.00 36.38 32.03 3k77 s VAL 9 CO 0.10 -0.15 1.06 0.58 0.00 0.00 0.00 175.10 176.69 3k77 h VAL 10 N 5.55 1.34 -2.78 2.92 2.07 -0.72 -3.48 116.25 121.15 3k77 h VAL 10 Ca -0.27 -2.76 -0.01 0.00 0.82 0.00 0.00 66.70 64.48 3k77 h VAL 10 Cb 1.12 2.96 -0.13 0.00 -1.52 0.00 0.00 31.29 33.72 3k77 h VAL 10 CO 0.79 0.82 0.25 -0.94 0.02 0.00 0.00 177.57 178.52 3k77 s SER 11 N -7.44 -0.55 -0.20 0.57 1.04 -1.19 -4.97 113.70 100.96 3k77 s SER 11 Ca -0.08 0.08 -0.10 0.00 0.48 0.00 0.00 55.95 56.34 3k77 s SER 11 Cb 0.05 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.81 3k77 s SER 11 CO 0.93 -0.88 0.47 0.00 0.98 0.00 0.00 173.24 174.74 3k77 h SER 13 N 7.41 0.00 -2.86 0.00 4.64 -0.61 -3.46 113.55 118.68 3k77 h SER 13 Ca -0.29 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.12 3k77 h SER 13 Cb 1.17 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.99 3k77 h SER 13 CO 0.22 0.37 0.47 -0.55 -0.87 0.00 0.00 176.83 176.47 3k77 s SER 14 N -6.43 -0.43 0.05 4.97 0.15 -1.26 -4.90 113.70 105.84 3k77 s SER 14 Ca 0.00 0.78 -0.19 0.00 0.70 0.00 0.00 55.95 57.24 3k77 s SER 14 Cb 0.11 0.93 0.04 0.00 -1.71 0.00 0.00 66.02 65.39 3k77 s SER 14 CO 0.69 -0.13 0.44 0.00 1.20 0.00 0.00 173.24 175.44 3k77 s GLN 15 N 0.62 0.96 0.50 5.44 -2.07 -1.26 -4.47 119.66 119.39 3k77 s GLN 15 Ca -0.01 -0.35 -0.06 0.00 -1.82 0.00 0.00 55.36 53.12 3k77 s GLN 15 Cb -0.04 0.43 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 3k77 s GLN 15 CO -0.10 -0.34 0.83 0.34 -1.32 0.00 0.00 175.29 174.70 3k77 s ASP 16 N -2.05 6.27 0.25 12.60 -1.08 -0.08 -3.40 116.67 129.19 3k77 s ASP 16 Ca -0.05 1.03 0.02 0.00 -0.52 0.00 0.00 52.55 53.03 3k77 s ASP 16 Cb -0.01 -2.29 0.32 0.00 -1.46 0.00 0.00 42.92 39.48 3k77 s ASP 16 CO -0.03 -0.62 1.64 0.77 0.52 0.00 0.00 175.17 177.45 3k77 h SER 17 N 0.17 0.44 0.00 -0.34 4.64 -1.93 -3.12 113.55 113.40 3k77 h SER 17 Ca -0.46 -0.19 -0.34 0.00 -0.47 0.00 0.00 61.79 60.32 3k77 h SER 17 Cb 1.20 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.12 3k77 h SER 17 CO 0.62 0.81 -1.91 0.35 -0.87 0.00 0.00 176.83 175.82 3k77 n THR 18 N -4.02 1.53 -2.50 2.95 -2.24 -1.26 -4.62 114.28 104.12 3k77 n THR 18 Ca -0.02 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.13 3k77 n THR 18 Cb 0.50 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 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 -4.34 3.39 -3.27 4.78 8.25 -1.25 -4.89 115.22 117.89 3k77 n HIS 19 Ca -0.43 -2.92 -0.21 0.00 -0.26 0.00 0.00 57.72 53.90 3k77 n HIS 19 Cb 0.77 -1.98 0.00 0.00 1.12 0.00 0.00 29.99 29.90 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 0.67 1.73 -1.16 0.00 0.00 -1.86 -1.92 119.26 116.72 3k77 h ALA 21 Ca -0.47 0.01 0.34 0.00 0.00 0.00 0.00 54.91 54.80 3k77 h ALA 21 Cb 1.25 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.78 3k77 h ALA 21 CO 0.56 0.03 0.75 1.49 0.00 0.00 0.00 179.25 182.08 3k77 h GLU 22 N 0.78 0.24 0.00 0.00 4.81 -1.95 -0.43 114.58 118.04 3k77 h GLU 22 Ca 0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 3k77 h GLU 22 Cb 0.62 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3k77 h GLU 22 CO -0.21 0.16 0.02 -0.91 -0.73 0.00 0.00 179.01 177.33 3k77 h ASN 23 N 0.24 0.00 0.54 1.04 2.35 -1.62 -1.55 115.58 116.59 3k77 h ASN 23 Ca 0.70 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.45 3k77 h ASN 23 Cb 2.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.37 3k77 h ASN 23 CO -0.36 0.00 -0.54 0.18 -1.65 0.00 0.00 177.43 175.06 3k77 n LEU 24 N -2.36 0.53 0.17 1.61 4.77 -0.17 -4.15 117.00 117.39 3k77 n LEU 24 Ca -0.02 0.03 0.03 0.00 -0.03 0.00 0.00 56.01 56.03 3k77 n LEU 24 Cb 0.06 -0.24 0.41 0.00 -2.33 0.00 0.00 43.42 41.33 3k77 n LEU 24 CO 0.11 0.10 0.85 -0.07 -1.33 0.00 0.00 177.39 177.05 3k77 h LEU 25 N 0.00 0.11 -7.84 2.23 3.38 -1.45 -3.41 115.31 108.33 3k77 h LEU 25 Ca 0.00 -0.02 -0.46 0.00 0.09 0.00 0.00 57.88 57.49 3k77 h LEU 25 Cb 0.54 -0.03 -0.34 0.00 0.09 0.00 0.00 40.66 40.93 3k77 h LEU 25 CO 0.00 0.32 -0.79 -0.54 0.09 0.00 0.00 178.44 177.52 3k77 s LYS 26 N -4.57 1.21 0.50 1.13 1.02 -1.26 -4.19 119.74 113.58 3k77 s LYS 26 Ca -0.04 -0.24 0.29 0.00 0.02 0.00 0.00 55.97 56.00 3k77 s LYS 26 Cb 0.15 -1.09 1.13 0.00 -0.52 0.00 0.00 37.83 37.49 3k77 s LYS 26 CO 0.72 -0.04 1.90 0.00 -0.92 0.00 0.00 175.35 177.01 3k77 h ALA 27 N 7.12 1.01 -0.86 5.17 0.00 -1.81 -3.17 119.26 126.71 3k77 h ALA 27 Ca -0.35 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 54.74 3k77 h ALA 27 Cb 1.17 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3k77 h ALA 27 CO 0.47 0.09 0.61 -0.44 0.00 0.00 0.00 179.25 179.99 3k77 h ASP 28 N 0.00 0.05 0.57 0.00 3.32 -1.95 -3.23 116.42 115.18 3k77 h ASP 28 Ca -0.00 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3k77 h ASP 28 Cb 0.64 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3k77 h ASP 28 CO 0.01 0.02 -0.58 0.74 -1.72 0.00 0.00 179.24 177.70 3k77 h THR 29 N 0.05 1.42 -1.09 0.35 2.02 -1.88 -3.46 112.91 110.32 3k77 h THR 29 Ca 0.41 -2.00 -0.29 0.00 0.77 0.00 0.00 66.41 65.30 3k77 h THR 29 Cb 1.58 2.07 -0.09 0.00 -1.74 0.00 0.00 68.15 69.97 3k77 h THR 29 CO -0.03 0.57 -0.30 -1.22 0.37 0.00 0.00 175.52 174.92 3k77 n TYR 30 N -3.85 -0.20 -4.11 3.16 0.53 -1.22 -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 56.55 3k77 n TYR 30 Cb 0.59 -2.71 -0.07 0.00 -1.03 0.00 0.00 39.34 36.12 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 -3.66 2.94 0.25 -0.72 0.52 -1.26 -5.12 118.95 111.90 3k77 s ARG 31 Ca 0.00 -0.59 0.08 0.00 -0.52 0.00 0.00 55.73 54.70 3k77 s ARG 31 Cb 0.00 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 3k77 s ARG 31 CO 0.00 0.61 0.13 0.15 0.02 0.00 0.00 175.30 176.21 3k77 s LYS 32 N -1.97 2.74 -0.15 3.54 1.02 -1.26 -4.64 119.74 119.02 3k77 s LYS 32 Ca 0.25 -1.14 -0.01 0.00 0.02 0.00 0.00 55.97 55.09 3k77 s LYS 32 Cb -0.12 -2.46 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 3k77 s LYS 32 CO 0.17 0.40 -0.12 -0.46 -0.92 0.00 0.00 175.35 174.42 3k77 s TRP 33 N -2.15 2.84 0.06 3.18 -0.00 -0.36 -3.40 118.94 119.12 3k77 s TRP 33 Ca 0.32 -0.73 -0.00 0.00 -0.00 0.00 0.00 56.10 55.69 3k77 s TRP 33 Cb -0.08 -1.90 -0.04 0.00 -0.00 0.00 0.00 33.47 31.46 3k77 s TRP 33 CO 0.23 -0.29 -0.04 1.03 -0.00 0.00 0.00 176.95 177.88 3k77 s ARG 34 N 0.59 0.67 0.52 5.86 0.52 -0.19 -1.26 118.95 125.67 3k77 s ARG 34 Ca -0.07 -1.24 -0.21 0.00 -0.52 0.00 0.00 55.73 53.70 3k77 s ARG 34 Cb -0.15 0.07 -0.06 0.00 0.52 0.00 0.00 34.95 35.32 3k77 s ARG 34 CO 0.03 -0.08 1.16 0.00 0.02 0.00 0.00 175.30 176.43 3k77 s ALA 35 N -3.73 2.78 0.46 2.13 0.00 -0.77 -0.91 121.76 121.73 3k77 s ALA 35 Ca 0.08 0.90 0.11 0.00 0.00 0.00 0.00 51.96 53.05 3k77 s ALA 35 Cb 0.06 -3.39 1.05 0.00 0.00 0.00 0.00 23.12 20.85 3k77 s ALA 35 CO -0.08 -0.79 2.10 0.00 0.00 0.00 0.00 175.76 176.99 3k77 h ALA 36 N 1.48 1.85 -2.71 0.00 0.00 -1.78 -3.36 119.26 114.74 3k77 h ALA 36 Ca -0.50 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 3k77 h ALA 36 Cb 1.26 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.78 3k77 h ALA 36 CO 0.58 0.14 -0.70 0.15 0.00 0.00 0.00 179.25 179.43 3k77 s LYS 37 N -5.29 0.45 0.50 0.00 -0.14 -1.26 -4.84 119.74 109.17 3k77 s LYS 37 Ca -0.07 -0.86 -0.20 0.00 -1.36 0.00 0.00 55.97 53.48 3k77 s LYS 37 Cb 0.17 0.10 -0.07 0.00 -1.68 0.00 0.00 37.83 36.35 3k77 s LYS 37 CO 0.70 -0.06 1.10 0.00 -0.76 0.00 0.00 175.35 176.33 3k77 s ALA 38 N -2.39 2.81 0.00 5.17 0.00 -1.26 -4.01 121.76 122.09 3k77 s ALA 38 Ca -0.06 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.65 3k77 s ALA 38 Cb -0.03 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3k77 s ALA 38 CO -0.04 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.56 3k77 n GLY 39 N 0.07 0.75 3.63 0.00 0.00 -1.15 -4.91 105.19 103.58 3k77 n GLY 39 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.47 4.01 0.44 1.61 2.02 -1.26 -4.93 118.70 120.13 3k77 s GLU 40 Ca 0.00 0.93 0.11 0.00 0.02 0.00 0.00 54.97 56.03 3k77 s GLU 40 Cb 0.00 -3.75 0.97 0.00 0.10 0.00 0.00 34.13 31.45 3k77 s GLU 40 CO 0.00 -0.89 2.03 0.87 0.02 0.00 0.00 175.26 177.29 3k77 h LYS 41 N 8.17 0.21 -3.57 1.61 1.57 -1.95 -3.43 116.57 119.18 3k77 h LYS 41 Ca -0.21 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 3k77 h LYS 41 Cb 1.07 -0.04 -0.16 0.00 0.08 0.00 0.00 32.23 33.18 3k77 h LYS 41 CO 1.01 0.24 -0.34 0.95 -0.57 0.00 0.00 179.45 180.74 3k77 s THR 42 N -5.00 0.11 0.10 -0.16 -4.23 -1.26 -0.63 115.64 104.57 3k77 s THR 42 Ca -0.06 -0.92 -0.08 0.00 -1.18 0.00 0.00 61.69 59.46 3k77 s THR 42 Cb 0.16 -1.05 -0.01 0.00 1.34 0.00 0.00 72.50 72.94 3k77 s THR 42 CO 0.71 -0.51 0.18 0.27 -0.54 0.00 0.00 174.62 174.74 3k77 s ILE 43 N -2.99 0.13 -0.01 2.99 -4.36 0.01 -5.00 121.20 111.96 3k77 s ILE 43 Ca -0.02 -1.33 -0.16 0.00 -0.26 0.00 0.00 60.65 58.88 3k77 s ILE 43 Cb 0.01 -1.51 0.03 0.00 1.25 0.00 0.00 42.46 42.23 3k77 s ILE 43 CO -0.06 -0.59 0.33 -0.55 0.24 0.00 0.00 174.94 174.31 3k77 s SER 44 N -2.90 -0.22 -0.05 4.36 0.15 -1.26 -0.99 113.70 112.79 3k77 s SER 44 Ca 0.09 0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.80 3k77 s SER 44 Cb 0.05 0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.70 3k77 s SER 44 CO -0.08 -0.46 0.16 0.68 1.20 0.00 0.00 173.24 174.75 3k77 s VAL 45 N -1.34 0.01 -0.19 4.45 -7.23 -0.95 0.22 120.40 115.38 3k77 s VAL 