#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 4.17 0.20 -0.52 2.12 -1.26 -0.21 118.70 123.20 3k77 s GLU 3 Ca 0.00 2.47 -0.30 0.00 0.36 0.00 0.00 54.97 57.50 3k77 s GLU 3 Cb 0.00 -3.10 -0.08 0.00 0.26 0.00 0.00 34.13 31.21 3k77 s GLU 3 CO 0.00 -0.64 1.00 0.42 -0.54 0.00 0.00 175.26 175.50 3k77 s ILE 4 N 0.80 4.08 -0.01 -3.70 1.01 0.48 -4.82 121.20 119.03 3k77 s ILE 4 Ca 0.69 1.92 -0.18 0.00 0.00 0.00 0.00 60.65 63.08 3k77 s ILE 4 Cb -0.46 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 37.73 3k77 s ILE 4 CO 0.36 0.39 0.51 -0.13 0.00 0.00 0.00 174.94 176.07 3k77 s ARG 5 N -0.73 4.19 -0.19 2.79 0.52 -1.26 -4.67 118.95 119.59 3k77 s ARG 5 Ca 0.45 0.57 -0.06 0.00 -0.52 0.00 0.00 55.73 56.17 3k77 s ARG 5 Cb -0.27 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.86 3k77 s ARG 5 CO 0.33 0.47 0.02 -0.51 0.02 0.00 0.00 175.30 175.63 3k77 s LEU 6 N -0.44 3.46 -0.10 2.53 1.43 -1.26 -1.93 118.68 122.37 3k77 s LEU 6 Ca 0.27 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.27 3k77 s LEU 6 Cb -0.17 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 3k77 s LEU 6 CO 0.15 0.11 0.01 -0.09 0.23 0.00 0.00 176.35 176.75 3k77 h ARG 7 N 7.16 0.00 -3.44 1.70 2.43 -0.06 -3.45 114.38 118.72 3k77 h ARG 7 Ca -0.35 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.79 3k77 h ARG 7 Cb 1.18 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.66 3k77 h ARG 7 CO 0.64 0.02 0.01 -3.38 -1.51 0.00 0.00 179.97 175.74 3k77 s HIS 8 N -1.59 0.23 -0.26 2.20 -3.43 -1.16 -5.00 115.29 106.27 3k77 s HIS 8 Ca -0.01 -0.64 -0.20 0.00 -0.80 0.00 0.00 55.06 53.42 3k77 s HIS 8 Cb 0.00 0.38 -0.02 0.00 -1.43 0.00 0.00 32.58 31.51 3k77 s HIS 8 CO 0.02 -1.12 0.60 0.08 -2.00 0.00 0.00 174.74 172.31 3k77 s VAL 9 N -3.78 5.00 0.02 -5.38 1.01 -1.26 0.04 120.40 116.05 3k77 s VAL 9 Ca 0.19 1.02 -0.09 0.00 0.00 0.00 0.00 61.98 63.10 3k77 s VAL 9 Cb -0.03 -3.91 -0.31 0.00 0.00 0.00 0.00 36.38 32.13 3k77 s VAL 9 CO 0.09 0.02 0.94 0.58 0.00 0.00 0.00 175.10 176.74 3k77 h VAL 10 N 5.42 1.24 -2.98 2.92 2.07 -0.57 -3.48 116.25 120.88 3k77 h VAL 10 Ca -0.27 -2.78 -0.01 0.00 0.82 0.00 0.00 66.70 64.45 3k77 h VAL 10 Cb 1.13 2.90 -0.12 0.00 -1.52 0.00 0.00 31.29 33.68 3k77 h VAL 10 CO 0.76 0.84 0.22 -0.94 0.02 0.00 0.00 177.57 178.47 3k77 s SER 11 N -7.28 -0.55 -0.22 0.57 1.04 -1.19 -4.97 113.70 101.09 3k77 s SER 11 Ca -0.09 -0.02 -0.10 0.00 0.48 0.00 0.00 55.95 56.21 3k77 s SER 11 Cb 0.06 0.60 0.08 0.00 0.10 0.00 0.00 66.02 66.86 3k77 s SER 11 CO 0.89 -0.98 0.51 0.00 0.98 0.00 0.00 173.24 174.65 3k77 h SER 13 N 7.52 0.00 -3.09 0.00 4.64 -0.91 -3.46 113.55 118.25 3k77 h SER 13 Ca -0.27 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.12 3k77 h SER 13 Cb 1.16 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.99 3k77 h SER 13 CO 0.19 0.43 0.45 -0.55 -0.87 0.00 0.00 176.83 176.48 3k77 s SER 14 N -6.56 -0.45 0.06 4.97 0.15 -1.26 -4.91 113.70 105.70 3k77 s SER 14 Ca -0.00 0.85 -0.23 0.00 0.70 0.00 0.00 55.95 57.26 3k77 s SER 14 Cb 0.12 0.90 0.06 0.00 -1.71 0.00 0.00 66.02 65.38 3k77 s SER 14 CO 0.71 -0.14 0.54 0.00 1.20 0.00 0.00 173.24 175.55 3k77 s GLN 15 N 0.36 1.08 0.49 5.44 -2.07 -1.25 -4.49 119.66 119.21 3k77 s GLN 15 Ca 0.02 -0.24 -0.04 0.00 -1.82 0.00 0.00 55.36 53.27 3k77 s GLN 15 Cb -0.05 0.49 -0.02 0.00 -1.09 0.00 0.00 33.01 32.34 3k77 s GLN 15 CO -0.08 -0.40 0.77 0.34 -1.32 0.00 0.00 175.29 174.61 3k77 s ASP 16 N -2.06 6.09 0.22 12.60 -1.08 -0.02 -3.26 116.67 129.16 3k77 s ASP 16 Ca -0.04 0.77 0.04 0.00 -0.52 0.00 0.00 52.55 52.80 3k77 s ASP 16 Cb -0.01 -2.04 0.21 0.00 -1.46 0.00 0.00 42.92 39.62 3k77 s ASP 16 CO -0.03 -0.66 1.53 0.77 0.52 0.00 0.00 175.17 177.30 3k77 h SER 17 N 0.21 0.29 0.00 -0.34 4.64 -1.93 -3.13 113.55 113.28 3k77 h SER 17 Ca -0.47 -0.17 -0.32 0.00 -0.47 0.00 0.00 61.79 60.36 3k77 h SER 17 Cb 1.22 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 63.18 3k77 h SER 17 CO 0.61 0.85 -1.83 0.35 -0.87 0.00 0.00 176.83 175.93 3k77 n THR 18 N -3.85 1.52 -2.65 2.95 -2.24 -1.26 -4.62 114.28 104.14 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 0.64 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 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 -4.36 3.89 -3.20 4.78 8.25 -1.25 -4.89 115.22 118.44 3k77 n HIS 19 Ca -0.41 -3.06 -0.21 0.00 -0.26 0.00 0.00 57.72 53.78 3k77 n HIS 19 Cb 0.75 -2.03 0.01 0.00 1.12 0.00 0.00 29.99 29.83 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 0.63 1.94 -0.29 0.00 0.00 -1.86 -2.09 119.26 117.58 3k77 h ALA 21 Ca -0.45 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.53 3k77 h ALA 21 Cb 1.