#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 0.21 -0.52 2.12 -1.26 -0.13 118.70 123.28 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 -3.14 -0.08 0.00 0.26 0.00 0.00 34.13 31.16 3k77 s GLU 3 CO 0.00 -0.68 1.03 0.42 -0.54 0.00 0.00 175.26 175.49 3k77 s ILE 4 N 1.24 3.95 -0.05 -3.70 1.01 0.31 -4.83 121.20 119.13 3k77 s ILE 4 Ca 0.72 1.80 -0.16 0.00 0.00 0.00 0.00 60.65 63.02 3k77 s ILE 4 Cb -0.46 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 37.81 3k77 s ILE 4 CO 0.32 0.36 0.42 -0.13 0.00 0.00 0.00 174.94 175.91 3k77 s ARG 5 N -0.76 4.09 -0.20 2.79 0.52 -1.26 -4.69 118.95 119.43 3k77 s ARG 5 Ca 0.45 0.39 -0.07 0.00 -0.52 0.00 0.00 55.73 55.99 3k77 s ARG 5 Cb -0.28 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.84 3k77 s ARG 5 CO 0.34 0.47 0.05 -0.51 0.02 0.00 0.00 175.30 175.67 3k77 s LEU 6 N -0.37 3.59 -0.10 2.53 1.43 -1.26 -1.96 118.68 122.54 3k77 s LEU 6 Ca 0.24 -0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 3k77 s LEU 6 Cb -0.16 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 3k77 s LEU 6 CO 0.11 0.11 0.10 -0.09 0.23 0.00 0.00 176.35 176.81 3k77 h ARG 7 N 7.18 -0.01 -3.28 1.70 2.43 0.10 -3.45 114.38 119.04 3k77 h ARG 7 Ca -0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 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 0.65 0.10 0.09 -3.38 -1.51 0.00 0.00 179.97 175.91 3k77 s HIS 8 N -1.66 0.08 -0.27 2.20 -3.43 -1.14 -5.00 115.29 106.06 3k77 s HIS 8 Ca -0.02 -0.52 -0.21 0.00 -0.80 0.00 0.00 55.06 53.51 3k77 s HIS 8 Cb -0.00 0.50 -0.01 0.00 -1.43 0.00 0.00 32.58 31.63 3k77 s HIS 8 CO 0.08 -1.17 0.67 0.08 -2.00 0.00 0.00 174.74 172.39 3k77 s VAL 9 N -3.80 4.93 0.06 -5.38 1.01 -1.26 -0.23 120.40 115.73 3k77 s VAL 9 Ca 0.16 1.10 -0.11 0.00 0.00 0.00 0.00 61.98 63.14 3k77 s VAL 9 Cb -0.04 -4.00 -0.29 0.00 0.00 0.00 0.00 36.38 32.05 3k77 s VAL 9 CO 0.09 -0.06 1.11 0.58 0.00 0.00 0.00 175.10 176.82 3k77 h VAL 10 N 5.47 1.35 -2.88 2.92 2.07 -0.48 -3.48 116.25 121.23 3k77 h VAL 10 Ca -0.26 -2.68 0.01 0.00 0.82 0.00 0.00 66.70 64.59 3k77 h VAL 10 Cb 1.12 2.82 -0.12 0.00 -1.52 0.00 0.00 31.29 33.58 3k77 h VAL 10 CO 0.80 0.80 0.26 -0.94 0.02 0.00 0.00 177.57 178.51 3k77 s SER 11 N -7.36 -0.50 -0.23 0.57 1.04 -1.19 -4.96 113.70 101.07 3k77 s SER 11 Ca -0.07 -0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.17 3k77 s SER 11 Cb 0.06 0.58 0.08 0.00 0.10 0.00 0.00 66.02 66.84 3k77 s SER 11 CO 0.92 -0.96 0.55 0.00 0.98 0.00 0.00 173.24 174.73 3k77 h SER 13 N 7.26 0.00 -2.62 0.00 4.64 -0.41 -3.46 113.55 118.97 3k77 h SER 13 Ca -0.30 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.14 3k77 h SER 13 Cb 1.19 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.99 3k77 h SER 13 CO 0.20 0.37 0.53 -0.55 -0.87 0.00 0.00 176.83 176.51 3k77 s SER 14 N -6.37 -0.36 0.05 4.97 0.15 -1.26 -4.90 113.70 105.98 3k77 s SER 14 Ca 0.02 0.63 -0.21 0.00 0.70 0.00 0.00 55.95 57.09 3k77 s SER 14 Cb 0.09 0.91 0.05 0.00 -1.71 0.00 0.00 66.02 65.36 3k77 s SER 14 CO 0.69 -0.10 0.49 0.00 1.20 0.00 0.00 173.24 175.52 3k77 s GLN 15 N 0.76 1.01 0.52 5.44 -2.07 -1.26 -4.46 119.66 119.60 3k77 s GLN 15 Ca -0.03 -0.30 -0.06 0.00 -1.82 0.00 0.00 55.36 53.16 3k77 s GLN 15 Cb -0.04 0.46 -0.03 0.00 -1.09 0.00 0.00 33.01 32.31 3k77 s GLN 15 CO -0.12 -0.37 0.84 0.34 -1.32 0.00 0.00 175.29 174.67 3k77 s ASP 16 N -2.04 6.13 0.23 12.60 -1.08 0.09 -3.43 116.67 129.17 3k77 s ASP 16 Ca -0.05 0.95 0.03 0.00 -0.52 0.00 0.00 52.55 52.96 3k77 s ASP 16 Cb -0.01 -2.18 0.23 0.00 -1.46 0.00 0.00 42.92 39.51 3k77 s ASP 16 CO -0.03 -0.71 1.55 0.77 0.52 0.00 0.00 175.17 177.28 3k77 h SER 17 N 0.08 0.35 0.00 -0.34 4.64 -1.93 -3.14 113.55 113.20 3k77 h SER 17 Ca -0.46 -0.20 -0.29 0.00 -0.47 0.00 0.00 61.79 60.37 3k77 h SER 17 Cb 1.21 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 3k77 h SER 17 CO 0.62 0.86 -1.71 0.35 -0.87 0.00 0.00 176.83 176.08 3k77 n THR 18 N -3.90 1.52 -2.69 2.95 -2.24 -1.26 -4.65 114.28 104.01 3k77 n THR 18 Ca -0.03 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 3k77 n THR 18 Cb 0.61 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 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 -4.38 4.08 -3.51 4.78 8.25 -1.25 -4.89 115.22 118.31 3k77 n HIS 19 Ca -0.38 -3.11 -0.20 0.00 -0.26 0.00 0.00 57.72 53.77 3k77 n HIS 19 Cb 0.72 -2.08 -0.01 0.00 1.12 0.00 0.00 29.99 29.75 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 0.90 1.95 -0.32 0.00 0.00 -1.86 -2.05 119.26 117.88 3k77 h ALA 21 Ca -0.47 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.53 3k77 h ALA 21 Cb 1.