#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b77 s LYS 2 N 0.00 0.34 -0.23 0.03 1.02 -1.26 -0.92 119.74 118.71 1b77 s LYS 2 Ca 0.00 0.67 -0.02 0.00 0.02 0.00 0.00 55.97 56.64 1b77 s LYS 2 Cb 0.00 -0.03 0.01 0.00 -0.52 0.00 0.00 37.83 37.30 1b77 s LYS 2 CO 0.00 -0.15 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.71 1b77 s LEU 3 N 1.21 2.99 0.76 3.17 1.02 -1.26 -4.64 118.68 121.93 1b77 s LEU 3 Ca -0.08 -0.69 -0.11 0.00 0.02 0.00 0.00 54.13 53.26 1b77 s LEU 3 Cb -0.08 -1.67 0.05 0.00 0.02 0.00 0.00 46.19 44.50 1b77 s LEU 3 CO -0.10 -0.08 1.09 -0.94 0.02 0.00 0.00 176.35 176.34 1b77 s SER 4 N 1.38 4.86 0.38 2.29 1.04 -1.26 -4.82 113.70 117.57 1b77 s SER 4 Ca 0.03 1.28 0.11 0.00 0.48 0.00 0.00 55.95 57.84 1b77 s SER 4 Cb -0.15 -2.04 0.89 0.00 0.10 0.00 0.00 66.02 64.81 1b77 s SER 4 CO -0.05 -1.73 1.90 0.11 0.98 0.00 0.00 173.24 174.45 1b77 h LYS 5 N -0.92 0.58 -0.34 4.02 1.79 -1.99 -0.80 116.57 118.91 1b77 h LYS 5 Ca -0.46 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 57.91 1b77 h LYS 5 Cb 1.26 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 1b77 h LYS 5 CO 0.60 0.39 -0.04 -0.44 -1.08 0.00 0.00 179.45 178.88 1b77 h ASP 6 N 0.60 0.62 -0.50 0.86 3.32 -1.99 -0.12 116.42 119.21 1b77 h ASP 6 Ca 0.40 -0.34 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 1b77 h ASP 6 Cb 0.69 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1b77 h ASP 6 CO -0.16 0.81 -0.17 0.74 -1.72 0.00 0.00 179.24 178.74 1b77 h THR 7 N 0.42 1.27 -0.74 0.35 2.02 -1.70 -2.35 112.91 112.17 1b77 h THR 7 Ca 0.09 -1.33 -0.05 0.00 0.77 0.00 0.00 66.41 65.89 1b77 h THR 7 Cb 0.51 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1b77 h THR 7 CO 0.02 0.47 0.28 0.40 0.37 0.00 0.00 175.52 177.06 1b77 h ILE 8 N 0.88 1.26 -0.47 3.11 2.04 -1.11 0.08 117.51 123.30 1b77 h ILE 8 Ca 0.12 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.17 1b77 h ILE 8 Cb 0.75 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1b77 h ILE 8 CO 0.06 0.33 0.29 0.00 0.00 0.00 0.00 178.15 178.83 1b77 h ALA 9 N 1.14 0.60 -0.24 1.87 0.00 -0.79 -0.82 119.26 121.01 1b77 h ALA 9 Ca 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1b77 h ALA 9 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1b77 h ALA 9 CO -0.02 -0.00 0.06 0.82 0.00 0.00 0.00 179.25 180.11 1b77 h ILE 10 N 0.59 1.21 -0.58 0.00 2.04 -1.03 -2.85 117.51 116.89 1b77 h ILE 10 Ca 0.18 -0.69 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1b77 h ILE 10 Cb -0.02 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1b77 h ILE 10 CO -0.06 0.22 0.38 -0.07 0.00 0.00 0.00 178.15 178.62 1b77 h LEU 11 N 0.20 0.48 -0.57 1.44 3.38 -0.62 -1.24 115.31 118.39 1b77 h LEU 11 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1b77 h LEU 11 Cb 0.28 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1b77 