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3k77 h ALA 21 CO 0.54 -0.08 0.31 1.05 0.00 0.00 0.00 179.25 181.08 3k77 h GLU 22 N 0.50 0.00 0.00 0.00 4.11 -1.95 -0.82 114.58 116.43 3k77 h GLU 22 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.73 3k77 h GLU 22 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3k77 h GLU 22 CO -0.09 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.08 3k77 n ASN 23 N -3.78 0.63 0.01 3.06 3.02 -0.79 -2.67 115.26 114.75 3k77 n ASN 23 Ca 0.04 0.72 0.12 0.00 -0.03 0.00 0.00 54.58 55.43 3k77 n ASN 23 Cb 0.46 -0.83 0.19 0.00 -0.61 0.00 0.00 39.78 38.99 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 -2.27 0.57 0.14 3.41 4.77 -0.31 -4.21 117.00 119.11 3k77 n LEU 24 Ca 0.00 0.01 0.03 0.00 -0.03 0.00 0.00 56.01 56.03 3k77 n LEU 24 Cb 0.13 -0.21 0.43 0.00 -2.33 0.00 0.00 43.42 41.45 3k77 n LEU 24 CO 0.15 0.09 0.92 -0.07 -1.33 0.00 0.00 177.39 177.15 3k77 h LEU 25 N 0.00 0.18 -7.84 2.23 3.38 -1.68 -3.41 115.31 108.17 3k77 h LEU 25 Ca 0.00 -0.03 -0.46 0.00 0.09 0.00 0.00 57.88 57.48 3k77 h LEU 25 Cb 0.57 -0.05 -0.34 0.00 0.09 0.00 0.00 40.66 40.93 3k77 h LEU 25 CO 0.00 0.31 -0.79 -0.54 0.09 0.00 0.00 178.44 177.51 3k77 s LYS 26 N -4.78 1.22 0.52 1.13 1.02 -1.26 -4.21 119.74 113.38 3k77 s LYS 26 Ca -0.05 -0.24 0.31 0.00 0.02 0.00 0.00 55.97 56.01 3k77 s LYS 26 Cb 0.16 -1.10 1.23 0.00 -0.52 0.00 0.00 37.83 37.59 3k77 s LYS 26 CO 0.72 -0.05 1.94 0.00 -0.92 0.00 0.00 175.35 177.04 3k77 h ALA 27 N 7.14 1.01 -0.78 5.17 0.00 -1.81 -3.18 119.26 126.82 3k77 h ALA 27 Ca -0.34 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 54.74 3k77 h ALA 27 Cb 1.17 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3k77 h ALA 27 CO 0.47 0.07 0.56 0.38 0.00 0.00 0.00 179.25 180.72 3k77 h ASP 28 N 0.00 0.02 0.60 0.00 2.03 -1.95 -3.24 116.42 113.88 3k77 h ASP 28 Ca -0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 3k77 h ASP 28 Cb 0.58 -0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.06 3k77 h ASP 28 CO 0.01 0.01 -0.58 0.74 -1.03 0.00 0.00 179.24 178.39 3k77 h THR 29 N 0.02 1.40 -1.02 1.15 2.02 -1.89 -3.46 112.91 111.14 3k77 h THR 29 Ca 0.37 -1.99 -0.29 0.00 0.77 0.00 0.00 66.41 65.26 3k77 h THR 29 Cb 1.45 2.08 -0.09 0.00 -1.74 0.00 0.00 68.15 69.85 3k77 h THR 29 CO -0.01 0.57 -0.29 -1.22 0.37 0.00 0.00 175.52 174.93 3k77 n TYR 30 N -3.83 -0.17 -4.13 3.16 0.53 -1.22 -5.00 117.16 106.50 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 -2.69 -0.07 0.00 -1.03 0.00 0.00 39.34 36.13 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 -3.59 2.96 0.23 -0.72 0.52 -1.26 -5.12 118.95 111.97 3k77 s ARG 31 Ca 0.00 -0.56 0.07 0.00 -0.52 0.00 0.00 55.73 54.72 3k77 s ARG 31 Cb 0.00 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 3k77 s ARG 31 CO 0.00 0.62 0.15 0.15 0.02 0.00 0.00 175.30 176.24 3k77 s LYS 32 N -1.85 2.81 -0.18 3.54 1.02 -1.26 -4.65 119.74 119.16 3k77 s LYS 32 Ca 0.24 -1.07 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 3k77 s LYS 32 Cb -0.12 -2.51 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 3k77 s LYS 32 CO 0.15 0.41 -0.05 -0.46 -0.92 0.00 0.00 175.35 174.48 3k77 s TRP 33 N -2.07 2.95 0.11 3.18 -0.00 -0.34 -3.41 118.94 119.37 3k77 s TRP 33 Ca 0.32 -0.64 0.03 0.00 -0.00 0.00 0.00 56.10 55.81 3k77 s TRP 33 Cb -0.08 -2.01 -0.04 0.00 -0.00 0.00 0.00 33.47 31.34 3k77 s TRP 33 CO 0.24 -0.30 -0.08 1.03 -0.00 0.00 0.00 176.95 177.83 3k77 s ARG 34 N 0.89 0.90 0.52 5.86 0.52 -0.09 -1.41 118.95 126.14 3k77 s ARG 34 Ca -0.01 -1.32 -0.21 0.00 -0.52 0.00 0.00 55.73 53.67 3k77 s ARG 34 Cb -0.15 -0.39 -0.06 0.00 0.52 0.00 0.00 34.95 34.87 3k77 s ARG 34 CO 0.01 0.03 1.22 0.00 0.02 0.00 0.00 175.30 176.58 3k77 s ALA 35 N -3.24 2.81 0.44 2.13 0.00 -0.69 -0.84 121.76 122.36 3k77 s ALA 35 Ca 0.11 1.05 0.12 0.00 0.00 0.00 0.00 51.96 53.24 3k77 s ALA 35 Cb 0.02 -3.45 1.00 0.00 0.00 0.00 0.00 23.12 20.70 3k77 s ALA 35 CO -0.02 -0.98 2.04 0.00 0.00 0.00 0.00 175.76 176.80 3k77 h ALA 36 N 1.55 1.89 -2.65 0.00 0.00 -1.78 -3.37 119.26 114.91 3k77 h ALA 36 Ca -0.50 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 3k77 h ALA 36 Cb 1.27 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.78 3k77 h ALA 36 CO 0.58 0.04 -0.69 0.15 0.00 0.00 0.00 179.25 179.33 3k77 s LYS 37 N -5.38 0.45 0.51 0.00 -0.14 -1.26 -4.84 119.74 109.08 3k77 s LYS 37 Ca -0.07 -0.88 -0.20 0.00 -1.36 0.00 0.00 55.97 53.46 3k77 s LYS 37 Cb 0.18 0.16 -0.07 0.00 -1.68 0.00 0.00 37.83 36.42 3k77 s LYS 37 CO 0.73 -0.08 1.08 0.00 -0.76 0.00 0.00 175.35 176.32 3k77 s ALA 38 N -2.56 2.79 0.00 5.17 0.00 -1.26 -4.03 121.76 121.86 3k77 s ALA 38 Ca -0.06 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3k77 s ALA 38 Cb -0.02 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3k77 s ALA 38 CO -0.05 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.60 3k77 n GLY 39 N -0.05 0.75 3.64 0.00 0.00 -1.16 -4.91 105.19 103.46 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 -0.48 4.08 0.39 1.61 2.02 -1.26 -4.94 118.70 120.13 3k77 s GLU 40 Ca 0.00 1.09 0.08 0.00 0.02 