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3k77 h ALA 21 CO 0.54 -0.13 0.35 1.05 0.00 0.00 0.00 179.25 181.06 3k77 h GLU 22 N 0.54 0.00 0.00 0.00 4.11 -1.95 -0.89 114.58 116.40 3k77 h GLU 22 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.79 3k77 h GLU 22 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3k77 h GLU 22 CO -0.13 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.04 3k77 n ASN 23 N -3.75 0.50 0.02 3.06 3.02 -0.77 -2.53 115.26 114.81 3k77 n ASN 23 Ca 0.05 0.66 0.12 0.00 -0.03 0.00 0.00 54.58 55.38 3k77 n ASN 23 Cb 0.51 -0.75 0.18 0.00 -0.61 0.00 0.00 39.78 39.11 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 -2.09 0.59 0.15 3.41 4.77 -0.34 -4.20 117.00 119.29 3k77 n LEU 24 Ca 0.01 0.05 0.04 0.00 -0.03 0.00 0.00 56.01 56.08 3k77 n LEU 24 Cb 0.14 -0.20 0.45 0.00 -2.33 0.00 0.00 43.42 41.49 3k77 n LEU 24 CO 0.14 0.06 0.95 -0.07 -1.33 0.00 0.00 177.39 177.14 3k77 h LEU 25 N 0.00 0.18 -7.81 2.23 3.38 -1.67 -3.40 115.31 108.21 3k77 h LEU 25 Ca 0.00 -0.03 -0.44 0.00 0.09 0.00 0.00 57.88 57.50 3k77 h LEU 25 Cb 0.61 -0.05 -0.34 0.00 0.09 0.00 0.00 40.66 40.98 3k77 h LEU 25 CO 0.00 0.28 -0.78 -0.54 0.09 0.00 0.00 178.44 177.49 3k77 s LYS 26 N -4.84 1.09 0.51 1.13 1.02 -1.26 -4.22 119.74 113.16 3k77 s LYS 26 Ca -0.05 -0.20 0.30 0.00 0.02 0.00 0.00 55.97 56.04 3k77 s LYS 26 Cb 0.16 -1.00 1.26 0.00 -0.52 0.00 0.00 37.83 37.72 3k77 s LYS 26 CO 0.72 -0.05 1.95 0.00 -0.92 0.00 0.00 175.35 177.05 3k77 h ALA 27 N 7.11 1.04 -0.76 5.17 0.00 -1.80 -3.19 119.26 126.83 3k77 h ALA 27 Ca -0.36 -0.09 0.22 0.00 0.00 0.00 0.00 54.91 54.68 3k77 h ALA 27 Cb 1.16 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3k77 h ALA 27 CO 0.47 0.12 0.55 -0.44 0.00 0.00 0.00 179.25 179.96 3k77 h ASP 28 N 0.00 0.00 0.62 0.00 3.32 -1.95 -3.22 116.42 115.19 3k77 h ASP 28 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3k77 h ASP 28 Cb 0.56 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3k77 h ASP 28 CO 0.01 0.00 -0.58 0.74 -1.72 0.00 0.00 179.24 177.69 3k77 h THR 29 N 0.00 1.38 -1.18 0.35 2.02 -1.89 -3.46 112.91 110.13 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 1.46 2.09 -0.09 0.00 -1.74 0.00 0.00 68.15 69.88 3k77 h THR 29 CO -0.00 0.57 -0.31 -1.22 0.37 0.00 0.00 175.52 174.92 3k77 n TYR 30 N -3.80 -0.23 -4.18 3.16 0.53 -1.22 -5.00 117.16 106.41 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 -2.81 -0.08 0.00 -1.03 0.00 0.00 39.34 36.02 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 -3.76 2.85 0.25 -0.72 0.52 -1.26 -5.12 118.95 111.71 3k77 s ARG 31 Ca 0.00 -0.61 0.08 0.00 -0.52 0.00 0.00 55.73 54.67 3k77 s ARG 31 Cb 0.00 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 3k77 s ARG 31 CO 0.00 0.61 0.12 0.15 0.02 0.00 0.00 175.30 176.21 3k77 s LYS 32 N -1.81 2.70 -0.15 3.54 1.02 -1.26 -4.66 119.74 119.12 3k77 s LYS 32 Ca 0.22 -1.17 -0.02 0.00 0.02 0.00 0.00 55.97 55.03 3k77 s LYS 32 Cb -0.12 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.75 3k77 s LYS 32 CO 0.14 0.39 -0.10 -0.46 -0.92 0.00 0.00 175.35 174.40 3k77 s TRP 33 N -2.18 2.88 0.07 3.18 -0.00 -0.18 -3.36 118.94 119.36 3k77 s TRP 33 Ca 0.32 -0.67 0.01 0.00 -0.00 0.00 0.00 56.10 55.76 3k77 s TRP 33 Cb -0.07 -1.92 -0.04 0.00 -0.00 0.00 0.00 33.47 31.43 3k77 s TRP 33 CO 0.23 -0.26 -0.05 1.03 -0.00 0.00 0.00 176.95 177.89 3k77 s ARG 34 N 0.61 0.72 0.54 5.86 0.52 -0.26 -1.08 118.95 125.86 3k77 s ARG 34 Ca -0.06 -1.24 -0.20 0.00 -0.52 0.00 0.00 55.73 53.71 3k77 s ARG 34 Cb -0.15 -0.04 -0.05 0.00 0.52 0.00 0.00 34.95 35.23 3k77 s ARG 34 CO 0.03 -0.05 1.19 0.00 0.02 0.00 0.00 175.30 176.49 3k77 s ALA 35 N -3.57 2.73 0.47 2.13 0.00 -0.60 -0.73 121.76 122.19 3k77 s ALA 35 Ca 0.08 0.98 0.14 0.00 0.00 0.00 0.00 51.96 53.15 3k77 s ALA 35 Cb 0.05 -3.42 1.08 0.00 0.00 0.00 0.00 23.12 20.83 3k77 s ALA 35 CO -0.06 -0.94 2.06 0.00 0.00 0.00 0.00 175.76 176.81 3k77 h ALA 36 N 1.34 1.81 -2.62 0.00 0.00 -1.77 -3.36 119.26 114.66 3k77 h ALA 36 Ca -0.50 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.19 3k77 h ALA 36 Cb 1.28 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.85 3k77 h ALA 36 CO 0.57 0.14 -0.66 0.15 0.00 0.00 0.00 179.25 179.45 3k77 s LYS 37 N -4.95 0.48 0.50 0.00 -0.14 -1.26 -4.84 119.74 109.52 3k77 s LYS 37 Ca -0.05 -0.88 -0.21 0.00 -1.36 0.00 0.00 55.97 53.47 3k77 s LYS 37 Cb 0.16 0.17 -0.07 0.00 -1.68 0.00 0.00 37.83 36.41 3k77 s LYS 37 CO 0.69 -0.09 1.10 0.00 -0.76 0.00 0.00 175.35 176.30 3k77 s ALA 38 N -2.65 2.84 0.00 5.17 0.00 -1.26 -4.06 121.76 121.80 3k77 s ALA 38 Ca -0.05 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3k77 s ALA 38 Cb -0.01 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3k77 s ALA 38 CO -0.05 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.56 3k77 n GLY 39 N 0.11 0.75 3.64 0.00 0.00 -1.16 -4.91 105.19 103.61 3k77 n GLY 39 Ca 0.09 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 -0.44 4.06 0.42 1.61 2.02 -1.26 -4.93 118.70 120.17 3k77 s GLU 40 Ca 0.00 1.01 0.10 0.00 0.02 0.00 0.00 54.97 56.10 3k77 s GLU 40 Cb 0.00 -3.73 0.89 0.00 0.10 0.00 0.00 34.13 31.38 3k77 s GLU 40 CO 0.00 -0.87 2.00 0.87 0.02 