h LEU 11 CO 0.00 0.32 0.26 0.11 0.09 0.00 0.00 178.44 179.21 1b77 h LYS 12 N 0.55 0.83 -0.69 1.13 1.57 -0.93 0.91 116.57 119.93 1b77 h LYS 12 Ca 0.25 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1b77 h LYS 12 Cb 0.28 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1b77 h LYS 12 CO -0.07 0.69 0.25 -0.97 -0.57 0.00 0.00 179.45 178.78 1b77 h ASN 13 N 0.78 0.97 -0.31 0.86 -0.73 -1.10 -1.93 115.58 114.11 1b77 h ASN 13 Ca 0.19 -0.16 -0.04 0.00 1.87 0.00 0.00 56.30 58.17 1b77 h ASN 13 Cb 0.15 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 1b77 h ASN 13 CO -0.02 0.88 0.09 -0.26 -0.37 0.00 0.00 177.43 177.75 1b77 h PHE 14 N 1.01 0.59 0.00 0.67 -1.00 -0.46 -1.67 116.94 116.07 1b77 h PHE 14 Ca 0.23 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.97 1b77 h PHE 14 Cb 0.24 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1b77 h PHE 14 CO 0.02 0.51 0.00 0.00 -1.61 0.00 0.00 178.31 177.23 1b77 h ALA 15 N 1.54 1.00 0.00 2.45 0.00 -0.05 -1.90 119.26 122.30 1b77 h ALA 15 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1b77 h ALA 15 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1b77 h ALA 15 CO -0.00 0.00 -0.13 0.66 0.00 0.00 0.00 179.25 179.77 1b77 h SER 16 N 0.00 0.00 0.42 0.00 4.64 -1.05 -3.30 113.55 114.25 1b77 h SER 16 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 1b77 h SER 16 Cb 0.40 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 1b77 h SER 16 CO 0.00 0.13 -1.75 0.40 -0.87 0.00 0.00 176.83 174.74 1b77 h ILE 17 N 0.00 0.83 -2.29 0.95 2.04 -1.34 -3.46 117.51 114.23 1b77 h ILE 17 Ca -0.00 -2.64 -0.03 0.00 1.00 0.00 0.00 64.86 63.19 1b77 h ILE 17 Cb 1.07 2.46 -0.24 0.00 -0.74 0.00 0.00 36.82 39.38 1b77 h ILE 17 CO 0.02 0.61 -0.22 0.21 0.00 0.00 0.00 178.15 178.76 1b77 s ASN 18 N -6.37 -0.68 0.59 1.72 3.84 -0.96 -4.14 114.94 108.94 1b77 s ASN 18 Ca -0.09 1.24 0.29 0.00 0.21 0.00 0.00 52.86 54.51 1b77 s ASN 18 Cb 0.08 1.57 1.76 0.00 -0.55 0.00 0.00 41.25 44.10 1b77 s ASN 18 CO 0.81 -0.22 2.20 0.77 -2.79 0.00 0.00 177.10 177.87 1b77 h SER 19 N 7.78 0.00 -1.27 -4.21 4.64 -1.85 -3.37 113.55 115.28 1b77 h SER 19 Ca -0.22 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.52 1b77 h SER 19 Cb 1.14 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.14 1b77 h SER 19 CO 0.15 0.00 -0.46 -0.83 -0.87 0.00 0.00 176.83 174.82 1b77 s GLY 20 N -4.07 2.42 0.13 -0.77 0.00 -1.24 -0.90 107.32 102.89 1b77 s GLY 20 Ca -0.05 -1.76 -0.24 0.00 0.00 0.00 0.00 44.72 42.67 1b77 s GLY 20 CO 0.55 -1.95 0.66 -1.50 0.00 0.00 0.00 173.10 170.87 1b77 s ILE 21 N -2.66 0.00 -0.22 0.90 2.07 -0.33 -4.90 121.20 116.07 1b77 s ILE 21 Ca 0.36 -0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.56 1b77 s ILE 21 Cb 0.02 -1.05 0.03 0.00 0.13 0.00 0.00 42.46 41.59 1b77 s ILE 21 CO 0.20 0.00 -0.13 -0.22 -1.91 0.00 0.00 174.94 172.88 1b77 s LEU 22 N -2.71 2.73 -0.24 8.50 2.96 -1.26 -0.05 118.68 128.62 1b77 s LEU 22 Ca 0.02 -0.82 -0.15 0.00 -0.22 0.00 0.00 54.13 52.96 1b77 s LEU 22 Cb -0.01 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 1b77 s LEU 22 CO -0.11 -0.07 0.36 -0.76 -1.32 0.00 0.00 176.35 174.45 1b77 s LEU 23 N 1.28 4.10 0.02 -0.68 1.43 0.08 -4.77 118.68 120.14 1b77 s LEU 23 Ca 0.01 0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.52 1b77 s LEU 23 Cb -0.15 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1b77 s LEU 23 CO -0.08 -0.11 -0.09 -0.44 0.23 0.00 0.00 176.35 175.86 1b77 s SER 24 N 1.31 4.48 0.30 2.29 0.01 -1.26 -1.75 113.70 119.08 1b77 s SER 24 Ca 0.16 -0.20 -0.28 0.00 1.31 0.00 0.00 55.95 56.94 1b77 s SER 24 Cb -0.15 -0.99 -0.14 0.00 0.21 0.00 0.00 66.02 64.95 1b77 s SER 24 CO 0.08 0.27 1.05 0.00 0.41 0.00 0.00 173.24 175.06 1b77 n GLN 25 N 1.50 1.47 0.00 12.44 6.02 -1.26 -4.73 117.38 132.82 1b77 n GLN 25 Ca -0.15 0.52 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1b77 n GLN 25 Cb 0.52 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1b77 n GLN 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b77 n GLY 26 N 1.15 0.77 2.29 1.08 0.00 -0.59 -4.85 105.19 105.02 1b77 n GLY 26 Ca 0.09 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 1b77 n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b77 n LYS 27 N 0.00 2.66 -4.25 1.61 5.02 -1.26 0.16 118.16 122.10 1b77 n LYS 27 Ca 0.00 -3.80 -0.17 0.00 -2.02 0.00 0.00 58.31 52.32 1b77 n LYS 27 Cb 0.00 -1.91 -0.15 0.00 -0.02 0.00 0.00 35.03 32.95 1b77 n LYS 27 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1b77 s PHE 28 N -3.57 0.62 0.03 2.13 5.36 -1.26 -0.87 117.98 120.43 1b77 s PHE 28 Ca 0.40 -0.12 0.02 0.00 -0.96 0.00 0.00 56.93 56.27 1b77 s PHE 28 Cb 0.37 -0.40 -0.02 0.00 -0.34 0.00 0.00 43.02 42.63 1b77 s PHE 28 CO -0.00 -0.01 -0.07 0.96 -1.46 0.00 0.00 175.22 174.64 1b77 s ILE 29 N -0.16 0.45 0.15 3.12 -4.36 -0.20 -4.68 121.20 115.51 1b77 s ILE 29 Ca 0.03 -0.87 -0.15 0.00 -0.26 0.00 0.00 60.65 59.40 1b77 s ILE 29 Cb -0.03 -0.50 0.02 0.00 1.25 0.00 0.00 42.46 43.21 1b77 s ILE 29 CO -0.00 -0.29 0.40 0.00 0.24 0.00 0.00 174.94 175.29 1b77 s MET 30 N -1.25 1.15 0.20 0.37 0.23 -1.26 -0.61 119.30 118.13 1b77 s MET 30 Ca -0.08 -0.83 -0.22 0.00 -1.03 0.00 0.00 55.69 53.53 1b77 s MET 30 Cb -0.08 0.46 0.05 0.00 -1.53 0.00 0.00 34.83 33.73 1b77 s MET 30 CO 0.00 -0.45 0.62 -0.08 -2.03 0.00 0.00 175.02 173.08 1b77 s THR 31 N -3.85 0.00 -0.08 3.16 -1.32 -0.12 -4.68 115.64 108.76 1b77 s THR 31 Ca 0.07 -0.38 -0.07 0.00 -1.21 0.00 0.00 61.69 60.10 1b77 s THR 31 Cb 0.01 -1.35 0.02 0.00 -1.51 0.00 0.00 72.50 69.68 1b77 s THR 31 CO -0.08 -0.02 0.21 -0.60 -2.21 0.00 0.00 174.62 171.93 1b77 s ARG 32 N -3.81 0.24 0.65 7.08 3.52 -1.26 -1.47 118.95 123.90 1b77 s ARG 32 Ca 0.05 0.31 -0.18 0.00 -0.13 0.00 0.00 55.73 55.78 1b77 s ARG 32 Cb -0.02 0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.45 1b77 s ARG 32 CO -0.06 -0.04 1.15 0.00 -0.81 0.00 0.00 175.30 175.54 1b77 n ALA 33 N 3.07 0.63 0.08 6.12 0.00 0.05 -4.75 120.51 125.71 1b77 n ALA 33 Ca -0.14 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.29 1b77 n ALA 33 Cb 0.58 -2.23 0.40 0.00 0.00 0.00 0.00 19.45 18.20 1b77 n ALA 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b77 h VAL 34 N 0.34 1.15 -0.20 0.00 2.07 -1.92 -1.00 116.25 116.70 1b77 h VAL 34 Ca -0.50 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1b77 h VAL 34 Cb 1.35 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1b77 h VAL 34 CO 0.51 0.19 0.00 -0.46 0.02 0.00 0.00 177.57 177.83 1b77 n ASN 35 N -4.35 1.10 0.00 0.57 0.23 -1.26 -4.91 115.26 106.64 1b77 n ASN 35 Ca 0.00 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.08 1b77 n ASN 35 Cb 0.20 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1b77 n ASN 35 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1b77 n GLY 36 N 0.84 0.44 0.24 4.83 0.00 -0.38 -4.90 105.19 106.26 1b77 n GLY 36 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1b77 n GLY 36 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1b77 h THR 37 N 0.00 1.26 -4.20 2.61 1.35 -1.91 -3.44 112.91 108.58 1b77 h THR 37 Ca 0.00 -1.01 -0.48 0.00 -0.55 0.00 0.00 66.41 64.37 1b77 h THR 37 Cb 0.03 1.01 -0.29 0.00 -1.73 0.00 0.00 68.15 67.17 1b77 h THR 37 CO 0.00 0.35 -0.81 0.28 -0.25 0.00 0.00 175.52 175.09 1b77 s THR 38 N -5.06 1.11 0.10 6.82 -1.32 -1.26 -1.31 115.64 114.71 1b77 s THR 38 Ca -0.13 -0.60 0.09 0.00 -1.21 0.00 0.00 61.69 59.84 1b77 s THR 38 Cb 0.11 -0.92 -0.03 0.00 -1.51 0.00 0.00 72.50 70.14 1b77 s THR 38 CO 0.80 0.31 -0.22 -0.47 -2.21 0.00 0.00 174.62 172.84 1b77 s TYR 39 N -0.32 1.91 -0.07 9.09 5.04 0.22 -0.77 117.35 132.45 1b77 s TYR 39 Ca 0.05 -0.40 -0.11 0.00 -2.44 0.00 0.00 57.07 54.17 1b77 s TYR 39 Cb -0.06 -1.06 0.02 0.00 0.35 0.00 0.00 41.96 41.22 1b77 s TYR 39 CO -0.00 0.22 0.28 0.00 -1.34 0.00 0.00 175.55 174.70 1b77 s ALA 40 N -1.09 -0.70 0.08 3.97 0.00 -0.54 -1.11 121.76 122.37 1b77 s ALA 40 Ca 0.08 0.60 -0.07 0.00 0.00 0.00 0.00 51.96 52.57 1b77 s ALA 40 Cb -0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1b77 s ALA 40 CO 0.04 -0.18 0.14 -1.83 0.00 0.00 0.00 175.76 173.93 1b77 s GLU 41 N -0.39 0.77 -0.15 0.00 -1.05 -0.12 -0.94 118.70 116.82 1b77 s GLU 41 Ca -0.05 -1.00 -0.29 0.00 -0.15 0.00 0.00 54.97 53.48 1b77 s GLU 41 Cb -0.03 0.31 0.09 0.00 -0.44 0.00 0.00 34.13 34.05 1b77 s GLU 41 CO 0.02 -0.22 0.81 0.00 0.95 0.00 0.00 175.26 176.81 1b77 s ALA 42 N -3.78 -1.84 -0.25 -0.84 0.00 0.22 -1.18 121.76 114.10 1b77 s ALA 42 Ca 0.05 1.