0.00 0.00 54.97 56.16 3k77 s GLU 40 Cb 0.00 -3.73 0.80 0.00 0.10 0.00 0.00 34.13 31.30 3k77 s GLU 40 CO 0.00 -0.87 1.95 0.87 0.02 0.00 0.00 175.26 177.23 3k77 h LYS 41 N 8.04 0.34 -3.84 1.61 1.57 -1.95 -3.43 116.57 118.91 3k77 h LYS 41 Ca -0.20 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.40 3k77 h LYS 41 Cb 1.06 -0.06 -0.16 0.00 0.08 0.00 0.00 32.23 33.15 3k77 h LYS 41 CO 1.03 0.38 -0.49 0.95 -0.57 0.00 0.00 179.45 180.74 3k77 s THR 42 N -4.96 0.15 0.11 -0.16 -4.23 -1.26 -0.92 115.64 104.37 3k77 s THR 42 Ca -0.06 -1.20 -0.04 0.00 -1.18 0.00 0.00 61.69 59.20 3k77 s THR 42 Cb 0.16 -1.10 -0.02 0.00 1.34 0.00 0.00 72.50 72.87 3k77 s THR 42 CO 0.73 -0.66 0.12 0.27 -0.54 0.00 0.00 174.62 174.54 3k77 s ILE 43 N -3.12 0.13 -0.00 2.99 -4.36 -0.08 -4.99 121.20 111.76 3k77 s ILE 43 Ca -0.01 -1.62 -0.16 0.00 -0.26 0.00 0.00 60.65 58.60 3k77 s ILE 43 Cb 0.02 -1.75 0.03 0.00 1.25 0.00 0.00 42.46 42.01 3k77 s ILE 43 CO -0.07 -0.57 0.35 -0.55 0.24 0.00 0.00 174.94 174.34 3k77 s SER 44 N -2.97 -0.22 -0.07 4.36 0.15 -1.26 -1.19 113.70 112.50 3k77 s SER 44 Ca 0.15 0.08 -0.08 0.00 0.70 0.00 0.00 55.95 56.80 3k77 s SER 44 Cb 0.06 0.35 0.02 0.00 -1.71 0.00 0.00 66.02 64.74 3k77 s SER 44 CO -0.04 -0.51 0.22 0.68 1.20 0.00 0.00 173.24 174.79 3k77 s VAL 45 N -1.65 0.01 -0.19 4.45 -7.23 -0.86 -0.13 120.40 114.80 3k77 s VAL 45 Ca -0.11 -0.07 -0.04 0.00 -1.81 0.00 0.00 61.98 59.94 3k77 s VAL 45 Cb -0.04 -0.34 -0.02 0.00 0.56 0.00 0.00 36.38 36.55 3k77 s VAL 45 CO 0.03 -0.04 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.06 3k77 s VAL 46 N -0.06 3.70 -0.09 1.32 1.01 -0.14 -0.94 120.40 125.19 3k77 s VAL 46 Ca -0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 3k77 s VAL 46 Cb -0.02 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3k77 s VAL 46 CO 0.01 0.44 0.02 -0.76 0.00 0.00 0.00 175.10 174.80 3k77 s LEU 47 N 0.99 3.66 -0.23 3.92 1.43 0.15 0.21 118.68 128.80 3k77 s LEU 47 Ca 0.01 0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 53.13 3k77 s LEU 47 Cb -0.15 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 3k77 s LEU 47 CO 0.01 0.37 0.31 -1.58 0.23 0.00 0.00 176.35 175.69 3k77 s GLN 48 N -0.81 4.10 0.59 1.70 2.00 0.11 -1.07 119.66 126.27 3k77 s GLN 48 Ca 0.12 -0.01 -0.16 0.00 -2.00 0.00 0.00 55.36 53.32 3k77 s GLN 48 Cb -0.12 -3.57 -0.04 0.00 0.80 0.00 0.00 33.01 30.09 3k77 s GLN 48 CO 0.02 -0.07 1.06 -0.51 -0.50 0.00 0.00 175.29 175.30 3k77 s LEU 49 N 1.42 3.51 0.26 3.68 1.43 0.34 0.61 118.68 129.93 3k77 s LEU 49 Ca 0.14 1.83 -0.02 0.00 -1.03 0.00 0.00 54.13 55.05 3k77 s LEU 49 Cb -0.15 -4.54 0.33 0.00 0.03 0.00 0.00 46.19 41.87 3k77 s LEU 49 CO 0.07 -1.17 1.74 -0.33 0.23 0.00 0.00 176.35 176.90 3k77 h GLU 50 N 0.47 0.75 -4.38 1.70 5.08 -1.70 -3.41 114.58 113.09 3k77 h GLU 50 Ca -0.47 -0.22 -0.17 0.00 -1.00 0.00 0.00 59.36 57.50 3k77 h GLU 50 Cb 1.22 -0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.24 3k77 h GLU 50 CO 0.57 0.80 -0.66 -1.59 -1.00 0.00 0.00 179.01 177.13 3k77 s LYS 51 N -4.89 0.82 0.15 2.33 -2.85 -1.26 -5.01 119.74 109.03 3k77 s LYS 51 Ca -0.09 -1.37 -0.31 0.00 -1.00 0.00 0.00 55.97 53.21 3k77 s LYS 51 Cb 0.14 0.20 -0.08 0.00 -2.06 0.00 0.00 37.83 36.04 3k77 s LYS 51 CO 0.81 -0.20 1.33 -2.00 0.10 0.00 0.00 175.35 175.39 3k77 s GLU 52 N -4.00 4.36 0.06 1.78 2.12 -1.26 -4.68 118.70 117.08 3k77 s GLU 52 Ca 0.18 2.04 -0.12 0.00 0.36 0.00 0.00 54.97 57.43 3k77 s GLU 52 Cb 0.08 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 31.25 3k77 s GLU 52 CO -0.02 -0.33 0.26 -1.21 -0.54 0.00 0.00 175.26 173.42 3k77 s GLU 53 N 0.48 0.81 -0.09 4.30 2.02 0.16 -4.84 118.70 121.53 3k77 s GLU 53 Ca 0.60 -0.65 -0.20 0.00 0.02 0.00 0.00 54.97 54.74 3k77 s GLU 53 Cb -0.36 0.34 -0.04 0.00 0.10 0.00 0.00 34.13 34.17 3k77 s GLU 53 CO 0.34 -0.26 0.56 -1.14 0.02 0.00 0.00 175.26 174.78 3k77 s GLN 54 N -2.93 4.36 -0.20 1.61 0.74 -1.26 -0.92 119.66 121.06 3k77 s GLN 54 Ca -0.02 0.61 -0.17 0.00 0.05 0.00 0.00 55.36 55.83 3k77 s GLN 54 Cb 0.01 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 3k77 s GLN 54 CO -0.06 0.17 0.43 0.42 -0.55 0.00 0.00 175.29 175.70 3k77 s ILE 55 N 0.54 5.17 -0.22 -2.34 1.01 -1.26 -3.80 121.20 120.30 3k77 s ILE 55 Ca 0.30 0.77 -0.01 0.00 0.00 0.00 0.00 60.65 61.71 3k77 s ILE 55 Cb -0.16 -3.76 -0.20 0.00 0.01 0.00 0.00 42.46 38.35 3k77 s ILE 55 CO 0.14 0.23 -0.06 1.57 0.00 0.00 0.00 174.94 176.81 3k77 n HIS 56 N 4.56 0.36 -3.77 3.97 -0.00 0.13 -4.89 115.22 115.59 3k77 n HIS 56 Ca -0.07 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 -0.07 0.00 -0.00 0.00 0.00 29.99 29.38 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 -6.67 -0.08 -0.05 0.26 0.15 -1.15 -2.47 113.70 103.70 3k77 s SER 57 Ca -0.31 -0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.04 3k77 s SER 57 Cb 0.08 0.35 0.03 0.00 -1.71 0.00 0.00 66.02 