0.00 0.00 175.26 177.28 3k77 h LYS 41 N 8.08 0.29 -3.54 1.61 1.57 -1.95 -3.43 116.57 119.20 3k77 h LYS 41 Ca -0.21 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 3k77 h LYS 41 Cb 1.06 -0.05 -0.17 0.00 0.08 0.00 0.00 32.23 33.15 3k77 h LYS 41 CO 1.01 0.31 -0.37 0.95 -0.57 0.00 0.00 179.45 180.78 3k77 s THR 42 N -5.01 0.11 0.10 -0.16 -4.23 -1.26 -1.04 115.64 104.14 3k77 s THR 42 Ca -0.06 -0.88 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 3k77 s THR 42 Cb 0.16 -0.94 -0.03 0.00 1.34 0.00 0.00 72.50 73.03 3k77 s THR 42 CO 0.72 -0.48 0.08 0.27 -0.54 0.00 0.00 174.62 174.66 3k77 s ILE 43 N -2.65 0.14 -0.05 2.99 -4.36 -0.21 -5.00 121.20 112.06 3k77 s ILE 43 Ca -0.04 -1.70 -0.16 0.00 -0.26 0.00 0.00 60.65 58.49 3k77 s ILE 43 Cb -0.01 -1.73 0.03 0.00 1.25 0.00 0.00 42.46 42.00 3k77 s ILE 43 CO -0.04 -0.66 0.36 -0.55 0.24 0.00 0.00 174.94 174.29 3k77 s SER 44 N -2.97 -0.28 -0.03 4.36 0.15 -1.26 -1.14 113.70 112.54 3k77 s SER 44 Ca 0.14 0.31 -0.03 0.00 0.70 0.00 0.00 55.95 57.08 3k77 s SER 44 Cb 0.07 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.83 3k77 s SER 44 CO -0.04 -0.38 0.08 0.68 1.20 0.00 0.00 173.24 174.77 3k77 s VAL 45 N -0.94 0.01 -0.20 4.45 -7.23 -0.90 0.43 120.40 116.02 3k77 s VAL 45 Ca -0.10 -0.07 -0.05 0.00 -1.81 0.00 0.00 61.98 59.95 3k77 s VAL 45 Cb -0.04 -0.14 -0.02 0.00 0.56 0.00 0.00 36.38 36.74 3k77 s VAL 45 CO 0.04 -0.04 0.00 -0.69 -0.31 0.00 0.00 175.10 174.10 3k77 s VAL 46 N -0.08 3.96 -0.11 1.32 1.01 -0.21 -1.05 120.40 125.25 3k77 s VAL 46 Ca -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 3k77 s VAL 46 Cb -0.01 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 3k77 s VAL 46 CO 0.00 0.43 -0.01 -0.76 0.00 0.00 0.00 175.10 174.76 3k77 s LEU 47 N 1.00 3.47 -0.23 3.92 1.43 0.11 0.31 118.68 128.69 3k77 s LEU 47 Ca 0.02 0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.02 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 0.02 0.32 0.41 -1.58 0.23 0.00 0.00 176.35 175.75 3k77 s GLN 48 N -0.51 4.11 0.56 1.70 2.00 0.67 -0.84 119.66 127.35 3k77 s GLN 48 Ca 0.09 0.18 -0.17 0.00 -2.00 0.00 0.00 55.36 53.45 3k77 s GLN 48 Cb -0.12 -3.59 -0.05 0.00 0.80 0.00 0.00 33.01 30.05 3k77 s GLN 48 CO 0.02 -0.15 1.06 -0.51 -0.50 0.00 0.00 175.29 175.21 3k77 s LEU 49 N 1.68 3.62 0.25 3.68 1.43 0.51 0.75 118.68 130.61 3k77 s LEU 49 Ca 0.18 1.88 -0.02 0.00 -1.03 0.00 0.00 54.13 55.14 3k77 s LEU 49 Cb -0.15 -4.55 0.31 0.00 0.03 0.00 0.00 46.19 41.83 3k77 s LEU 49 CO 0.09 -1.06 1.74 -0.33 0.23 0.00 0.00 176.35 177.02 3k77 h GLU 50 N 0.84 0.80 -4.53 1.70 5.08 -1.71 -3.41 114.58 113.35 3k77 h GLU 50 Ca -0.48 -0.23 -0.21 0.00 -1.00 0.00 0.00 59.36 57.45 3k77 h GLU 50 Cb 1.22 -0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.24 3k77 h GLU 50 CO 0.58 0.82 -0.67 -1.59 -1.00 0.00 0.00 179.01 177.15 3k77 s LYS 51 N -4.95 0.90 0.15 2.33 -2.85 -1.26 -5.01 119.74 109.05 3k77 s LYS 51 Ca -0.09 -1.40 -0.31 0.00 -1.00 0.00 0.00 55.97 53.17 3k77 s LYS 51 Cb 0.14 0.02 -0.08 0.00 -2.06 0.00 0.00 37.83 35.85 3k77 s LYS 51 CO 0.81 -0.15 1.32 -2.00 0.10 0.00 0.00 175.35 175.44 3k77 s GLU 52 N -3.95 4.37 0.10 1.78 2.12 -1.26 -4.67 118.70 117.20 3k77 s GLU 52 Ca 0.18 2.03 -0.10 0.00 0.36 0.00 0.00 54.97 57.44 3k77 s GLU 52 Cb 0.07 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 31.23 3k77 s GLU 52 CO -0.01 -0.32 0.24 -1.21 -0.54 0.00 0.00 175.26 173.42 3k77 s GLU 53 N 0.46 0.91 -0.09 4.30 2.02 0.17 -4.84 118.70 121.62 3k77 s GLU 53 Ca 0.60 -0.92 -0.18 0.00 0.02 0.00 0.00 54.97 54.49 3k77 s GLU 53 Cb -0.36 0.37 -0.04 0.00 0.10 0.00 0.00 34.13 34.20 3k77 s GLU 53 CO 0.34 -0.31 0.49 -1.14 0.02 0.00 0.00 175.26 174.67 3k77 s GLN 54 N -3.85 4.30 -0.21 1.61 0.74 -1.26 -0.40 119.66 120.59 3k77 s GLN 54 Ca 0.05 0.50 -0.16 0.00 0.05 0.00 0.00 55.36 55.80 3k77 s GLN 54 Cb 0.04 -3.40 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 3k77 s GLN 54 CO -0.11 0.23 0.39 0.42 -0.55 0.00 0.00 175.29 175.67 3k77 s ILE 55 N 0.37 5.20 -0.22 -2.34 1.01 -1.26 -3.85 121.20 120.11 3k77 s ILE 55 Ca 0.27 0.68 -0.02 0.00 0.00 0.00 0.00 60.65 61.58 3k77 s ILE 55 Cb -0.16 -3.72 -0.20 0.00 0.01 0.00 0.00 42.46 38.40 3k77 s ILE 55 CO 0.12 0.25 -0.05 1.57 0.00 0.00 0.00 174.94 176.83 3k77 n HIS 56 N 4.54 0.40 -3.81 3.97 -0.00 0.18 -4.88 115.22 115.62 3k77 n HIS 56 Ca -0.08 0.09 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 3k77 n HIS 56 Cb 0.51 -1.05 -0.07 0.00 -0.00 0.00 0.00 29.99 29.37 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 -6.73 -0.01 -0.07 0.26 0.15 -1.12 -2.37 113.70 103.81 3k77 s SER 57 Ca -0.31 -0.38 -0.03 0.00 0.70 0.00 0.00 55.95 55.93 3k77 s SER 57 Cb 0.08 0.34 0.04 0.00 -1.71 0.00 0.00 66.02 64.77 3k77 s SER 57 CO 0.65 -0.64 0.09 -0.69 1.20 0.00 0.00 173.24 173.85 3k77 s VAL 58 N -2.96 -0.15 -0.14 4.45 1.01 -0.06 -2.00 120.40 120.55 3k77 s VAL 58 Ca -0.02 