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.49 1b77 s ALA 42 Cb 0.05 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 1b77 s ALA 42 CO -0.10 -0.33 0.20 -0.80 0.00 0.00 0.00 175.76 174.72 1b77 s ASN 43 N -0.68 6.13 0.35 0.00 0.01 -1.26 -1.04 114.94 118.46 1b77 s ASN 43 Ca -0.05 0.13 0.08 0.00 -0.71 0.00 0.00 52.86 52.31 1b77 s ASN 43 Cb -0.02 -2.12 -0.03 0.00 0.41 0.00 0.00 41.25 39.48 1b77 s ASN 43 CO 0.04 0.02 0.23 0.27 -1.51 0.00 0.00 177.10 176.15 1b77 s ILE 44 N 1.27 3.20 -0.75 0.60 -4.36 -0.05 -4.99 121.20 116.11 1b77 s ILE 44 Ca 0.09 -1.52 0.25 0.00 -0.26 0.00 0.00 60.65 59.20 1b77 s ILE 44 Cb -0.14 -3.07 0.05 0.00 1.25 0.00 0.00 42.46 40.55 1b77 s ILE 44 CO 0.06 -0.16 1.39 -1.54 0.24 0.00 0.00 174.94 174.93 1b77 n SER 45 N -1.28 0.61 -4.80 4.36 3.41 -1.26 -4.78 113.62 109.88 1b77 n SER 45 Ca -0.02 0.06 -0.38 0.00 -0.26 0.00 0.00 58.87 58.27 1b77 n SER 45 Cb 0.61 0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.62 1b77 n SER 45 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1b77 s ASP 46 N -3.87 6.89 -0.23 4.04 1.01 -1.26 -5.06 116.67 118.19 1b77 s ASP 46 Ca 0.08 1.05 -0.18 0.00 0.71 0.00 0.00 52.55 54.21 1b77 s ASP 46 Cb 0.15 -2.30 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 1b77 s ASP 46 CO 0.70 0.23 0.53 -0.70 0.21 0.00 0.00 175.17 176.14 1b77 s GLU 47 N -0.69 4.12 -0.45 8.23 2.12 -1.26 -4.52 118.70 126.25 1b77 s GLU 47 Ca 0.26 0.38 -0.27 0.00 0.36 0.00 0.00 54.97 55.71 1b77 s GLU 47 Cb -0.17 -3.61 0.03 0.00 0.26 0.00 0.00 34.13 30.63 1b77 s GLU 47 CO 0.15 -0.27 1.02 0.42 -0.54 0.00 0.00 175.26 176.04 1b77 s ILE 48 N 2.04 4.37 -2.33 -3.70 1.01 0.12 -4.56 121.20 118.16 1b77 s ILE 48 Ca 0.23 1.03 0.21 0.00 0.00 0.00 0.00 60.65 62.12 1b77 s ILE 48 Cb -0.16 -4.50 0.45 0.00 0.01 0.00 0.00 42.46 38.27 1b77 s ILE 48 CO 0.09 -0.87 1.45 -0.90 0.00 0.00 0.00 174.94 174.71 1b77 n ASP 49 N 7.41 2.89 -3.55 3.58 5.68 -1.26 -1.55 116.55 129.75 1b77 n ASP 49 Ca 0.09 -1.92 -0.14 0.00 -0.50 0.00 0.00 54.79 52.32 1b77 n ASP 49 Cb 0.49 -0.24 -0.05 0.00 -1.14 0.00 0.00 41.12 40.18 1b77 n ASP 49 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1b77 s PHE 50 N -1.52 -0.48 0.01 2.11 -0.71 -1.26 -4.98 117.98 111.15 1b77 s PHE 50 Ca 0.37 0.56 -0.18 0.00 -1.04 0.00 0.00 56.93 56.64 1b77 s PHE 50 Cb 0.21 0.38 -0.06 0.00 -1.21 0.00 0.00 43.02 42.34 1b77 s PHE 50 CO 0.29 -0.66 0.51 -0.51 -1.34 0.00 0.00 175.22 173.51 1b77 s ASP 51 N -1.94 6.91 -0.19 1.98 1.11 -1.26 -4.36 116.67 118.93 1b77 s ASP 51 Ca -0.05 1.08 -0.23 0.00 0.18 0.00 0.00 52.55 53.53 1b77 s ASP 51 Cb -0.01 -2.32 0.06 0.00 1.07 0.00 0.00 42.92 41.73 1b77 s ASP 51 CO -0.01 0.22 0.63 0.68 1.18 0.00 0.00 175.17 177.86 1b77 s VAL 52 N -0.67 0.00 -0.08 -1.27 -7.23 -0.72 -5.02 120.40 105.41 1b77 s VAL 52 Ca 0.27 -0.03 -0.04 0.00 -1.81 0.00 0.00 61.98 