45 Ca -0.13 -0.11 -0.04 0.00 -1.81 0.00 0.00 61.98 59.89 3k77 s VAL 45 Cb -0.05 -0.27 -0.02 0.00 0.56 0.00 0.00 36.38 36.60 3k77 s VAL 45 CO 0.04 -0.06 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.06 3k77 s VAL 46 N -0.14 3.77 -0.10 1.32 1.01 0.06 -1.19 120.40 125.13 3k77 s VAL 46 Ca -0.02 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 3k77 s VAL 46 Cb -0.02 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3k77 s VAL 46 CO 0.00 0.44 -0.01 -0.76 0.00 0.00 0.00 175.10 174.77 3k77 s LEU 47 N 0.96 3.47 -0.22 3.92 1.43 0.10 0.05 118.68 128.39 3k77 s LEU 47 Ca 0.01 0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.01 3k77 s LEU 47 Cb -0.14 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3k77 s LEU 47 CO 0.01 0.33 0.42 -1.58 0.23 0.00 0.00 176.35 175.76 3k77 s GLN 48 N -0.57 4.13 0.60 1.70 2.00 0.71 -0.84 119.66 127.39 3k77 s GLN 48 Ca 0.09 0.22 -0.15 0.00 -2.00 0.00 0.00 55.36 53.52 3k77 s GLN 48 Cb -0.12 -3.58 -0.03 0.00 0.80 0.00 0.00 33.01 30.08 3k77 s GLN 48 CO 0.02 -0.14 1.05 -0.51 -0.50 0.00 0.00 175.29 175.22 3k77 s LEU 49 N 1.62 3.47 0.27 3.68 1.43 0.36 0.71 118.68 130.20 3k77 s LEU 49 Ca 0.19 1.78 -0.01 0.00 -1.03 0.00 0.00 54.13 55.07 3k77 s LEU 49 Cb -0.15 -4.53 0.36 0.00 0.03 0.00 0.00 46.19 41.90 3k77 s LEU 49 CO 0.09 -1.16 1.74 -0.33 0.23 0.00 0.00 176.35 176.92 3k77 h GLU 50 N 0.35 0.69 -4.32 1.70 5.08 -1.71 -3.41 114.58 112.96 3k77 h GLU 50 Ca -0.47 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 57.53 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 0.77 -0.65 -1.59 -1.00 0.00 0.00 179.01 177.11 3k77 s LYS 51 N -4.81 0.78 0.15 2.33 -2.85 -1.26 -5.01 119.74 109.07 3k77 s LYS 51 Ca -0.09 -1.33 -0.31 0.00 -1.00 0.00 0.00 55.97 53.25 3k77 s LYS 51 Cb 0.14 0.23 -0.09 0.00 -2.06 0.00 0.00 37.83 36.06 3k77 s LYS 51 CO 0.80 -0.19 1.40 -2.00 0.10 0.00 0.00 175.35 175.46 3k77 s GLU 52 N -3.99 4.32 0.08 1.78 2.12 -1.26 -4.69 118.70 117.06 3k77 s GLU 52 Ca 0.16 2.12 -0.10 0.00 0.36 0.00 0.00 54.97 57.52 3k77 s GLU 52 Cb 0.08 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.26 3k77 s GLU 52 CO -0.04 -0.42 0.21 -1.21 -0.54 0.00 0.00 175.26 173.26 3k77 s GLU 53 N 0.74 0.82 -0.08 4.30 2.02 0.14 -4.84 118.70 121.81 3k77 s GLU 53 Ca 0.63 -0.85 -0.18 0.00 0.02 0.00 0.00 54.97 54.60 3k77 s GLU 53 Cb -0.38 0.34 -0.05 0.00 0.10 0.00 0.00 34.13 34.14 3k77 s GLU 53 CO 0.33 -0.26 0.49 -1.14 0.02 0.00 0.00 175.26 174.70 3k77 s GLN 54 N -3.50 4.27 -0.23 1.61 0.74 -1.26 -0.78 119.66 120.51 3k77 s GLN 54 Ca 0.02 0.50 -0.15 0.00 0.05 0.00 0.00 55.36 55.78 3k77 s GLN 54 Cb 0.03 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.72 3k77 s GLN 54 CO -0.09 0.28 0.35 0.42 -0.55 0.00 0.00 175.29 175.70 3k77 s ILE 55 N 0.20 5.22 -0.20 -2.34 1.01 -1.26 -3.83 121.20 119.99 3k77 s ILE 55 Ca 0.27 0.58 -0.03 0.00 0.00 0.00 0.00 60.65 61.46 3k77 s ILE 55 Cb -0.16 -3.68 -0.20 0.00 0.01 0.00 0.00 42.46 38.42 3k77 s ILE 55 CO 0.12 0.23 0.02 1.57 0.00 0.00 0.00 174.94 176.88 3k77 n HIS 56 N 4.74 0.55 -3.78 3.97 -0.00 0.12 -4.89 115.22 115.92 3k77 n HIS 56 Ca -0.09 0.12 -0.10 0.00 -0.00 0.00 0.00 57.72 57.65 3k77 n HIS 56 Cb 0.51 -1.07 -0.07 0.00 -0.00 0.00 0.00 29.99 29.36 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 -6.80 -0.03 -0.07 0.26 0.15 -1.14 -2.45 113.70 103.62 3k77 s SER 57 Ca -0.30 -0.42 -0.03 0.00 0.70 0.00 0.00 55.95 55.90 3k77 s SER 57 Cb 0.08 0.37 0.04 0.00 -1.71 0.00 0.00 66.02 64.80 3k77 s SER 57 CO 0.66 -0.71 0.13 -0.69 1.20 0.00 0.00 173.24 173.83 3k77 s VAL 58 N -3.35 -0.19 -0.13 4.45 1.01 -0.44 -2.01 120.40 119.74 3k77 s VAL 58 Ca 0.01 0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.28 3k77 s VAL 58 Cb 0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 3k77 s VAL 58 CO -0.08 0.15 0.07 -1.81 0.00 0.00 0.00 175.10 173.43 3k77 s ASP 59 N 2.09 5.79 -0.13 3.32 1.01 0.37 -0.13 116.67 128.99 3k77 s ASP 59 Ca 0.02 0.24 0.01 0.00 0.71 0.00 0.00 52.55 53.52 3k77 s ASP 59 Cb -0.12 -1.86 0.02 0.00 1.01 0.00 0.00 42.92 41.97 3k77 s ASP 59 CO -0.05 0.31 -0.15 -0.63 0.21 0.00 0.00 175.17 174.86 3k77 s ILE 60 N -0.47 1.58 -0.40 0.77 -1.09 -0.31 -1.39 121.20 119.88 3k77 s ILE 60 Ca 0.10 -0.66 -0.13 0.00 -2.23 0.00 0.00 60.65 57.73 3k77 s ILE 60 Cb -0.12 -1.46 0.03 0.00 -1.58 0.00 0.00 42.46 39.33 3k77 s ILE 60 CO 0.02 0.46 0.26 -0.83 -1.23 0.00 0.00 174.94 173.62 3k77 s GLY 61 N 1.21 1.98 1.02 6.18 0.00 -0.45 -0.96 107.32 116.31 3k77 s GLY 61 Ca -0.01 -1.74 -0.14 0.00 0.00 0.00 0.00 44.72 42.84 3k77 s GLY 61 CO -0.06 0.89 1.11 0.21 0.00 0.00 0.00 173.10 175.25 3k77 s ASN 62 N 1.65 2.48 -0.41 1.64 2.47 -0.42 0.87 114.94 