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 3k77 s VAL 58 Cb 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 3k77 s VAL 58 CO -0.06 0.11 0.11 -1.81 0.00 0.00 0.00 175.10 173.46 3k77 s ASP 59 N 2.20 6.14 -0.11 3.32 1.01 0.24 -0.17 116.67 129.30 3k77 s ASP 59 Ca 0.04 0.34 0.01 0.00 0.71 0.00 0.00 52.55 53.66 3k77 s ASP 59 Cb -0.13 -1.99 0.02 0.00 1.01 0.00 0.00 42.92 41.83 3k77 s ASP 59 CO -0.05 0.34 -0.14 -0.63 0.21 0.00 0.00 175.17 174.90 3k77 s ILE 60 N -0.59 1.43 -0.41 0.77 -1.09 -0.23 -1.43 121.20 119.65 3k77 s ILE 60 Ca 0.12 -0.58 -0.13 0.00 -2.23 0.00 0.00 60.65 57.83 3k77 s ILE 60 Cb -0.12 -1.33 0.04 0.00 -1.58 0.00 0.00 42.46 39.48 3k77 s ILE 60 CO 0.02 0.43 0.28 -0.83 -1.23 0.00 0.00 174.94 173.61 3k77 s GLY 61 N 1.16 1.98 1.01 6.18 0.00 -0.61 -0.65 107.32 116.38 3k77 s GLY 61 Ca -0.03 -1.88 -0.12 0.00 0.00 0.00 0.00 44.72 42.69 3k77 s GLY 61 CO -0.04 0.93 1.08 0.21 0.00 0.00 0.00 173.10 175.28 3k77 s ASN 62 N 1.89 2.48 -0.42 1.64 2.47 -0.27 0.11 114.94 122.84 3k77 s ASN 62 Ca 0.03 1.39 0.06 0.00 0.42 0.00 0.00 52.86 54.76 3k77 s ASN 62 Cb -0.21 -2.07 0.32 0.00 -1.45 0.00 0.00 41.25 37.84 3k77 s ASN 62 CO 0.07 -3.25 1.20 -0.67 -3.72 0.00 0.00 177.10 170.73 3k77 n ASP 63 N -4.27 -2.05 0.00 -4.21 2.03 -0.81 -3.45 116.55 103.79 3k77 n ASP 63 Ca 0.05 -3.12 0.00 0.00 0.52 0.00 0.00 54.79 52.24 3k77 n ASP 63 Cb 0.56 1.61 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 0.15 0.55 3.84 0.27 0.00 -0.64 -1.06 105.19 108.31 3k77 n GLY 64 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.06 6.79 -0.14 1.61 0.01 -1.26 -4.74 113.70 113.93 3k77 s SER 65 Ca 0.00 1.46 0.06 0.00 1.31 0.00 0.00 55.95 58.77 3k77 s SER 65 Cb 0.00 -2.45 -0.23 0.00 0.21 0.00 0.00 66.02 63.55 3k77 s SER 65 CO 0.00 -0.33 0.30 0.00 0.41 0.00 0.00 173.24 173.62 3k77 n ALA 66 N -0.72 1.29 -2.75 1.44 0.00 0.68 -4.16 120.51 116.28 3k77 n ALA 66 Ca 0.05 -0.88 -0.17 0.00 0.00 0.00 0.00 53.44 52.45 3k77 n ALA 66 Cb 0.54 -0.54 -0.12 0.00 0.00 0.00 0.00 19.45 19.32 3k77 n ALA 66 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3k77 s PHE 67 N -2.55 0.94 -0.02 0.00 0.08 -1.00 -1.04 117.98 114.38 3k77 s PHE 67 Ca -0.17 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.49 3k77 s PHE 67 Cb 0.07 -0.55 0.01 0.00 -0.57 0.00 0.00 43.02 41.99 3k77 s PHE 67 CO 0.77 -0.01 -0.03 0.08 -0.10 0.00 0.00 175.22 175.93 3k77 s VAL 68 N -1.08 0.32 0.02 -0.44 1.01 -0.36 -1.21 120.40 118.66 3k77 s VAL 68 Ca -0.04 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 61.93 3k77 s VAL 68 Cb -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 3k77 s VAL 68 CO 0.01 0.14 -0.19 -0.70 0.00 0.00 0.00 175.10 174.36 3k77 s GLU 69 N 0.47 1.38 -0.11 2.72 2.12 0.62 -0.75 118.70 125.15 3k77 s GLU 69 Ca -0.05 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.52 3k77 s GLU 69 Cb -0.08 -1.41 0.01 0.00 0.26 0.00 0.00 34.13 32.91 3k77 s GLU 69 CO -0.01 0.37 -0.18 0.08 -0.54 0.00 0.00 175.26 174.99 3k77 s VAL 70 N -0.63 1.66 0.24 3.70 1.01 -0.84 -0.41 120.40 125.12 3k77 s VAL 70 Ca 0.07 -0.75 0.12 0.00 0.00 0.00 0.00 61.98 61.41 3k77 s VAL 70 Cb -0.08 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 3k77 s VAL 70 CO 0.01 0.47 -0.22 -0.76 0.00 0.00 0.00 175.10 174.60 3k77 s LEU 71 N 0.84 2.52 0.04 3.92 1.02 0.95 -1.12 118.68 126.85 3k77 s LEU 71 Ca -0.09 -0.95 0.07 0.00 0.02 0.00 0.00 54.13 53.18 3k77 s LEU 71 Cb -0.15 -1.11 -0.03 0.00 0.02 0.00 0.00 46.19 44.92 3k77 s LEU 71 CO 0.00 0.07 -0.20 0.68 0.02 0.00 0.00 176.35 176.92 3k77 s VAL 72 N -2.14 1.62 0.19 -1.59 -7.23 0.15 -0.09 120.40 111.31 3k77 s VAL 72 Ca 0.25 -1.19 -0.03 0.00 -1.81 0.00 0.00 61.98 59.20 3k77 s VAL 72 Cb -0.06 -1.41 0.01 0.00 0.56 0.00 0.00 36.38 35.48 3k77 s VAL 72 CO 0.12 0.18 0.31 0.61 -0.31 0.00 0.00 175.10 176.01 3k77 n GLY 73 N 1.83 2.20 3.26 2.32 0.00 -0.79 -0.48 105.19 113.52 3k77 n GLY 73 Ca -0.17 -1.37 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.11 2.44 0.31 1.61 0.15 -1.26 -1.77 113.70 113.07 3k77 s SER 74 Ca 0.13 -0.58 0.25 0.00 0.70 0.00 0.00 55.95 56.45 3k77 s SER 74 Cb -0.01 -0.17 0.59 0.00 -1.71 0.00 0.00 66.02 64.72 3k77 s SER 74 CO 0.09 0.11 1.69 0.77 1.20 0.00 0.00 173.24 177.11 3k77 h SER 75 N 4.58 0.00 -3.22 5.45 4.64 -1.88 -3.38 113.55 119.74 3k77 h SER 75 Ca -0.44 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.35 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 0.00 0.58 0.00 -0.87 0.00 0.00 176.83 176.96 3k77 s ALA 76 N -3.15 3.42 -1.22 5.18 0.00 -1.26 -2.75 121.76 121.98 3k77 s ALA 76 Ca 0.09 0.90 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 3k77 s ALA 76 Cb 0.09 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3k77 s ALA 76 CO 0.63 -0.44 0.03 0.41 0.00 0.00 0.00 175.76 176.39 3k77 n GLY 77 N 3.06 -0.22 5.16 0.00 0.00 -1.26 -4.74 105.19 107.19 3k77 n GLY 77 Ca 0.08 