64.78 3k77 s SER 57 CO 0.65 -0.64 0.04 -0.69 1.20 0.00 0.00 173.24 173.80 3k77 s VAL 58 N -2.79 0.03 -0.15 4.45 1.01 -0.35 -1.89 120.40 120.70 3k77 s VAL 58 Ca -0.03 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 3k77 s VAL 58 Cb -0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 3k77 s VAL 58 CO -0.05 0.19 0.07 -1.81 0.00 0.00 0.00 175.10 173.51 3k77 s ASP 59 N 2.03 5.74 -0.15 3.32 1.01 0.20 0.04 116.67 128.85 3k77 s ASP 59 Ca 0.04 0.18 0.01 0.00 0.71 0.00 0.00 52.55 53.48 3k77 s ASP 59 Cb -0.12 -1.90 0.02 0.00 1.01 0.00 0.00 42.92 41.92 3k77 s ASP 59 CO -0.03 0.26 -0.16 -0.63 0.21 0.00 0.00 175.17 174.81 3k77 s ILE 60 N -0.13 1.69 -0.40 0.77 -1.09 -0.14 -1.20 121.20 120.71 3k77 s ILE 60 Ca 0.07 -0.72 -0.15 0.00 -2.23 0.00 0.00 60.65 57.63 3k77 s ILE 60 Cb -0.12 -1.56 0.01 0.00 -1.58 0.00 0.00 42.46 39.21 3k77 s ILE 60 CO 0.01 0.48 0.29 -0.83 -1.23 0.00 0.00 174.94 173.66 3k77 s GLY 61 N 1.33 2.00 0.95 6.18 0.00 -0.51 -0.97 107.32 116.30 3k77 s GLY 61 Ca 0.03 -1.66 -0.13 0.00 0.00 0.00 0.00 44.72 42.96 3k77 s GLY 61 CO -0.09 0.89 1.14 0.21 0.00 0.00 0.00 173.10 175.25 3k77 s ASN 62 N 1.69 3.16 -0.40 1.64 2.47 -0.34 0.80 114.94 123.96 3k77 s ASN 62 Ca 0.05 0.93 0.06 0.00 0.42 0.00 0.00 52.86 54.32 3k77 s ASN 62 Cb -0.19 -1.46 0.31 0.00 -1.45 0.00 0.00 41.25 38.46 3k77 s ASN 62 CO 0.10 -2.77 1.23 -0.67 -3.72 0.00 0.00 177.10 171.27 3k77 n ASP 63 N -3.90 -1.88 0.00 -4.21 2.03 -0.59 -3.42 116.55 104.58 3k77 n ASP 63 Ca 0.07 -2.89 0.00 0.00 0.52 0.00 0.00 54.79 52.49 3k77 n ASP 63 Cb 0.59 1.55 0.00 0.00 -0.72 0.00 0.00 41.12 42.54 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 0.25 0.43 3.84 0.27 0.00 -0.53 -1.04 105.19 108.40 3k77 n GLY 64 Ca -0.01 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 -2.10 6.83 -0.16 1.61 0.01 -1.25 -4.74 113.70 113.90 3k77 s SER 65 Ca 0.00 1.50 0.05 0.00 1.31 0.00 0.00 55.95 58.81 3k77 s SER 65 Cb 0.00 -2.46 -0.23 0.00 0.21 0.00 0.00 66.02 63.54 3k77 s SER 65 CO 0.00 -0.32 0.20 0.00 0.41 0.00 0.00 173.24 173.53 3k77 n ALA 66 N -0.64 1.30 -2.73 1.44 0.00 0.42 -4.15 120.51 116.14 3k77 n ALA 66 Ca 0.05 -0.93 -0.17 0.00 0.00 0.00 0.00 53.44 52.39 3k77 n ALA 66 Cb 0.54 -0.45 -0.13 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.54 0.99 -0.03 0.00 0.08 -0.96 -1.04 117.98 114.48 3k77 s PHE 67 Ca -0.20 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.48 3k77 s PHE 67 Cb 0.07 -0.58 0.02 0.00 -0.57 0.00 0.00 43.02 41.96 3k77 s PHE 67 CO 0.75 0.00 -0.03 0.08 -0.10 0.00 0.00 175.22 175.92 3k77 s VAL 68 N -0.99 0.35 -0.00 -0.44 1.01 -0.34 -0.93 120.40 119.06 3k77 s VAL 68 Ca -0.02 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.96 3k77 s VAL 68 Cb -0.08 -0.38 -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 0.69 1.56 -0.13 2.72 2.12 0.11 -1.07 118.70 124.70 3k77 s GLU 69 Ca -0.08 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.51 3k77 s GLU 69 Cb -0.11 -1.54 0.02 0.00 0.26 0.00 0.00 34.13 32.76 3k77 s GLU 69 CO -0.01 0.42 -0.16 0.08 -0.54 0.00 0.00 175.26 175.05 3k77 s VAL 70 N -0.53 1.60 0.26 3.70 1.01 -0.74 -0.11 120.40 125.59 3k77 s VAL 70 Ca 0.08 -0.69 0.11 0.00 0.00 0.00 0.00 61.98 61.48 3k77 s VAL 70 Cb -0.08 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3k77 s VAL 70 CO -0.00 0.46 -0.14 -0.76 0.00 0.00 0.00 175.10 174.65 3k77 s LEU 71 N 1.13 2.76 0.04 3.92 1.02 0.10 -0.60 118.68 127.05 3k77 s LEU 71 Ca -0.03 -0.87 0.06 0.00 0.02 0.00 0.00 54.13 53.31 3k77 s LEU 71 Cb -0.14 -1.32 -0.02 0.00 0.02 0.00 0.00 46.19 44.73 3k77 s LEU 71 CO -0.05 0.05 -0.17 0.68 0.02 0.00 0.00 176.35 176.88 3k77 s VAL 72 N -2.28 1.39 0.24 -1.59 -7.23 0.18 -0.34 120.40 110.76 3k77 s VAL 72 Ca 0.29 -1.09 -0.05 0.00 -1.81 0.00 0.00 61.98 59.31 3k77 s VAL 72 Cb -0.06 -1.23 0.02 0.00 0.56 0.00 0.00 36.38 35.67 3k77 s VAL 72 CO 0.16 0.11 0.40 0.61 -0.31 0.00 0.00 175.10 176.07 3k77 n GLY 73 N 1.89 1.94 3.26 2.32 0.00 -0.77 -0.53 105.19 113.30 3k77 n GLY 73 Ca -0.17 -1.36 -0.25 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.36 2.47 0.23 1.61 0.15 -1.26 -1.47 113.70 113.07 3k77 s SER 74 Ca 0.15 -0.60 0.25 0.00 0.70 0.00 0.00 55.95 56.45 3k77 s SER 74 Cb -0.02 -0.17 0.60 0.00 -1.71 0.00 0.00 66.02 64.72 3k77 s SER 74 CO 0.11 0.11 1.62 0.77 1.20 0.00 0.00 173.24 177.04 3k77 h SER 75 N 4.50 0.00 -3.27 5.45 4.64 -1.88 -3.38 113.55 119.61 3k77 h SER 75 Ca -0.44 -0.05 -0.53 0.00 -0.47 0.00 0.00 61.79 60.30 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 0.02 0.56 0.00 -0.87 0.00 0.00 176.83 176.96 3k77 s ALA 76 N -3.14 3.41 -1.15 5.18 0.00 -1.26 -2.87 121.76 121.92 3k77 s ALA 76 Ca 0.09 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3k77 s ALA 76 Cb 0.11 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3k77 s ALA 76 CO 0.64 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.40 3k77 n GLY 