123.22 3k77 s ASN 62 Ca 0.04 1.00 0.06 0.00 0.42 0.00 0.00 52.86 54.37 3k77 s ASN 62 Cb -0.19 -1.56 0.32 0.00 -1.45 0.00 0.00 41.25 38.36 3k77 s ASN 62 CO 0.08 -3.20 1.22 -0.67 -3.72 0.00 0.00 177.10 170.81 3k77 n ASP 63 N -4.20 -1.95 0.00 -4.21 2.03 -0.78 -3.28 116.55 104.15 3k77 n ASP 63 Ca 0.07 -2.99 0.00 0.00 0.52 0.00 0.00 54.79 52.39 3k77 n ASP 63 Cb 0.58 1.58 0.00 0.00 -0.72 0.00 0.00 41.12 42.57 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 0.23 0.43 3.82 0.27 0.00 -0.63 -1.11 105.19 108.21 3k77 n GLY 64 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.11 6.93 -0.12 1.61 0.01 -1.25 -4.74 113.70 114.02 3k77 s SER 65 Ca 0.00 1.65 0.03 0.00 1.31 0.00 0.00 55.95 58.94 3k77 s SER 65 Cb 0.00 -2.52 -0.24 0.00 0.21 0.00 0.00 66.02 63.47 3k77 s SER 65 CO 0.00 -0.34 0.35 0.00 0.41 0.00 0.00 173.24 173.66 3k77 n ALA 66 N -0.60 1.21 -2.74 1.44 0.00 0.26 -4.13 120.51 115.96 3k77 n ALA 66 Ca 0.07 -0.79 -0.17 0.00 0.00 0.00 0.00 53.44 52.55 3k77 n ALA 66 Cb 0.54 -0.60 -0.12 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.56 1.00 -0.03 0.00 0.08 -0.98 -0.99 117.98 114.51 3k77 s PHE 67 Ca -0.17 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.47 3k77 s PHE 67 Cb 0.07 -0.59 0.02 0.00 -0.57 0.00 0.00 43.02 41.95 3k77 s PHE 67 CO 0.77 0.01 -0.03 0.08 -0.10 0.00 0.00 175.22 175.95 3k77 s VAL 68 N -1.09 0.35 -0.01 -0.44 1.01 -0.09 -1.49 120.40 118.63 3k77 s VAL 68 Ca -0.03 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 61.94 3k77 s VAL 68 Cb -0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 3k77 s VAL 68 CO 0.01 0.16 -0.20 -0.70 0.00 0.00 0.00 175.10 174.37 3k77 s GLU 69 N 0.62 1.55 -0.13 2.72 2.12 0.65 -0.98 118.70 125.26 3k77 s GLU 69 Ca -0.07 -0.73 0.02 0.00 0.36 0.00 0.00 54.97 54.54 3k77 s GLU 69 Cb -0.10 -1.53 0.01 0.00 0.26 0.00 0.00 34.13 32.78 3k77 s GLU 69 CO -0.01 0.41 -0.18 0.08 -0.54 0.00 0.00 175.26 175.03 3k77 s VAL 70 N -0.51 1.74 0.24 3.70 1.01 -0.84 -0.01 120.40 125.73 3k77 s VAL 70 Ca 0.07 -0.78 0.12 0.00 0.00 0.00 0.00 61.98 61.39 3k77 s VAL 70 Cb -0.08 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 3k77 s VAL 70 CO -0.00 0.49 -0.21 -0.76 0.00 0.00 0.00 175.10 174.62 3k77 s LEU 71 N 0.99 2.55 0.05 3.92 1.02 0.13 -0.69 118.68 126.65 3k77 s LEU 71 Ca -0.05 -0.93 0.07 0.00 0.02 0.00 0.00 54.13 53.24 3k77 s LEU 71 Cb -0.15 -1.17 -0.03 0.00 0.02 0.00 0.00 46.19 44.87 3k77 s LEU 71 CO -0.03 0.08 -0.21 0.68 0.02 0.00 0.00 176.35 176.88 3k77 s VAL 72 N -2.12 1.70 0.28 -1.59 -7.23 0.15 -0.13 120.40 111.47 3k77 s VAL 72 Ca 0.26 -1.24 -0.05 0.00 -1.81 0.00 0.00 61.98 59.14 3k77 s VAL 72 Cb -0.06 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.41 3k77 s VAL 72 CO 0.13 0.19 0.45 0.61 -0.31 0.00 0.00 175.10 176.17 3k77 n GLY 73 N 1.77 1.98 3.28 2.32 0.00 -0.84 -0.41 105.19 113.29 3k77 n GLY 73 Ca -0.17 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.65 2.62 0.27 1.61 0.15 -1.26 -1.67 113.70 112.77 3k77 s SER 74 Ca 0.19 -0.61 0.25 0.00 0.70 0.00 0.00 55.95 56.48 3k77 s SER 74 Cb -0.02 -0.19 0.57 0.00 -1.71 0.00 0.00 66.02 64.67 3k77 s SER 74 CO 0.14 0.13 1.64 0.77 1.20 0.00 0.00 173.24 177.11 3k77 h SER 75 N 4.48 0.00 -3.27 5.45 4.64 -1.88 -3.38 113.55 119.58 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 1.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3k77 h SER 75 CO 0.42 0.01 0.57 0.00 -0.87 0.00 0.00 176.83 176.96 3k77 s ALA 76 N -3.16 3.42 -1.12 5.18 0.00 -1.26 -2.83 121.76 122.00 3k77 s ALA 76 Ca 0.08 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3k77 s ALA 76 Cb 0.10 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.78 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 2.89 -0.06 4.97 0.00 0.00 -1.26 -4.74 105.19 107.00 3k77 n GLY 77 Ca 0.08 -0.35 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 -1.04 -1.52 2.82 -0.02 0.00 -1.13 -4.87 105.19 99.43 3k77 n GLY 78 Ca -0.15 -1.17 -0.15 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 -1.77 -0.50 0.67 4.61 0.00 -1.26 -4.57 121.76 118.93 3k77 s ALA 79 Ca 0.00 0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.48 3k77 s ALA 79 Cb 0.00 -1.38 0.11 0.00 0.00 0.00 0.00 23.12 21.85 3k77 s ALA 79 CO 0.00 -1.17 0.92 0.20 0.00 0.00 0.00 175.76 175.71 3k77 s GLY 80 N 2.39 1.75 0.08 0.00 0.00 -1.26 -4.95 107.32 105.33 3k77 s GLY 80 Ca 0.08 -1.88 -0.29 0.00 0.00 0.00 0.00 44.72 42.63 3k77 s GLY 80 CO -0.13 -1.35 1.67 0.83 0.00 0.00 0.00 173.10 174.12 3k77 h GLU 81 N -0.27 -0.55 -0.54 2.90 4.39 -2.01 -2.00 114.58 116.49 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 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 