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.03 -1.52 2.81 -0.02 0.00 -1.11 -4.87 105.19 99.45 3k77 n GLY 78 Ca -0.16 -1.17 -0.15 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 -1.73 -0.57 0.69 4.61 0.00 -1.26 -4.56 121.76 118.95 3k77 s ALA 79 Ca 0.00 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.48 3k77 s ALA 79 Cb 0.00 -1.44 0.12 0.00 0.00 0.00 0.00 23.12 21.80 3k77 s ALA 79 CO 0.00 -1.22 0.96 0.20 0.00 0.00 0.00 175.76 175.70 3k77 s GLY 80 N 2.41 1.75 0.08 0.00 0.00 -1.26 -4.95 107.32 105.35 3k77 s GLY 80 Ca 0.09 -1.86 -0.30 0.00 0.00 0.00 0.00 44.72 42.65 3k77 s GLY 80 CO -0.13 -1.30 1.65 0.83 0.00 0.00 0.00 173.10 174.15 3k77 h GLU 81 N -0.39 -0.63 -0.58 2.90 4.39 -2.01 -2.08 114.58 116.17 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 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 3k77 h GLU 81 CO 0.39 -0.42 0.00 1.04 -1.16 0.00 0.00 179.01 178.86 3k77 n GLN 82 N -5.38 0.77 -0.07 2.33 1.13 -1.26 -3.42 117.38 111.48 3k77 n GLN 82 Ca -0.11 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 54.90 3k77 n GLN 82 Cb 0.28 -1.29 -0.14 0.00 0.11 0.00 0.00 30.24 29.20 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 -0.04 0.65 -4.70 1.08 4.64 -0.78 -4.94 116.55 112.46 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 41.36 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 3.59 0.31 -0.67 1.51 -1.22 -4.76 117.35 113.47 3k77 s TYR 84 Ca -0.08 1.63 -0.16 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 0.74 -0.18 0.76 -2.00 -1.11 0.00 0.00 175.55 173.75 3k77 s GLU 85 N 1.37 4.08 -0.08 -0.62 2.56 0.36 -4.84 118.70 121.52 3k77 s GLU 85 Ca 0.51 0.75 -0.27 0.00 0.00 0.00 0.00 54.97 55.97 3k77 s GLU 85 Cb -0.21 -2.49 -0.02 0.00 2.00 0.00 0.00 34.13 33.41 3k77 s GLU 85 CO 0.25 0.18 0.88 0.08 -0.56 0.00 0.00 175.26 176.09 3k77 s VAL 86 N -1.92 4.89 -0.27 3.70 1.01 -1.26 0.32 120.40 126.87 3k77 s VAL 86 Ca 0.53 1.80 -0.13 0.00 0.00 0.00 0.00 61.98 64.18 3k77 s VAL 86 Cb -0.11 -4.21 -0.13 0.00 0.00 0.00 0.00 36.38 31.93 3k77 s VAL 86 CO 0.18 0.11 -0.32 -0.11 0.00 0.00 0.00 175.10 174.96 3k77 n LEU 87 N 4.47 2.05 -4.16 3.92 7.94 -0.27 -4.61 117.00 126.34 3k77 n LEU 87 Ca 0.05 0.30 -0.34 0.00 -1.11 0.00 0.00 56.01 54.90 3k77 n LEU 87 Cb 0.50 -0.84 -0.14 0.00 0.53 0.00 0.00 43.42 43.47 3k77 n LEU 87 CO 0.50 0.60 -0.38 -0.22 -1.11 0.00 0.00 177.39 176.78 3k77 s LEU 88 N -7.43 3.67 0.76 -1.96 2.96 -0.45 -0.44 118.68 115.78 3k77 s LEU 88 Ca -0.38 -1.20 -0.15 0.00 -0.22 0.00 0.00 54.13 52.18 3k77 s LEU 88 Cb 0.14 -1.68 0.05 0.00 0.50 0.00 0.00 46.19 45.21 3k77 s LEU 88 CO 0.51 -0.22 1.24 0.54 -1.32 0.00 0.00 176.35 177.09 3k77 s VAL 89 N 1.25 2.02 -0.43 1.68 0.11 -1.26 -1.98 120.40 121.78 3k77 s VAL 89 Ca -0.05 0.01 -0.43 0.00 -2.93 0.00 0.00 61.98 58.58 3k77 s VAL 89 Cb -0.19 -2.60 -0.18 0.00 -1.53 0.00 0.00 36.38 31.88 3k77 s VAL 89 CO -0.02 -0.01 1.86 0.41 -3.33 0.00 0.00 175.10 174.01 3k77 n THR 90 N -2.86 0.09 -4.84 5.04 -1.04 -1.26 -4.77 114.28 104.64 3k77 n THR 90 Ca 0.14 -0.04 -0.32 0.00 -2.04 0.00 0.00 64.05 61.79 3k77 n THR 90 Cb 0.50 -0.80 -0.13 0.00 -1.82 0.00 0.00 70.33 68.07 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 4.48 3.83 0.15 8.00 0.01 0.07 -4.92 113.70 125.32 3k77 s SER 91 Ca 1.08 -0.32 -0.24 0.00 1.31 0.00 0.00 55.95 57.79 3k77 s SER 91 Cb -1.33 -0.70 -0.08 0.00 0.21 0.00 0.00 66.02 64.13 3k77 s SER 91 CO 0.70 0.31 0.74 -0.55 0.41 0.00 0.00 173.24 174.84 3k77 s SER 92 N -1.01 7.32 0.00 2.44 0.15 -1.26 -1.23 113.70 120.10 3k77 s SER 92 Ca 0.13 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.34 3k77 s SER 92 Cb -0.10 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3k77 s SER 92 CO 0.02 0.21 0.00 0.49 1.20 0.00 0.00 173.24 175.17 3k77 n PHE 93 N 1.56 0.00 -3.64 3.44 3.72 -0.21 -4.97 117.46 117.36 3k77 n PHE 93 Ca -0.06 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.21 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 -0.51 0.79 0.69 -1.08 1.75 -1.17 -4.79 119.30 114.98 3k77 s MET 94 Ca 0.00 1.02 -0.06 0.00 -1.25 0.00 0.00 55.69 55.40 3k77 s MET 94 Cb 0.00 0.34 0.05 0.00 2.84 0.00 0.00 34.83 38.07 3k77 s MET 94 CO 0.00 -0.11 1.00 -1.54 -0.65 0.00 0.00 175.02 173.72 3k77 s SER 95 N 0.64 4.95 0.16 1.11 1.04 -1.26 -4.72 113.70 115.61 3k77 s SER 95 Ca -0.02 0.50 -0.16 0.00 0.48 0.00 0.00 55.95 56.75 3k77 s SER 95 Cb -0.05 -1.21 0.05 0.00 0.10 0.00 0.00 66.02 64.91 3k77 s SER 95 CO -0.03 -1.51 1.79 -0.65 0.98 0.00 0.00 173.24 173.82 3k77 h PRO 96 N -0.53 0.41 -0.14 4.02 0.11 -1.97 0.33 132.00 134.23 3k77 h PRO 96 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3k77 h PRO 96 Cb 1.31 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3k77 h PRO 96 CO 0.60 0.27 0.09 0.77 -0.21 0.00 0.00 178.00 179.52 3k77 h SER 97 N 0.42 0.14 -0.40 -2.05 0.02 -1.95 0.16 113.55 109.89 3k77 h SER 97 Ca 0.16 