77 N 2.94 -0.17 4.69 0.00 0.00 -1.26 -4.74 105.19 106.64 3k77 n GLY 77 Ca 0.08 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.02 -1.56 2.82 -0.02 0.00 -1.14 -4.87 105.19 99.41 3k77 n GLY 78 Ca -0.16 -1.18 -0.16 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.48 0.66 4.61 0.00 -1.26 -4.57 121.76 118.96 3k77 s ALA 79 Ca 0.00 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.47 3k77 s ALA 79 Cb 0.00 -1.35 0.11 0.00 0.00 0.00 0.00 23.12 21.88 3k77 s ALA 79 CO 0.00 -1.14 0.92 0.20 0.00 0.00 0.00 175.76 175.74 3k77 s GLY 80 N 2.38 1.76 0.08 0.00 0.00 -1.26 -4.95 107.32 105.33 3k77 s GLY 80 Ca 0.07 -1.86 -0.30 0.00 0.00 0.00 0.00 44.72 42.63 3k77 s GLY 80 CO -0.12 -1.34 1.66 0.83 0.00 0.00 0.00 173.10 174.13 3k77 h GLU 81 N -0.27 -0.59 -0.57 2.90 4.39 -2.01 -2.08 114.58 116.36 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 -0.40 0.00 1.04 -1.16 0.00 0.00 179.01 178.90 3k77 n GLN 82 N -5.36 0.78 -0.07 2.33 1.13 -1.26 -3.33 117.38 111.60 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 -1.28 -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 -0.05 0.68 -4.70 1.08 4.64 -0.78 -4.93 116.55 112.48 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 1.18 -0.03 0.00 -1.04 0.00 0.00 41.12 41.37 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 -2.66 3.61 0.30 -0.67 1.51 -1.21 -4.77 117.35 113.46 3k77 s TYR 84 Ca -0.08 1.65 -0.18 0.00 -1.01 0.00 0.00 57.07 57.45 3k77 s TYR 84 Cb 0.07 -3.13 -0.09 0.00 -0.11 0.00 0.00 41.96 38.70 3k77 s TYR 84 CO 0.74 -0.08 0.76 -2.00 -1.11 0.00 0.00 175.55 173.86 3k77 s GLU 85 N 1.33 4.13 -0.10 -0.62 2.56 0.31 -4.85 118.70 121.46 3k77 s GLU 85 Ca 0.50 0.80 -0.28 0.00 0.00 0.00 0.00 54.97 56.00 3k77 s GLU 85 Cb -0.20 -2.58 -0.02 0.00 2.00 0.00 0.00 34.13 33.34 3k77 s GLU 85 CO 0.24 0.23 0.91 0.08 -0.56 0.00 0.00 175.26 176.16 3k77 s VAL 86 N -1.83 4.86 -0.26 3.70 1.01 -1.26 0.48 120.40 127.09 3k77 s VAL 86 Ca 0.51 1.85 -0.15 0.00 0.00 0.00 0.00 61.98 64.19 3k77 s VAL 86 Cb -0.13 -4.23 -0.12 0.00 0.00 0.00 0.00 36.38 31.90 3k77 s VAL 86 CO 0.18 0.06 -0.29 -0.11 0.00 0.00 0.00 175.10 174.95 3k77 n LEU 87 N 4.76 1.95 -4.22 3.92 7.94 0.23 -4.63 117.00 126.95 3k77 n LEU 87 Ca 0.06 0.35 -0.36 0.00 -1.11 0.00 0.00 56.01 54.95 3k77 n LEU 87 Cb 0.49 -0.83 -0.13 0.00 0.53 0.00 0.00 43.42 43.48 3k77 n LEU 87 CO 0.50 0.47 -0.34 -0.22 -1.11 0.00 0.00 177.39 176.70 3k77 s LEU 88 N -7.59 3.82 0.73 -1.96 2.96 -0.19 -0.63 118.68 115.81 3k77 s LEU 88 Ca -0.37 -1.10 -0.16 0.00 -0.22 0.00 0.00 54.13 52.28 3k77 s LEU 88 Cb 0.13 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 45.11 3k77 s LEU 88 CO 0.49 -0.24 1.24 0.55 -1.32 0.00 0.00 176.35 177.08 3k77 n VAL 89 N 4.69 3.49 -1.65 1.68 3.14 -1.26 -1.79 118.33 126.63 3k77 n VAL 89 Ca -0.14 -0.35 -0.63 0.00 -2.96 0.00 0.00 64.34 60.25 3k77 n VAL 89 Cb 0.45 -1.34 -0.10 0.00 -1.06 0.00 0.00 33.84 31.79 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 -2.60 0.08 -5.06 1.55 -1.04 -1.26 -4.79 114.28 101.16 3k77 n THR 90 Ca 0.15 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.82 3k77 n THR 90 Cb 0.49 -0.73 -0.15 0.00 -1.82 0.00 0.00 70.33 68.13 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 3.81 3.36 0.19 8.00 0.01 -0.23 -4.93 113.70 123.91 3k77 s SER 91 Ca 1.06 -0.44 -0.24 0.00 1.31 0.00 0.00 55.95 57.64 3k77 s SER 91 Cb -1.37 -0.46 -0.08 0.00 0.21 0.00 0.00 66.02 64.32 3k77 s SER 91 CO 0.74 0.30 0.78 -0.55 0.41 0.00 0.00 173.24 174.92 3k77 s SER 92 N -0.88 7.32 0.00 2.44 0.15 -1.26 -1.20 113.70 120.27 3k77 s SER 92 Ca 0.11 1.61 0.00 0.00 0.70 0.00 0.00 55.95 58.38 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 0.01 0.16 0.00 0.49 1.20 0.00 0.00 173.24 175.10 3k77 n PHE 93 N 1.35 0.00 -3.64 3.44 3.72 -0.21 -4.97 117.46 117.16 3k77 n PHE 93 Ca -0.05 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 -0.59 0.77 0.70 -1.08 1.75 -1.18 -4.79 119.30 114.88 3k77 s MET 94 Ca 0.00 1.11 -0.08 0.00 -1.25 0.00 0.00 55.69 55.46 3k77 s MET 94 Cb 0.00 0.27 0.05 0.00 2.84 0.00 0.00 34.83 37.99 3k77 s MET 94 CO 0.00 -0.12 1.04 -1.54 -0.65 0.00 0.00 175.02 173.74 3k77 s SER 95 N 1.00 4.97 0.18 1.11 1.04 -1.26 -4.69 113.70 116.05 3k77 s SER 95 Ca -0.05 0.65 -0.13 0.00 0.48 0.00 0.00 55.95 56.90 3k77 s SER 95 Cb -0.05 -1.35 0.13 0.00 0.10 0.00 0.00 66.02 64.85 3k77 s SER 95 CO -0.09 -1.53 1.78 -0.65 0.98 0.00 0.00 173.24 173.73 3k77 h PRO 96 N -0.62 0.47 -0.18 4.02 0.11 -1.97 0.25 132.00 134.08 3k77 h PRO 96 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3k77 h PRO 96 Cb 1.30 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3k77 h PRO 96 CO 0.62 0.31 0.10 0.77 -0.21 0.00 0.00 178.00 179.58 3k77 h SER 97 N 0.48 0.22 -0.35 -2.05 0.02 -1.96 0.27 113.55 110.18 3k77 h SER 97 Ca 0.22 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3k77 h SER 97 Cb 0.13 