3k77 h GLU 81 CO 0.40 -0.37 0.00 1.04 -1.16 0.00 0.00 179.01 178.93 3k77 n GLN 82 N -5.34 0.77 -0.07 2.33 1.13 -1.26 -3.36 117.38 111.59 3k77 n GLN 82 Ca -0.11 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 54.90 3k77 n GLN 82 Cb 0.25 -1.27 -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 0.54 -4.71 1.08 4.64 -0.75 -4.93 116.55 112.34 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 1.16 -0.03 0.00 -1.04 0.00 0.00 41.12 41.34 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 -2.64 3.60 0.29 -0.67 1.51 -1.21 -4.77 117.35 113.45 3k77 s TYR 84 Ca -0.09 1.63 -0.17 0.00 -1.01 0.00 0.00 57.07 57.44 3k77 s TYR 84 Cb 0.07 -3.17 -0.09 0.00 -0.11 0.00 0.00 41.96 38.66 3k77 s TYR 84 CO 0.76 -0.21 0.74 -2.00 -1.11 0.00 0.00 175.55 173.73 3k77 s GLU 85 N 1.23 4.10 -0.10 -0.62 2.56 0.45 -4.85 118.70 121.47 3k77 s GLU 85 Ca 0.52 0.76 -0.27 0.00 0.00 0.00 0.00 54.97 55.98 3k77 s GLU 85 Cb -0.21 -2.57 -0.02 0.00 2.00 0.00 0.00 34.13 33.32 3k77 s GLU 85 CO 0.26 0.23 0.88 0.08 -0.56 0.00 0.00 175.26 176.15 3k77 s VAL 86 N -1.83 4.89 -0.27 3.70 1.01 -1.26 0.34 120.40 126.96 3k77 s VAL 86 Ca 0.51 1.78 -0.14 0.00 0.00 0.00 0.00 61.98 64.13 3k77 s VAL 86 Cb -0.12 -4.20 -0.12 0.00 0.00 0.00 0.00 36.38 31.94 3k77 s VAL 86 CO 0.18 0.09 -0.34 -0.11 0.00 0.00 0.00 175.10 174.92 3k77 n LEU 87 N 4.62 1.96 -4.24 3.92 7.94 0.13 -4.63 117.00 126.70 3k77 n LEU 87 Ca 0.05 0.34 -0.37 0.00 -1.11 0.00 0.00 56.01 54.92 3k77 n LEU 87 Cb 0.50 -0.82 -0.13 0.00 0.53 0.00 0.00 43.42 43.50 3k77 n LEU 87 CO 0.50 0.54 -0.30 -0.22 -1.11 0.00 0.00 177.39 176.80 3k77 s LEU 88 N -7.53 4.10 0.71 -1.96 2.96 -0.27 -0.48 118.68 116.21 3k77 s LEU 88 Ca -0.38 -1.16 -0.16 0.00 -0.22 0.00 0.00 54.13 52.21 3k77 s LEU 88 Cb 0.14 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 45.04 3k77 s LEU 88 CO 0.49 -0.29 1.11 0.55 -1.32 0.00 0.00 176.35 176.89 3k77 n VAL 89 N 4.74 3.42 -1.51 1.68 3.14 -1.26 -1.99 118.33 126.55 3k77 n VAL 89 Ca -0.13 -0.39 -0.63 0.00 -2.96 0.00 0.00 64.34 60.23 3k77 n VAL 89 Cb 0.44 -1.24 -0.11 0.00 -1.06 0.00 0.00 33.84 31.87 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 -2.42 0.03 -4.90 1.55 -1.04 -1.26 -4.78 114.28 101.47 3k77 n THR 90 Ca 0.14 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.05 61.81 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 4.60 3.87 0.16 8.00 0.01 -0.15 -4.92 113.70 125.27 3k77 s SER 91 Ca 1.11 -0.27 -0.25 0.00 1.31 0.00 0.00 55.95 57.85 3k77 s SER 91 Cb -1.43 -0.74 -0.08 0.00 0.21 0.00 0.00 66.02 63.98 3k77 s SER 91 CO 0.72 0.33 0.77 -0.55 0.41 0.00 0.00 173.24 174.92 3k77 s SER 92 N -0.85 7.38 0.00 2.44 0.15 -1.26 -0.92 113.70 120.64 3k77 s SER 92 Ca 0.12 1.64 0.00 0.00 0.70 0.00 0.00 55.95 58.41 3k77 s SER 92 Cb -0.11 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 3k77 s SER 92 CO 0.01 0.21 0.01 0.49 1.20 0.00 0.00 173.24 175.17 3k77 n PHE 93 N 1.61 0.00 -3.64 3.44 3.72 -0.16 -4.96 117.46 117.46 3k77 n PHE 93 Ca -0.06 0.00 -0.10 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 -0.50 0.72 0.72 -1.08 1.75 -1.17 -4.78 119.30 114.96 3k77 s MET 94 Ca 0.00 1.03 -0.09 0.00 -1.25 0.00 0.00 55.69 55.38 3k77 s MET 94 Cb 0.00 0.26 0.06 0.00 2.84 0.00 0.00 34.83 37.99 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 0.94 4.88 0.19 1.11 1.04 -1.26 -4.69 113.70 115.90 3k77 s SER 95 Ca -0.04 0.66 -0.12 0.00 0.48 0.00 0.00 55.95 56.93 3k77 s SER 95 Cb -0.05 -1.32 0.15 0.00 0.10 0.00 0.00 66.02 64.90 3k77 s SER 95 CO -0.09 -1.60 1.82 -0.65 0.98 0.00 0.00 173.24 173.69 3k77 h PRO 96 N -0.70 0.64 -0.23 4.02 0.11 -1.98 0.24 132.00 134.10 3k77 h PRO 96 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3k77 h PRO 96 Cb 1.31 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3k77 h PRO 96 CO 0.63 0.42 0.11 0.77 -0.21 0.00 0.00 178.00 179.72 3k77 h SER 97 N 0.65 0.30 -0.24 -2.05 0.02 -1.96 0.11 113.55 110.39 3k77 h SER 97 Ca 0.24 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3k77 h SER 97 Cb 0.07 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3k77 h SER 97 CO -0.12 0.34 0.09 -0.33 -1.14 0.00 0.00 176.83 175.67 3k77 h GLU 98 N 0.24 0.37 -0.77 3.45 5.08 -1.83 -1.18 114.58 119.94 3k77 h GLU 98 Ca 0.08 -0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3k77 h GLU 98 Cb 0.12 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 3k77 h GLU 98 CO -0.01 0.42 0.40 0.77 -1.00 0.00 0.00 179.01 179.59 3k77 h SER 99 N 0.24 0.54 -0.50 1.42 0.02 -0.27 1.65 113.55 116.65 3k77 h SER 99 Ca 0.08 0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 3k77 h SER 99 Cb 0.19 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3k77 