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3k77 h SER 97 Cb 0.05 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3k77 h SER 97 CO -0.10 0.10 0.13 -0.33 -1.14 0.00 0.00 176.83 175.50 3k77 h GLU 98 N 0.18 0.62 -0.88 3.45 5.08 -1.83 -0.86 114.58 120.34 3k77 h GLU 98 Ca 0.05 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3k77 h GLU 98 Cb -0.01 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 3k77 h GLU 98 CO -0.02 0.61 0.55 0.77 -1.00 0.00 0.00 179.01 179.92 3k77 h SER 99 N 0.50 0.87 -0.47 1.42 0.02 0.00 1.18 113.55 117.07 3k77 h SER 99 Ca 0.13 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 3k77 h SER 99 Cb 0.24 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3k77 h SER 99 CO -0.01 0.56 -0.23 0.03 -1.14 0.00 0.00 176.83 176.05 3k77 h ARG 100 N 1.01 0.99 0.00 3.45 3.08 -0.40 -3.25 114.38 119.26 3k77 h ARG 100 Ca 0.38 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3k77 h ARG 100 Cb 0.15 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3k77 h ARG 100 CO -0.17 1.10 -0.92 -1.13 -1.07 0.00 0.00 179.97 177.78 3k77 n SER 101 N -4.11 0.64 0.00 7.04 3.41 -0.35 -4.97 113.62 115.27 3k77 n SER 101 Ca -0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3k77 n SER 101 Cb 0.46 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 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 1.35 0.40 3.75 5.00 0.00 0.40 -5.05 105.19 111.04 3k77 n GLY 102 Ca 0.02 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 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 7.46 -1.15 1.61 0.01 -0.50 -4.25 113.70 113.91 3k77 s SER 103 Ca 0.00 1.73 -0.14 0.00 1.31 0.00 0.00 55.95 58.85 3k77 s SER 103 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 3k77 s SER 103 CO 0.00 0.11 0.80 0.59 0.41 0.00 0.00 173.24 175.15 3k77 n ASN 104 N 1.98 -4.89 0.05 2.44 4.13 -1.26 -4.61 115.26 113.09 3k77 n ASN 104 Ca -0.03 -0.91 0.13 0.00 1.68 0.00 0.00 54.58 55.45 3k77 n ASN 104 Cb 0.48 -3.91 0.37 0.00 -1.54 0.00 0.00 39.78 35.18 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 0.15 -0.33 3.52 -0.02 -1.26 -4.21 135.00 128.88 3k77 n PRO 105 Ca -0.12 0.08 0.08 0.00 -2.02 0.00 0.00 63.50 61.52 3k77 n PRO 105 Cb 0.61 -1.64 0.23 0.00 -0.02 0.00 0.00 33.50 32.69 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 -1.88 3.56 -4.66 2.55 5.03 -1.26 -1.62 115.26 116.98 3k77 n ASN 106 Ca 0.05 -2.28 -0.49 0.00 0.87 0.00 0.00 54.58 52.74 3k77 n ASN 106 Cb 0.39 -0.38 -0.05 0.00 -1.02 0.00 0.00 39.78 38.72 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 0.54 1.88 -4.26 3.52 0.63 -1.26 -4.29 116.66 113.43 3k77 n ARG 107 Ca 0.17 0.68 -0.34 0.00 -0.92 0.00 0.00 57.85 57.44 3k77 n ARG 107 Cb 0.62 -2.44 -0.10 0.00 0.45 0.00 0.00 32.46 30.99 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 1.74 4.34 -0.04 5.15 0.11 -1.26 -1.12 120.40 129.32 3k77 s VAL 108 Ca 0.85 -0.21 0.02 0.00 -2.93 0.00 0.00 61.98 59.71 3k77 s VAL 108 Cb -0.77 -2.90 0.01 0.00 -1.53 0.00 0.00 36.38 31.19 3k77 s VAL 108 CO 0.45 0.52 -0.10 -0.13 -3.33 0.00 0.00 175.10 172.51 3k77 s ARG 109 N -0.04 1.21 -0.14 1.54 0.52 0.18 -4.97 118.95 117.25 3k77 s ARG 109 Ca 0.04 -0.33 -0.07 0.00 -0.52 0.00 0.00 55.73 54.84 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 0.08 0.13 1.41 0.02 0.00 0.00 175.30 176.96 3k77 s MET 110 N 0.40 3.60 -0.28 3.54 1.75 -1.26 -1.07 119.30 125.99 3k77 s MET 110 Ca -0.07 -0.16 0.01 0.00 -1.25 0.00 0.00 55.69 54.21 3k77 s MET 110 Cb -0.12 -3.23 0.08 0.00 2.84 0.00 0.00 34.83 34.41 3k77 s MET 110 CO 0.01 0.66 0.03 -0.06 -0.65 0.00 0.00 175.02 175.01 3k77 s PHE 111 N -0.69 2.35 0.49 4.11 0.40 0.76 -4.99 117.98 120.41 3k77 s PHE 111 Ca 0.13 -1.94 -0.08 0.00 -0.60 0.00 0.00 56.93 54.44 3k77 s PHE 111 Cb -0.12 -1.87 0.11 0.00 0.51 0.00 0.00 43.02 41.66 3k77 s PHE 111 CO 0.03 -0.83 0.67 0.41 0.70 0.00 0.00 175.22 176.19 3k77 n GLY 112 N 4.67 -1.11 0.31 4.36 0.00 -1.26 -0.88 105.19 111.28 3k77 n GLY 112 Ca -0.05 -1.72 0.13 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.86 -1.88 132.00 129.98 3k77 h PRO 113 Ca -0.22 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.85 3k77 h PRO 113 Cb 0.61 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3k77 h PRO 113 CO 0.16 0.00 -0.18 0.38 -0.21 0.00 0.00 178.00 178.15 3k77 h ASP 114 N 0.00 0.00 0.05 -2.05 -0.00 -1.92 -3.26 116.42 109.24 3k77 h ASP 114 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.12 3k77 h ASP 114 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.71 3k77 h ASP 114 CO -0.00 0.18 -0.45 0.29 -0.00 0.00 0.00 179.24 179.27 3k77 n LYS 115 N -3.16 1.08 -3.29 4.15 5.02 -0.71 -4.91 118.16 116.34 3k77 n LYS 115 Ca 0.03 -0.85 -0.27 0.00 -2.02 0.00 0.00 58.31 55.20 3k77 n LYS 115 Cb 0.59 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 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 -2.50 4.01 0.03 -0.35 1.43 -1.16 -4.70 118.68 115.44 