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3k77 h SER 97 CO -0.16 0.24 0.18 -0.33 -1.14 0.00 0.00 176.83 175.63 3k77 h GLU 98 N 0.18 0.50 -0.93 3.45 5.08 -1.83 -1.07 114.58 119.95 3k77 h GLU 98 Ca 0.06 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3k77 h GLU 98 Cb 0.07 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 3k77 h GLU 98 CO -0.01 0.43 0.60 0.77 -1.00 0.00 0.00 179.01 179.80 3k77 h SER 99 N 0.44 0.97 -0.26 1.42 0.02 -0.03 1.47 113.55 117.58 3k77 h SER 99 Ca 0.12 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 3k77 h SER 99 Cb 0.09 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3k77 h SER 99 CO -0.02 0.64 -0.35 0.03 -1.14 0.00 0.00 176.83 175.99 3k77 h ARG 100 N 1.12 0.79 0.00 3.45 3.08 -0.14 -3.23 114.38 119.45 3k77 h ARG 100 Ca 0.39 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k77 h ARG 100 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3k77 h ARG 100 CO -0.15 1.02 -1.09 -1.13 -1.07 0.00 0.00 179.97 177.55 3k77 n SER 101 N -4.06 0.61 0.00 7.04 3.41 -0.44 -4.98 113.62 115.21 3k77 n SER 101 Ca -0.01 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 3k77 n SER 101 Cb 0.51 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.38 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 1.38 0.43 3.76 5.00 0.00 0.49 -5.04 105.19 111.22 3k77 n GLY 102 Ca 0.02 -1.00 -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 -2.92 7.35 -1.14 1.61 0.01 -0.55 -4.29 113.70 113.77 3k77 s SER 103 Ca 0.00 1.61 -0.15 0.00 1.31 0.00 0.00 55.95 58.72 3k77 s SER 103 Cb 0.00 -2.50 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 3k77 s SER 103 CO 0.00 0.13 0.81 0.59 0.41 0.00 0.00 173.24 175.18 3k77 n ASN 104 N 2.04 -5.07 0.03 2.44 4.13 -1.26 -4.61 115.26 112.95 3k77 n ASN 104 Ca -0.04 -0.92 0.13 0.00 1.68 0.00 0.00 54.58 55.42 3k77 n ASN 104 Cb 0.49 -3.88 0.37 0.00 -1.54 0.00 0.00 39.78 35.22 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 0.11 -0.23 3.52 -0.02 -1.26 -4.20 135.00 128.95 3k77 n PRO 105 Ca -0.11 0.06 0.08 0.00 -2.02 0.00 0.00 63.50 61.50 3k77 n PRO 105 Cb 0.61 -1.60 0.21 0.00 -0.02 0.00 0.00 33.50 32.70 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 -1.78 3.24 -4.66 2.55 5.03 -1.26 -1.45 115.26 116.93 3k77 n ASN 106 Ca 0.05 -1.99 -0.55 0.00 0.87 0.00 0.00 54.58 52.96 3k77 n ASN 106 Cb 0.38 -0.31 -0.07 0.00 -1.02 0.00 0.00 39.78 38.76 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 1.15 -4.28 3.52 0.63 -1.26 -4.18 116.66 113.13 3k77 n ARG 107 Ca 0.16 0.42 -0.34 0.00 -0.92 0.00 0.00 57.85 57.16 3k77 n ARG 107 Cb 0.49 -2.08 -0.11 0.00 0.45 0.00 0.00 32.46 31.21 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 2.16 4.25 -0.04 5.15 0.11 -1.26 -1.19 120.40 129.58 3k77 s VAL 108 Ca 0.92 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.76 3k77 s VAL 108 Cb -1.02 -2.86 0.00 0.00 -1.53 0.00 0.00 36.38 30.98 3k77 s VAL 108 CO 0.57 0.51 -0.11 -0.13 -3.33 0.00 0.00 175.10 172.62 3k77 s ARG 109 N 0.06 1.20 -0.10 1.54 0.52 -0.14 -4.98 118.95 117.05 3k77 s ARG 109 Ca 0.02 -0.36 -0.04 0.00 -0.52 0.00 0.00 55.73 54.82 3k77 s ARG 109 Cb -0.13 -1.08 -0.04 0.00 0.52 0.00 0.00 34.95 34.22 3k77 s ARG 109 CO 0.02 0.11 0.07 1.41 0.02 0.00 0.00 175.30 176.93 3k77 s MET 110 N 0.27 3.23 -0.28 3.54 1.75 -1.26 -0.97 119.30 125.58 3k77 s MET 110 Ca -0.05 -0.27 -0.00 0.00 -1.25 0.00 0.00 55.69 54.11 3k77 s MET 110 Cb -0.10 -2.99 0.09 0.00 2.84 0.00 0.00 34.83 34.66 3k77 s MET 110 CO 0.01 0.73 0.06 -0.06 -0.65 0.00 0.00 175.02 175.11 3k77 s PHE 111 N -0.92 2.00 0.57 4.11 0.40 0.11 -5.00 117.98 119.24 3k77 s PHE 111 Ca 0.14 -1.77 -0.09 0.00 -0.60 0.00 0.00 56.93 54.60 3k77 s PHE 111 Cb -0.12 -1.75 0.13 0.00 0.51 0.00 0.00 43.02 41.80 3k77 s PHE 111 CO 0.03 -0.83 0.78 0.41 0.70 0.00 0.00 175.22 176.31 3k77 n GLY 112 N 4.77 -1.23 0.31 4.36 0.00 -1.26 -1.21 105.19 110.92 3k77 n GLY 112 Ca -0.04 -1.71 0.14 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.38 132.00 130.46 3k77 h PRO 113 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 3k77 h PRO 113 Cb 0.70 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 3k77 h PRO 113 CO 0.18 0.00 -0.09 0.38 -0.21 0.00 0.00 178.00 178.26 3k77 h ASP 114 N 0.00 0.00 0.10 -2.05 -0.00 -1.91 -3.26 116.42 109.29 3k77 h ASP 114 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 3k77 h ASP 114 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.61 3k77 h ASP 114 CO -0.00 0.09 -0.71 0.29 -0.00 0.00 0.00 179.24 178.91 3k77 n LYS 115 N -3.12 0.40 -3.16 4.15 5.02 -0.53 -4.91 118.16 116.00 3k77 n LYS 115 Ca 0.04 -0.31 -0.27 0.00 -2.02 0.00 0.00 58.31 55.75 3k77 n LYS 115 Cb 0.56 -1.49 -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 -2.81 3.93 -0.02 -0.35 1.43 -1.15 -4.72 118.68 114.99 3k77 s LEU 116 Ca 0.13 0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 53.62 