h SER 99 CO -0.01 0.30 -0.17 0.03 -1.14 0.00 0.00 176.83 175.85 3k77 h ARG 100 N 0.67 1.00 0.00 3.45 3.08 -0.50 -3.21 114.38 118.87 3k77 h ARG 100 Ca 0.38 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3k77 h ARG 100 Cb 0.41 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3k77 h ARG 100 CO -0.27 1.08 -0.95 -1.13 -1.07 0.00 0.00 179.97 177.63 3k77 n SER 101 N -4.14 0.63 0.00 7.04 3.41 -0.47 -4.98 113.62 115.11 3k77 n SER 101 Ca 0.01 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3k77 n SER 101 Cb 0.43 0.69 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 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 1.37 0.42 3.76 5.00 0.00 0.55 -5.05 105.19 111.25 3k77 n GLY 102 Ca 0.02 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.95 7.29 -1.14 1.61 0.01 -0.50 -4.27 113.70 113.75 3k77 s SER 103 Ca 0.00 1.54 -0.15 0.00 1.31 0.00 0.00 55.95 58.64 3k77 s SER 103 Cb 0.00 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 3k77 s SER 103 CO 0.00 0.12 0.80 0.59 0.41 0.00 0.00 173.24 175.16 3k77 n ASN 104 N 2.16 -5.05 0.04 2.44 4.13 -1.26 -4.60 115.26 113.12 3k77 n ASN 104 Ca -0.04 -0.93 0.13 0.00 1.68 0.00 0.00 54.58 55.41 3k77 n ASN 104 Cb 0.49 -3.82 0.38 0.00 -1.54 0.00 0.00 39.78 35.30 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 -4.00 0.14 -0.24 3.52 -0.02 -1.26 -4.21 135.00 128.92 3k77 n PRO 105 Ca -0.11 0.08 0.08 0.00 -2.02 0.00 0.00 63.50 61.52 3k77 n PRO 105 Cb 0.61 -1.62 0.21 0.00 -0.02 0.00 0.00 33.50 32.68 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 -1.84 3.28 -4.64 2.55 5.03 -1.26 -1.60 115.26 116.77 3k77 n ASN 106 Ca 0.05 -2.00 -0.52 0.00 0.87 0.00 0.00 54.58 52.98 3k77 n ASN 106 Cb 0.39 -0.32 -0.06 0.00 -1.02 0.00 0.00 39.78 38.77 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 0.89 1.42 -4.45 3.52 0.63 -1.26 -4.22 116.66 113.19 3k77 n ARG 107 Ca 0.16 0.52 -0.34 0.00 -0.92 0.00 0.00 57.85 57.27 3k77 n ARG 107 Cb 0.49 -2.21 -0.12 0.00 0.45 0.00 0.00 32.46 31.07 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 1.71 3.88 -0.05 5.15 0.11 -1.26 -1.30 120.40 128.63 3k77 s VAL 108 Ca 0.88 -0.38 0.02 0.00 -2.93 0.00 0.00 61.98 59.57 3k77 s VAL 108 Cb -0.91 -2.67 0.01 0.00 -1.53 0.00 0.00 36.38 31.28 3k77 s VAL 108 CO 0.51 0.53 -0.10 -0.13 -3.33 0.00 0.00 175.10 172.57 3k77 s ARG 109 N 0.01 1.32 0.39 1.54 0.52 -0.13 -4.98 118.95 117.63 3k77 s ARG 109 Ca 0.00 -0.32 -0.11 0.00 -0.52 0.00 0.00 55.73 54.78 3k77 s ARG 109 Cb -0.13 -1.16 -0.07 0.00 0.52 0.00 0.00 34.95 34.11 3k77 s ARG 109 CO 0.03 0.03 0.76 -1.64 0.02 0.00 0.00 175.30 174.50 3k77 s MET 110 N 0.60 3.82 -0.28 3.54 -1.94 -1.26 -1.17 119.30 122.61 3k77 s MET 110 Ca -0.11 0.50 -0.03 0.00 -1.71 0.00 0.00 55.69 54.34 3k77 s MET 110 Cb -0.14 -2.40 0.11 0.00 2.01 0.00 0.00 34.83 34.41 3k77 s MET 110 CO 0.02 -0.00 0.18 -0.06 -0.01 0.00 0.00 175.02 175.14 3k77 s PHE 111 N -2.31 0.08 0.68 -0.03 0.40 0.82 -4.97 117.98 112.65 3k77 s PHE 111 Ca 0.52 -0.62 -0.12 0.00 -0.60 0.00 0.00 56.93 56.11 3k77 s PHE 111 Cb -0.10 -0.75 0.16 0.00 0.51 0.00 0.00 43.02 42.83 3k77 s PHE 111 CO 0.29 -0.83 0.92 0.41 0.70 0.00 0.00 175.22 176.71 3k77 n GLY 112 N 5.27 -1.41 0.33 4.36 0.00 -1.26 -1.33 105.19 111.16 3k77 n GLY 112 Ca -0.05 -1.70 0.16 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.46 132.00 130.39 3k77 h PRO 113 Ca -0.30 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 3k77 h PRO 113 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 3k77 h PRO 113 CO 0.21 0.00 -0.12 0.38 -0.21 0.00 0.00 178.00 178.27 3k77 h ASP 114 N 0.00 0.00 0.08 -2.05 -0.00 -1.91 -3.25 116.42 109.29 3k77 h ASP 114 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.16 3k77 h ASP 114 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.90 3k77 h ASP 114 CO -0.00 0.12 -0.66 0.29 -0.00 0.00 0.00 179.24 178.99 3k77 n LYS 115 N -3.13 0.55 -3.15 4.15 5.02 -0.56 -4.91 118.16 116.13 3k77 n LYS 115 Ca 0.03 -0.43 -0.26 0.00 -2.02 0.00 0.00 58.31 55.63 3k77 n LYS 115 Cb 0.57 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.08 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 -2.75 3.92 0.01 -0.35 1.43 -1.15 -4.71 118.68 115.08 3k77 s LEU 116 Ca 0.14 0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 53.62 3k77 s LEU 116 Cb 0.17 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 3k77 s LEU 116 CO 0.70 -0.35 1.17 0.68 0.23 0.00 0.00 176.35 178.78 3k77 s VAL 117 N -2.37 4.24 -0.47 -1.59 -7.23 0.37 -4.94 120.40 108.41 3k77 s VAL 117 Ca 0.43 1.59 0.23 0.00 -1.81 0.00 0.00 61.98 62.43 3k77 s VAL 117 Cb -0.10 -4.02 0.27 0.00 0.56 0.00 0.00 36.38 33.09 3k77 s VAL 