3k77 s LEU 116 Ca 0.19 0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 3k77 s LEU 116 Cb 0.18 -3.51 -0.06 0.00 0.03 0.00 0.00 46.19 42.84 3k77 s LEU 116 CO 0.57 -0.25 1.31 0.68 0.23 0.00 0.00 176.35 178.89 3k77 s VAL 117 N -2.19 3.82 -0.42 -1.59 -7.23 0.41 -4.93 120.40 108.27 3k77 s VAL 117 Ca 0.43 1.25 0.23 0.00 -1.81 0.00 0.00 61.98 62.08 3k77 s VAL 117 Cb -0.10 -3.80 0.30 0.00 0.56 0.00 0.00 36.38 33.33 3k77 s VAL 117 CO 0.33 0.05 1.54 0.03 -0.31 0.00 0.00 175.10 176.73 3k77 h ARG 118 N 7.27 0.00 0.10 4.82 3.08 -1.89 0.71 114.38 128.47 3k77 h ARG 118 Ca -0.39 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 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 0.86 0.00 -0.05 0.00 -1.07 0.00 0.00 179.97 179.72 3k77 h ALA 119 N 2.00 -0.14 -0.38 0.04 0.00 -1.94 -1.20 119.26 117.64 3k77 h ALA 119 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3k77 h ALA 119 Cb 1.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3k77 h ALA 119 CO 0.00 -0.48 -0.37 0.00 0.00 0.00 0.00 179.25 178.40 3k77 h ALA 120 N 0.53 0.60 0.00 0.00 0.00 -1.80 -3.15 119.26 115.44 3k77 h ALA 120 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3k77 h ALA 120 Cb 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 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 -2.54 1.62 0.09 0.00 0.00 0.24 -2.48 120.51 117.43 3k77 n ALA 121 Ca -0.02 0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.42 3k77 n ALA 121 Cb 0.54 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 3k77 n ALA 121 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3k77 h GLU 122 N 0.00 0.08 -6.94 0.00 4.57 -1.17 -3.42 114.58 107.70 3k77 h GLU 122 Ca 0.00 -0.10 -0.45 0.00 -1.18 0.00 0.00 59.36 57.63 3k77 h GLU 122 Cb 0.32 0.03 0.06 0.00 -0.16 0.00 0.00 28.75 29.00 3k77 h GLU 122 CO 0.00 0.92 0.02 0.15 -1.18 0.00 0.00 179.01 178.93 3k77 s LYS 123 N -3.04 2.29 -0.05 1.92 1.02 -1.04 -5.05 119.74 115.78 3k77 s LYS 123 Ca -0.01 -0.83 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 3k77 s LYS 123 Cb 0.10 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.95 3k77 s LYS 123 CO 0.82 -0.95 0.09 1.03 -0.92 0.00 0.00 175.35 175.42 3k77 s ARG 124 N -4.90 3.20 0.17 1.68 0.52 -1.26 -4.44 118.95 113.93 3k77 s ARG 124 Ca 0.60 -0.35 -0.01 0.00 -0.52 0.00 0.00 55.73 55.46 3k77 s ARG 124 Cb -0.09 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 3k77 s ARG 124 CO 0.40 0.70 0.08 -1.58 0.02 0.00 0.00 175.30 174.93 3k77 s TRP 125 N -1.10 1.07 0.00 -0.53 0.52 0.46 -4.82 118.94 114.54 3k77 s TRP 125 Ca 0.19 -1.26 0.00 0.00 0.02 0.00 0.00 56.10 55.05 3k77 s TRP 125 Cb -0.12 -0.57 0.00 0.00 -1.15 0.00 0.00 33.47 31.63 3k77 s TRP 125 CO 0.09 -0.52 0.26 -0.40 0.02 0.00 0.00 176.95 176.41 3k77 n ASP 126 N -0.21 0.31 -4.25 2.95 5.75 -1.14 0.44 116.55 120.40 3k77 n ASP 126 Ca -0.02 -1.07 -0.24 0.00 -0.01 0.00 0.00 54.79 53.45 3k77 n ASP 126 Cb 0.65 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 -0.07 1.24 -0.05 0.11 1.81 -0.73 -0.36 118.95 120.90 3k77 s ARG 127 Ca 0.00 -1.00 -0.02 0.00 -1.72 0.00 0.00 55.73 52.99 3k77 s ARG 127 Cb 0.00 -1.39 0.04 0.00 -0.45 0.00 0.00 34.95 33.15 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 -0.16 -0.22 3.52 1.01 -0.02 -1.89 120.40 121.70 3k77 s VAL 128 Ca 0.06 0.40 -0.07 0.00 0.00 0.00 0.00 61.98 62.37 3k77 s VAL 128 Cb -0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 3k77 s VAL 128 CO 0.03 0.17 0.07 -0.75 0.00 0.00 0.00 175.10 174.61 3k77 s LYS 129 N 2.21 3.81 -0.20 2.72 2.20 0.87 0.06 119.74 131.41 3k77 s LYS 129 Ca 0.04 -0.41 -0.02 0.00 -0.36 0.00 0.00 55.97 55.22 3k77 s LYS 129 Cb -0.12 -3.28 -0.00 0.00 -1.51 0.00 0.00 37.83 32.92 3k77 s LYS 129 CO -0.04 0.03 -0.09 0.42 -0.36 0.00 0.00 175.35 175.31 3k77 s ILE 130 N 1.03 3.04 -0.18 5.43 1.01 -0.21 -0.04 121.20 131.28 3k77 s ILE 130 Ca 0.04 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 3k77 s ILE 130 Cb -0.14 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 3k77 s ILE 130 CO 0.03 0.46 -0.05 -0.69 0.00 0.00 0.00 174.94 174.69 3k77 s VAL 131 N 1.27 3.57 -0.08 2.92 1.01 0.45 -2.11 120.40 127.44 3k77 s VAL 131 Ca 0.03 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3k77 s VAL 131 Cb -0.14 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 3k77 s VAL 131 CO -0.04 0.46 -0.12 0.00 0.00 0.00 0.00 175.10 175.40 3k77 s SER 133 N -0.49 2.46 -0.43 0.00 0.01 -0.35 -1.05 113.70 113.86 3k77 s SER 133 Ca 0.07 -0.63 0.05 0.00 1.31 0.00 0.00 55.95 56.74 3k77 s SER 133 Cb -0.12 -0.15 0.17 0.00 0.21 0.00 0.00 66.02 66.13 3k77 s SER 133 CO 0.02 0.08 0.47 -1.58 0.41 0.00 0.00 173.24 172.64 3k77 s GLN 134 N -1.67 0.88 0.14 12.44 2.00 -0.21 -0.23 119.66 133.01 3k77 s GLN 134 Ca 0.06 -1.43 0.25 0.00 -2.00 0.00 0.00 55.36 52.24 3k77 s GLN 134 Cb -0.10 -0.80 0.63 0.00 0.80 0.00 0.00 33.01 33.54 3k77 s GLN 134 CO 0.03 -1.32 1.58 -2.30 -0.50 0.00 0.00 175.29 172.78 3k77 n PRO 135 N 3.28 0.24 0.01 1.67 -0.02 -1.26 -4.06 135.00 134.86 3k77 n PRO 135 Ca 0.21 0.13 0.11 0.00 -2.02 0.00 0.00 63.50 61.93 3k77 n PRO 135 Cb 0.50 -1.71 0.11 0.00 -0.02 0.00 0.00 33.50 32.37 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 -2.09 0.07 -3.67 6.00 4.01 -1.26 -4.87 117.16 115.34 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 0.42 -0.23 -0.10 0.00 -0.31 0.00 0.00 39.34 39.12 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 -3.22 -0.55 -0.05 7.72 0.15 -1.26 -4.33 113.70 112.16 3k77 s SER 137 Ca 0.09 1.05 0.14 0.00 0.70 0.00 0.00 55.95 57.93 3k77 s SER 137 Cb 0.16 1.10 0.44 0.00 -1.71 0.00 0.00 66.02 66.01 3k77 s SER 137 CO 0.77 -0.21 1.37 0.29 1.20 0.00 0.00 173.24 176.65 3k77 n LYS 138 N 4.63 2.99 0.16 5.44 5.02 -1.26 -4.64 118.16 130.50 3k77 n LYS 138 Ca -0.18 -2.39 0.03 0.00 -2.02 0.00 0.00 58.31 53.75 3k77 n LYS 138 Cb 0.54 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 34.28 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 2.44 0.00 -5.09 4.39 3.32 -1.94 -3.07 116.42 116.46 3k77 h ASP 139 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3k77 h ASP 139 Cb 1.01 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.38 3k77 h ASP 139 CO 0.08 0.48 -0.57 -0.44 -1.72 0.00 0.00 179.24 177.07 3k77 s SER 140 N -6.53 0.23 0.57 6.45 0.01 -1.26 -4.91 113.70 108.25 3k77 s SER 140 Ca 0.00 -0.59 -0.20 0.00 1.31 0.00 0.00 55.95 56.47 3k77 s SER 140 Cb 0.11 0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.50 3k77 s SER 140 CO 0.72 -0.49 1.27 -2.84 0.41 0.00 0.00 173.24 172.30 3k77 s PRO 141 N -2.62 3.08 0.18 12.44 0.02 -1.26 -4.09 135.00 142.74 3k77 s PRO 141 Ca -0.05 2.00 -0.02 0.00 0.02 0.00 0.00 61.00 62.95 3k77 s PRO 141 Cb -0.01 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.37 3k77 s PRO 141 CO -0.05 -1.17 0.13 -0.59 -0.33 0.00 0.00 177.00 174.99 3k77 s PHE 142 N -1.45 0.98 0.00 6.54 -0.12 -1.26 -4.89 117.98 117.77 3k77 s PHE 142 Ca 0.74 -1.27 0.00 0.00 -0.05 0.00 0.00 56.93 56.35 3k77 s PHE 142 Cb -0.35 -0.47 0.00 0.00 -0.63 0.00 0.00 43.02 41.57 3k77 s PHE 142 CO 0.39 -0.62 0.00 0.41 -0.05 0.00 0.00 175.22 175.36 3k77 n GLY 143 N -0.21 -0.86 3.31 1.99 0.00 -0.22 -1.56 105.19 107.65 3k77 n GLY 143 Ca -0.01 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 3k77 n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k77 s LEU 144 N 0.00 2.39 -0.14 0.99 1.43 -0.24 -2.08 118.68 121.03 3k77 s LEU 144 Ca 0.00 -0.81 -0.17 0.00 -1.03 0.00 0.00 54.13 52.13 3k77 s LEU 144 Cb 0.00 -0.82 -0.24 0.00 0.03 0.00 0.00 46.19 45.15 3k77 s LEU 144 CO 0.00 -0.01 0.42 -1.28 0.23 0.00 0.00 176.35 175.71 3k77 h SER 145 N 3.51 0.25 -5.03 2.29 0.87 0.72 -0.46 113.55 115.71 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 0.48 1.59 0.23 0.72 -0.53 0.00 0.00 176.83 179.31 3k77 s PHE 146 N -2.44 0.03 -0.17 2.24 -0.12 -1.10 -4.18 117.98 112.24 3k77 s PHE 146 Ca -0.23 -0.59 -0.11 0.00 -0.05 0.00 0.00 56.93 55.95 3k77 s PHE 146 Cb 0.05 0.73 0.06 0.00 -0.63 0.00 0.00 43.02 43.23 3k77 s PHE 146 CO 0.71 -1.40 0.43 0.54 -0.05 0.00 0.00 175.22 175.45 3k77 s VAL 147 N -3.06 -0.02 -0.12 -2.49 0.11 -1.26 -1.58 120.40 111.98 3k77 s VAL 147 Ca 0.14 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.27 3k77 s VAL 147 Cb -0.05 -0.63 0.02 0.00 -1.53 0.00 0.00 36.38 34.19 3k77 s VAL 147 CO 0.10 0.03 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.62 3k77 s ARG 148 N 1.16 2.19 0.01 1.54 0.52 -0.51 -4.57 118.95 119.29 3k77 s ARG 148 Ca -0.08 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 3k77 s ARG 148 Cb -0.07 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.43 3k77 s ARG 148 CO -0.10 -0.13 0.08 -0.06 0.02 0.00 0.00 175.30 175.11 3k77 s PHE 149 N 1.18 3.27 -0.02 -0.53 0.08 -1.26 -0.59 117.98 120.10 3k77 s PHE 149 Ca -0.03 0.19 0.03 0.00 0.12 0.00 0.00 56.93 57.24 3k77 s PHE 149 Cb -0.14 -1.72 -0.00 0.00 -0.57 0.00 0.00 43.02 40.59 3k77 s PHE 149 CO -0.05 0.54 -0.09 -1.01 -0.10 0.00 0.00 175.22 174.52 3k77 s HIS 150 N -1.22 0.85 0.64 0.36 3.76 -0.85 -0.53 115.29 118.30 3k77 s HIS 150 Ca 0.24 -0.19 -0.09 0.00 -0.15 0.00 0.00 55.06 54.87 3k77 s HIS 150 Cb -0.12 -0.59 0.01 0.00 1.11 0.00 0.00 32.58 32.99 3k77 s HIS 150 CO 0.15 -0.06 0.99 -1.54 -0.85 0.00 0.00 174.74 173.43 3k77 s SER 151 N 0.02 5.61 0.49 1.40 1.04 0.81 0.48 113.70 123.54 3k77 s SER 151 Ca -0.00 0.95 -0.23 0.00 0.48 0.00 0.00 55.95 57.14 3k77 s SER 151 Cb -0.06 -1.88 -0.08 0.00 0.10 0.00 0.00 66.02 64.11 3k77 s SER 151 CO 0.00 -1.14 1.23 -2.65 0.98 0.00 0.00 173.24 171.66 3k77 n PRO 152 N -2.76 1.65 0.00 4.02 -0.02 -1.25 -2.93 135.00 133.71 3k77 n PRO 152 Ca 0.05 0.60 0.15 0.00 -2.02 0.00 0.00 63.50 62.28 3k77 n PRO 152 Cb 0.57 -2.38 0.88 0.00 -0.02 0.00 0.00 33.50 32.55 3k77 n PRO 152 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18