3k77 s LEU 116 Cb 0.17 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 3k77 s LEU 116 CO 0.73 -0.33 1.17 0.68 0.23 0.00 0.00 176.35 178.83 3k77 s VAL 117 N -2.34 4.28 -0.53 -1.59 -7.23 0.19 -4.94 120.40 108.25 3k77 s VAL 117 Ca 0.44 1.62 0.24 0.00 -1.81 0.00 0.00 61.98 62.47 3k77 s VAL 117 Cb -0.10 -4.04 0.26 0.00 0.56 0.00 0.00 36.38 33.06 3k77 s VAL 117 CO 0.36 0.05 1.58 0.03 -0.31 0.00 0.00 175.10 176.80 3k77 h ARG 118 N 7.18 0.00 0.01 4.82 3.08 -1.89 0.32 114.38 127.91 3k77 h ARG 118 Ca -0.37 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.68 3k77 h ARG 118 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3k77 h ARG 118 CO 0.85 0.00 -0.00 0.00 -1.07 0.00 0.00 179.97 179.74 3k77 h ALA 119 N 2.21 -0.01 -0.31 0.04 0.00 -1.95 -1.69 119.26 117.55 3k77 h ALA 119 Ca 0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 3k77 h ALA 119 Cb 0.90 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3k77 h ALA 119 CO 0.00 -0.37 -0.51 0.00 0.00 0.00 0.00 179.25 178.37 3k77 h ALA 120 N 0.71 0.51 0.00 0.00 0.00 -1.80 -3.13 119.26 115.54 3k77 h ALA 120 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3k77 h ALA 120 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3k77 h ALA 120 CO 0.00 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.93 3k77 n ALA 121 N -2.56 1.56 0.09 0.00 0.00 0.10 -2.43 120.51 117.25 3k77 n ALA 121 Ca -0.04 0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 3k77 n ALA 121 Cb 0.61 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 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 0.16 -7.08 0.00 4.57 -1.24 -3.42 114.58 107.57 3k77 h GLU 122 Ca 0.00 -0.20 -0.46 0.00 -1.18 0.00 0.00 59.36 57.52 3k77 h GLU 122 Cb 0.30 0.06 0.07 0.00 -0.16 0.00 0.00 28.75 29.03 3k77 h GLU 122 CO 0.00 0.98 0.09 0.15 -1.18 0.00 0.00 179.01 179.05 3k77 s LYS 123 N -3.08 1.95 -0.03 1.92 1.02 -1.02 -5.04 119.74 115.46 3k77 s LYS 123 Ca -0.02 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.07 3k77 s LYS 123 Cb 0.10 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 3k77 s LYS 123 CO 0.83 -1.24 0.04 1.03 -0.92 0.00 0.00 175.35 175.09 3k77 s ARG 124 N -5.07 3.00 0.17 1.68 0.52 -1.26 -4.43 118.95 113.56 3k77 s ARG 124 Ca 0.63 -0.47 -0.01 0.00 -0.52 0.00 0.00 55.73 55.36 3k77 s ARG 124 Cb -0.07 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 3k77 s ARG 124 CO 0.43 0.67 0.11 -1.58 0.02 0.00 0.00 175.30 174.94 3k77 s TRP 125 N -1.07 1.02 0.00 -0.53 0.52 -0.10 -4.83 118.94 113.95 3k77 s TRP 125 Ca 0.19 -1.30 0.00 0.00 0.02 0.00 0.00 56.10 55.00 3k77 s TRP 125 Cb -0.12 -0.51 0.00 0.00 -1.15 0.00 0.00 33.47 31.69 3k77 s TRP 125 CO 0.09 -0.60 0.28 -0.40 0.02 0.00 0.00 176.95 176.34 3k77 n ASP 126 N -0.20 0.25 -4.24 2.95 5.75 -1.14 0.36 116.55 120.27 3k77 n ASP 126 Ca -0.01 -1.07 -0.24 0.00 -0.01 0.00 0.00 54.79 53.46 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 -0.07 1.22 -0.06 0.11 1.81 -0.54 -0.50 118.95 120.92 3k77 s ARG 127 Ca 0.00 -0.98 -0.03 0.00 -1.72 0.00 0.00 55.73 53.00 3k77 s ARG 127 Cb 0.00 -1.36 0.04 0.00 -0.45 0.00 0.00 34.95 33.17 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 -0.94 -0.15 -0.21 3.52 1.01 -0.24 -1.84 120.40 121.55 3k77 s VAL 128 Ca 0.06 0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.35 3k77 s VAL 128 Cb -0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 3k77 s VAL 128 CO 0.02 0.15 0.06 -0.75 0.00 0.00 0.00 175.10 174.59 3k77 s LYS 129 N 2.21 3.83 -0.19 2.72 2.20 0.53 0.30 119.74 131.34 3k77 s LYS 129 Ca 0.04 -0.41 -0.02 0.00 -0.36 0.00 0.00 55.97 55.23 3k77 s LYS 129 Cb -0.12 -3.25 -0.00 0.00 -1.51 0.00 0.00 37.83 32.94 3k77 s LYS 129 CO -0.04 0.08 -0.09 0.42 -0.36 0.00 0.00 175.35 175.36 3k77 s ILE 130 N 0.89 3.06 -0.18 5.43 1.01 -0.12 0.02 121.20 131.32 3k77 s ILE 130 Ca 0.04 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 3k77 s ILE 130 Cb -0.14 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 3k77 s ILE 130 CO 0.03 0.47 -0.08 -0.69 0.00 0.00 0.00 174.94 174.66 3k77 s VAL 131 N 1.21 3.31 -0.05 2.92 1.01 0.85 -2.04 120.40 127.61 3k77 s VAL 131 Ca 0.02 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3k77 s VAL 131 Cb -0.14 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3k77 s VAL 131 CO -0.03 0.47 -0.17 0.00 0.00 0.00 0.00 175.10 175.37 3k77 s SER 133 N -0.57 2.13 -0.42 0.00 0.01 -0.10 -0.91 113.70 113.84 3k77 s SER 133 Ca 0.08 -0.55 0.04 0.00 1.31 0.00 0.00 55.95 56.83 3k77 s SER 133 Cb -0.11 -0.14 0.17 0.00 0.21 0.00 0.00 66.02 66.15 3k77 s SER 133 CO 0.01 0.06 0.42 -1.58 0.41 0.00 0.00 173.24 172.56 3k77 s GLN 134 N -1.42 0.83 0.07 12.44 2.00 -0.10 -0.44 119.66 133.05 3k77 s GLN 134 Ca 0.04 -1.46 0.26 0.00 -2.00 0.00 0.00 55.36 52.20 3k77 s GLN 134 Cb -0.09 -0.92 0.64 0.00 0.80 0.00 0.00 33.01 33.44 3k77 s GLN 134 CO 0.02 -1.31 1.54 -2.30 -0.50 