117 CO 0.37 0.08 1.55 0.03 -0.31 0.00 0.00 175.10 176.81 3k77 h ARG 118 N 7.05 0.00 0.01 4.82 3.08 -1.89 0.22 114.38 127.67 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 0.83 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 179.72 3k77 h ALA 119 N 2.11 -0.02 -0.26 0.04 0.00 -1.95 -1.52 119.26 117.67 3k77 h ALA 119 Ca 0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 3k77 h ALA 119 Cb 0.95 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3k77 h ALA 119 CO 0.00 -0.42 -0.57 0.00 0.00 0.00 0.00 179.25 178.26 3k77 h ALA 120 N 0.80 0.42 0.00 0.00 0.00 -1.80 -3.18 119.26 115.49 3k77 h ALA 120 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3k77 h ALA 120 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3k77 h ALA 120 CO 0.00 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3k77 h ALA 121 N 0.65 1.00 0.02 0.00 0.00 -0.93 -2.71 119.26 117.29 3k77 h ALA 121 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3k77 h ALA 121 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3k77 h ALA 121 CO 0.13 0.00 -0.93 1.49 0.00 0.00 0.00 179.25 179.94 3k77 h GLU 122 N 0.00 0.15 -7.10 0.00 4.57 -1.25 -3.42 114.58 107.53 3k77 h GLU 122 Ca 0.00 -0.18 -0.46 0.00 -1.18 0.00 0.00 59.36 57.54 3k77 h GLU 122 Cb 0.27 0.06 0.08 0.00 -0.16 0.00 0.00 28.75 29.00 3k77 h GLU 122 CO 0.00 0.97 0.10 0.15 -1.18 0.00 0.00 179.01 179.05 3k77 s LYS 123 N -3.06 1.92 -0.01 1.92 1.02 -1.02 -5.04 119.74 115.46 3k77 s LYS 123 Ca -0.02 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.10 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 0.83 -1.28 0.02 1.03 -0.92 0.00 0.00 175.35 175.03 3k77 s ARG 124 N -5.10 2.86 0.15 1.68 0.52 -1.26 -4.43 118.95 113.37 3k77 s ARG 124 Ca 0.63 -0.57 -0.02 0.00 -0.52 0.00 0.00 55.73 55.26 3k77 s ARG 124 Cb -0.07 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 3k77 s ARG 124 CO 0.43 0.64 0.10 -1.58 0.02 0.00 0.00 175.30 174.91 3k77 s TRP 125 N -1.09 0.92 0.00 -0.53 0.52 0.04 -4.83 118.94 113.97 3k77 s TRP 125 Ca 0.19 -1.25 0.00 0.00 0.02 0.00 0.00 56.10 55.07 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 0.10 -0.57 0.29 -0.40 0.02 0.00 0.00 176.95 176.38 3k77 n ASP 126 N -0.16 0.35 -4.27 2.95 5.75 -1.13 0.29 116.55 120.33 3k77 n ASP 126 Ca -0.03 -1.08 -0.24 0.00 -0.01 0.00 0.00 54.79 53.42 3k77 n ASP 126 Cb 0.64 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.60 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 -0.08 1.21 -0.06 0.11 1.81 -0.67 -0.49 118.95 120.78 3k77 s ARG 127 Ca 0.00 -1.07 -0.03 0.00 -1.72 0.00 0.00 55.73 52.92 3k77 s ARG 127 Cb 0.00 -1.42 0.04 0.00 -0.45 0.00 0.00 34.95 33.12 3k77 s ARG 127 CO 0.00 0.34 0.09 0.08 -0.68 0.00 0.00 175.30 175.13 3k77 s VAL 128 N -1.02 -0.15 -0.22 3.52 1.01 -0.02 -1.98 120.40 121.53 3k77 s VAL 128 Ca 0.07 0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 3k77 s VAL 128 Cb -0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 3k77 s VAL 128 CO 0.03 0.14 0.07 -0.75 0.00 0.00 0.00 175.10 174.59 3k77 s LYS 129 N 2.20 3.78 -0.21 2.72 2.20 0.82 0.02 119.74 131.28 3k77 s LYS 129 Ca 0.04 -0.43 -0.03 0.00 -0.36 0.00 0.00 55.97 55.19 3k77 s LYS 129 Cb -0.12 -3.29 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 3k77 s LYS 129 CO -0.04 -0.02 -0.06 0.42 -0.36 0.00 0.00 175.35 175.30 3k77 s ILE 130 N 1.16 3.32 -0.19 5.43 1.01 -0.34 0.19 121.20 131.78 3k77 s ILE 130 Ca 0.05 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 3k77 s ILE 130 Cb -0.14 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 3k77 s ILE 130 CO 0.03 0.44 -0.06 -0.69 0.00 0.00 0.00 174.94 174.66 3k77 s VAL 131 N 1.33 3.42 -0.05 2.92 1.01 0.98 -2.23 120.40 127.78 3k77 s VAL 131 Ca 0.04 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3k77 s VAL 131 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3k77 s VAL 131 CO -0.03 0.46 -0.13 0.00 0.00 0.00 0.00 175.10 175.40 3k77 s SER 133 N -0.71 2.15 -0.42 0.00 0.01 -0.56 -0.81 113.70 113.36 3k77 s SER 133 Ca 0.11 -0.57 0.04 0.00 1.31 0.00 0.00 55.95 56.84 3k77 s SER 133 Cb -0.11 -0.13 0.17 0.00 0.21 0.00 0.00 66.02 66.16 3k77 s SER 133 CO 0.01 0.06 0.43 -1.58 0.41 0.00 0.00 173.24 172.56 3k77 s GLN 134 N -1.49 0.84 0.09 12.44 2.00 0.19 -0.57 119.66 133.16 3k77 s GLN 134 Ca 0.04 -1.45 0.26 0.00 -2.00 0.00 0.00 55.36 52.21 3k77 s GLN 134 Cb -0.09 -0.89 0.76 0.00 0.80 0.00 0.00 33.01 33.58 3k77 s GLN 134 CO 0.02 -1.31 1.64 -2.30 -0.50 0.00 0.00 175.29 172.85 3k77 n PRO 135 N 3.37 0.15 0.00 1.67 -0.02 -1.26 -4.09 135.00 134.82 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 0.48 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 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 -1.88 0.05 -3.67 6.00 4.01 -1.26 -4.88 117.16 115.53 3k77 n TYR 136 Ca 0.05 0.02 -0.09 0.00 -0.16 0.00 0.00 57.90 57.72 3k77 n TYR 136 Cb 0.39 -0.18 -0.09 0.00 -0.31 0.00 0.00 39.34 39.15 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 -3.26 -0.57 -0.05 7.72 0.15 -1.26 -4.35 113.70 112.07 3k77 s SER 137 Ca 0.07 1.08 0.14 0.00 0.70 0.00 0.00 55.95 57.94 3k77 s SER 137 Cb 0.16 1.14 0.44 0.00 -1.71 0.00 0.00 66.02 66.06 3k77 s SER 137 CO 0.81 -0.21 1.37 0.29 1.20 0.00 0.00 173.24 176.70 3k77 n LYS 138 N 4.65 3.00 0.15 5.44 5.02 -1.26 -4.63 118.16 130.52 3k77 n LYS 138 Ca -0.18 -2.39 0.02 0.00 -2.02 0.00 0.00 58.31 53.74 3k77 n LYS 138 Cb 0.54 -1.51 0.18 0.00 -0.02 0.00 0.00 35.03 34.22 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 2.49 0.00 -5.12 4.39 3.32 -1.95 -3.05 116.42 116.51 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 1.01 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.38 3k77 h ASP 139 CO 0.08 0.53 -0.64 -0.44 -1.72 0.00 0.00 179.24 177.04 3k77 s SER 140 N -6.54 0.33 0.59 6.45 0.01 -1.26 -4.91 113.70 108.38 3k77 s SER 140 Ca 0.01 -0.73 -0.19 0.00 1.31 0.00 0.00 55.95 56.35 3k77 s SER 140 Cb 0.10 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.48 3k77 s SER 140 CO 0.73 -0.49 1.21 -2.84 0.41 0.00 0.00 173.24 172.26 3k77 s PRO 141 N -2.86 2.95 0.17 12.44 0.02 -1.26 -4.06 135.00 142.40 3k77 s PRO 141 Ca -0.03 1.84 -0.04 0.00 0.02 0.00 0.00 61.00 62.79 3k77 s PRO 141 Cb 0.00 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.57 3k77 s PRO 141 CO -0.06 -1.22 0.18 -0.59 -0.33 0.00 0.00 177.00 174.97 3k77 s PHE 142 N -1.58 0.73 0.00 6.54 -0.12 -1.26 -4.89 117.98 117.40 3k77 s PHE 142 Ca 0.78 -1.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.59 3k77 s PHE 142 Cb -0.31 -0.31 0.00 0.00 -0.63 0.00 0.00 43.02 41.78 3k77 s PHE 142 CO 0.33 -0.65 0.00 0.41 -0.05 0.00 0.00 175.22 175.27 3k77 n GLY 143 N -0.19 -0.93 3.30 1.99 0.00 -0.26 -1.84 105.19 107.25 3k77 n GLY 143 Ca -0.04 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 2.38 -0.14 0.99 1.43 -0.39 -2.12 118.68 120.84 3k77 s LEU 144 Ca 0.00 -0.79 -0.17 0.00 -1.03 0.00 0.00 54.13 52.13 3k77 s LEU 144 Cb 0.00 -0.79 -0.24 0.00 0.03 0.00 0.00 46.19 45.19 3k77 s LEU 144 CO 0.00 -0.02 0.44 -1.28 0.23 0.00 0.00 176.35 175.71 3k77 h SER 145 N 3.58 0.23 -5.05 2.29 0.87 0.50 -0.95 113.55 115.03 3k77 h SER 145 Ca -0.43 -0.77 0.01 0.00 -1.23 0.00 0.00 61.79 59.37 3k77 h SER 145 Cb 1.20 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 63.05 3k77 h SER 145 CO 0.47 1.56 0.20 0.72 -0.53 0.00 0.00 176.83 179.25 3k77 s PHE 146 N -2.43 0.04 -0.18 2.24 -0.12 -1.10 -4.15 117.98 112.27 3k77 s PHE 146 Ca -0.23 -0.57 -0.13 0.00 -0.05 0.00 0.00 56.93 55.95 3k77 s PHE 146 Cb 0.05 0.68 0.06 0.00 -0.63 0.00 0.00 43.02 43.17 3k77 s PHE 146 CO 0.70 -1.35 0.46 0.54 -0.05 0.00 0.00 175.22 175.53 3k77 s VAL 147 N -3.24 -0.01 -0.10 -2.49 0.11 -1.26 -1.34 120.40 112.07 3k77 s VAL 147 Ca 0.15 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 3k77 s VAL 147 Cb -0.05 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 34.15 3k77 s VAL 147 CO 0.10 0.02 -0.12 -0.13 -3.33 0.00 0.00 175.10 171.64 3k77 s ARG 148 N 1.02 1.84 -0.03 1.54 0.52 -0.49 -4.59 118.95 118.76 3k77 s ARG 148 Ca -0.06 -0.41 -0.01 0.00 -0.52 0.00 0.00 55.73 54.72 3k77 s ARG 148 Cb -0.06 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.72 3k77 s ARG 148 CO -0.09 -0.11 0.06 -0.06 0.02 0.00 0.00 175.30 175.12 3k77 s PHE 149 N 1.15 3.26 -0.01 -0.53 0.08 -1.26 -0.48 117.98 120.19 3k77 s PHE 149 Ca -0.05 0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.25 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 -0.03 0.54 -0.12 -1.01 -0.10 0.00 0.00 175.22 174.51 3k77 s HIS 150 N -1.11 1.09 0.63 0.36 3.76 -0.85 -0.10 115.29 119.08 3k77 s HIS 150 Ca 0.20 -0.22 -0.07 0.00 -0.15 0.00 0.00 55.06 54.82 3k77 s HIS 150 Cb -0.12 -0.71 0.02 0.00 1.11 0.00 0.00 32.58 32.88 3k77 s HIS 150 CO 0.10 -0.04 0.95 -1.54 -0.85 0.00 0.00 174.74 173.36 3k77 s SER 151 N -0.18 5.38 0.52 1.40 1.04 0.79 0.11 113.70 122.76 3k77 s SER 151 Ca 0.03 0.69 -0.23 0.00 0.48 0.00 0.00 55.95 56.92 3k77 s SER 151 Cb -0.06 -1.57 -0.06 0.00 0.10 0.00 0.00 66.02 64.43 3k77 s SER 151 CO -0.00 -1.23 1.37 -2.84 0.98 0.00 0.00 173.24 171.52 3k77 s PRO 152 N -5.09 3.30 0.00 4.02 0.02 -1.25 -3.01 135.00 132.98 3k77 s PRO 152 Ca 0.56 2.27 0.30 0.00 0.02 0.00 0.00 61.00 64.15 3k77 s PRO 152 Cb -0.11 -2.36 1.78 0.00 0.02 0.00 0.00 34.50 33.83 3k77 s PRO 152 CO 0.46 -1.08 2.12 -2.30 -0.33 0.00 0.00 177.00 175.86