0.00 0.00 175.29 172.74 3k77 n PRO 135 N 3.38 0.14 0.01 1.67 -0.02 -1.26 -4.10 135.00 134.82 3k77 n PRO 135 Ca 0.20 0.06 0.11 0.00 -2.02 0.00 0.00 63.50 61.86 3k77 n PRO 135 Cb 0.48 -1.61 0.07 0.00 -0.02 0.00 0.00 33.50 32.41 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 -1.83 0.09 -3.68 6.00 4.01 -1.26 -4.88 117.16 115.60 3k77 n TYR 136 Ca 0.05 0.03 -0.09 0.00 -0.16 0.00 0.00 57.90 57.72 3k77 n TYR 136 Cb 0.39 -0.24 -0.10 0.00 -0.31 0.00 0.00 39.34 39.07 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 -3.32 -0.56 -0.04 7.72 0.15 -1.26 -4.36 113.70 112.04 3k77 s SER 137 Ca 0.08 1.02 0.14 0.00 0.70 0.00 0.00 55.95 57.88 3k77 s SER 137 Cb 0.16 0.97 0.43 0.00 -1.71 0.00 0.00 66.02 65.87 3k77 s SER 137 CO 0.78 -0.21 1.36 0.29 1.20 0.00 0.00 173.24 176.66 3k77 n LYS 138 N 4.44 2.96 0.16 5.44 5.02 -1.26 -4.64 118.16 130.27 3k77 n LYS 138 Ca -0.21 -2.34 0.03 0.00 -2.02 0.00 0.00 58.31 53.77 3k77 n LYS 138 Cb 0.55 -1.46 0.19 0.00 -0.02 0.00 0.00 35.03 34.29 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 2.52 0.00 -5.09 4.39 3.32 -1.95 -3.06 116.42 116.56 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 0.95 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.32 3k77 h ASP 139 CO 0.06 0.48 -0.63 -0.44 -1.72 0.00 0.00 179.24 176.99 3k77 s SER 140 N -6.48 0.28 0.62 6.45 0.01 -1.26 -4.91 113.70 108.41 3k77 s SER 140 Ca 0.01 -0.64 -0.18 0.00 1.31 0.00 0.00 55.95 56.45 3k77 s SER 140 Cb 0.10 0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.48 3k77 s SER 140 CO 0.72 -0.45 1.22 -2.84 0.41 0.00 0.00 173.24 172.30 3k77 s PRO 141 N -2.52 2.81 0.15 12.44 0.02 -1.26 -4.09 135.00 142.55 3k77 s PRO 141 Ca -0.06 1.86 -0.06 0.00 0.02 0.00 0.00 61.00 62.76 3k77 s PRO 141 Cb -0.02 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 3k77 s PRO 141 CO -0.05 -1.34 0.19 -0.59 -0.33 0.00 0.00 177.00 174.89 3k77 s PHE 142 N -1.61 0.59 0.00 6.54 -0.12 -1.26 -4.90 117.98 117.23 3k77 s PHE 142 Ca 0.78 -0.96 0.00 0.00 -0.05 0.00 0.00 56.93 56.70 3k77 s PHE 142 Cb -0.31 -0.23 0.00 0.00 -0.63 0.00 0.00 43.02 41.85 3k77 s PHE 142 CO 0.36 -0.64 0.00 0.41 -0.05 0.00 0.00 175.22 175.29 3k77 n GLY 143 N -0.17 -0.97 3.33 1.99 0.00 -0.20 -1.71 105.19 107.46 3k77 n GLY 143 Ca -0.06 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 2.43 -0.15 0.99 1.43 -0.50 -2.32 118.68 120.56 3k77 s LEU 144 Ca 0.00 -0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 52.10 3k77 s LEU 144 Cb 0.00 -0.85 -0.24 0.00 0.03 0.00 0.00 46.19 45.13 3k77 s LEU 144 CO 0.00 -0.02 0.39 -1.28 0.23 0.00 0.00 176.35 175.67 3k77 h SER 145 N 3.32 0.25 -5.06 2.29 0.87 0.38 -0.89 113.55 114.71 3k77 h SER 145 Ca -0.43 -0.76 -0.01 0.00 -1.23 0.00 0.00 61.79 59.36 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 0.50 1.62 0.19 0.72 -0.53 0.00 0.00 176.83 179.33 3k77 s PHE 146 N -2.45 0.10 -0.19 2.24 -0.12 -1.12 -4.19 117.98 112.25 3k77 s PHE 146 Ca -0.24 -0.63 -0.12 0.00 -0.05 0.00 0.00 56.93 55.90 3k77 s PHE 146 Cb 0.05 0.66 0.06 0.00 -0.63 0.00 0.00 43.02 43.16 3k77 s PHE 146 CO 0.70 -1.36 0.46 0.54 -0.05 0.00 0.00 175.22 175.52 3k77 s VAL 147 N -3.13 -0.02 -0.12 -2.49 0.11 -1.26 -1.43 120.40 112.06 3k77 s VAL 147 Ca 0.16 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.28 3k77 s VAL 147 Cb -0.05 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 3k77 s VAL 147 CO 0.10 0.02 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.60 3k77 s ARG 148 N 1.19 2.35 0.01 1.54 0.52 -0.34 -4.60 118.95 119.63 3k77 s ARG 148 Ca -0.08 -0.61 -0.00 0.00 -0.52 0.00 0.00 55.73 54.53 3k77 s ARG 148 Cb -0.07 -1.99 -0.04 0.00 0.52 0.00 0.00 34.95 33.37 3k77 s ARG 148 CO -0.11 -0.07 0.09 -0.06 0.02 0.00 0.00 175.30 175.17 3k77 s PHE 149 N 1.01 3.30 0.01 -0.53 0.08 -1.26 -0.63 117.98 119.95 3k77 s PHE 149 Ca -0.05 0.20 0.03 0.00 0.12 0.00 0.00 56.93 57.23 3k77 s PHE 149 Cb -0.15 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.56 3k77 s PHE 149 CO -0.03 0.55 -0.10 -1.01 -0.10 0.00 0.00 175.22 174.54 3k77 s HIS 150 N -1.23 0.91 0.59 0.36 3.76 -0.79 -0.39 115.29 118.50 3k77 s HIS 150 Ca 0.24 -0.22 -0.04 0.00 -0.15 0.00 0.00 55.06 54.88 3k77 s HIS 150 Cb -0.12 -0.57 0.02 0.00 1.11 0.00 0.00 32.58 33.02 3k77 s HIS 150 CO 0.16 -0.01 0.88 -1.54 -0.85 0.00 0.00 174.74 173.38 3k77 s SER 151 N -0.50 5.41 0.50 1.40 1.04 0.71 0.23 113.70 122.49 3k77 s SER 151 Ca 0.02 0.52 -0.23 0.00 0.48 0.00 0.00 55.95 56.74 3k77 s SER 151 Cb -0.05 -1.45 -0.06 0.00 0.10 0.00 0.00 66.02 64.56 3k77 s SER 151 CO -0.00 -1.15 1.37 -2.84 0.98 0.00 0.00 173.24 171.60 3k77 s PRO 152 N -4.97 3.41 0.00 4.02 0.02 -1.25 -3.04 135.00 133.19 3k77 s PRO 152 Ca 0.55 2.27 0.29 0.00 0.02 0.00 0.00 61.00 64.13 3k77 s PRO 152 Cb -0.10 -2.43 1.74 0.00 0.02 0.00 0.00 34.50 33.73 3k77 s PRO 152 CO 0.43 -0.99 2.08 -2.30 -0.33 0.00 0.00 177.00 175.89