60.38 1b77 s VAL 52 Cb -0.18 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1b77 s VAL 52 CO 0.16 -0.01 0.07 0.00 -0.31 0.00 0.00 175.10 175.00 1b77 s ALA 53 N -0.05 3.57 -0.13 1.32 0.00 -1.26 -0.74 121.76 124.47 1b77 s ALA 53 Ca -0.03 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1b77 s ALA 53 Cb -0.04 -1.69 -0.00 0.00 0.00 0.00 0.00 23.12 21.39 1b77 s ALA 53 CO 0.03 0.62 -0.18 -0.51 0.00 0.00 0.00 175.76 175.71 1b77 s LEU 54 N -1.11 2.34 0.10 0.00 1.43 0.92 -1.25 118.68 121.13 1b77 s LEU 54 Ca 0.16 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 1b77 s LEU 54 Cb -0.12 -1.51 -0.17 0.00 0.03 0.00 0.00 46.19 44.43 1b77 s LEU 54 CO 0.05 0.11 1.24 0.22 0.23 0.00 0.00 176.35 178.20 1b77 h TYR 55 N 7.07 0.75 -2.74 0.29 3.20 -1.85 -0.85 116.97 122.83 1b77 h TYR 55 Ca -0.28 -0.43 -0.60 0.00 3.14 0.00 0.00 58.73 60.55 1b77 h TYR 55 Cb 1.21 -0.08 -0.40 0.00 1.54 0.00 0.00 36.73 39.00 1b77 h TYR 55 CO 0.49 1.26 -0.78 0.34 -1.64 0.00 0.00 178.16 177.83 1b77 s ASP 56 N -7.18 3.09 0.24 -2.11 -1.08 -1.25 -3.64 116.67 104.73 1b77 s ASP 56 Ca -0.07 -3.25 -0.06 0.00 -0.52 0.00 0.00 52.55 48.65 1b77 s ASP 56 Cb 0.08 -0.97 0.35 0.00 -1.46 0.00 0.00 42.92 40.91 1b77 s ASP 56 CO 0.89 -0.16 1.82 0.25 0.52 0.00 0.00 175.17 178.49 1b77 h LEU 57 N 5.78 0.68 -0.74 -1.34 5.85 -1.23 -2.44 115.31 121.87 1b77 h LEU 57 Ca 0.17 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1b77 h LEU 57 Cb 0.86 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1b77 h LEU 57 CO 0.51 0.41 0.37 -1.13 -0.34 0.00 0.00 178.44 178.27 1b77 h ASN 58 N 0.81 0.96 0.06 1.25 -1.24 -1.91 -0.94 115.58 114.58 1b77 h ASN 58 Ca 0.37 -0.12 -0.13 0.00 0.71 0.00 0.00 56.30 57.13 1b77 h ASN 58 Cb 0.28 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 1b77 h ASN 58 CO -0.22 0.81 -0.43 0.28 -1.29 0.00 0.00 177.43 176.59 1b77 h SER 59 N 1.04 0.49 0.32 1.15 0.02 -1.90 -2.14 113.55 112.53 1b77 h SER 59 Ca 0.26 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1b77 h SER 59 Cb 0.10 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1b77 h SER 59 CO -0.03 0.86 -0.16 0.15 -1.14 0.00 0.00 176.83 176.51 1b77 h PHE 60 N 0.37 -0.40 -0.77 3.45 3.57 -0.97 -2.35 116.94 119.84 1b77 h PHE 60 Ca 0.03 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.61 1b77 h PHE 60 Cb 0.91 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.71 1b77 h PHE 60 CO 0.03 -0.19 0.42 -0.07 -2.23 0.00 0.00 178.31 176.27 1b77 h LEU 61 N -0.52 0.59 -1.30 0.59 3.38 -1.11 -1.56 115.31 115.37 1b77 h LEU 61 Ca -0.04 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1b77 h LEU 61 Cb 0.39 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1b77 h LEU 61 CO 0.07 0.34 0.15 0.28 0.09 0.00 0.00 178.44 179.38 1b77 h SER 62 N 0.71 0.58 -0.38 -0.43 0.02 -1.23 -1.93 113.55 110.90 1b77 h SER 62 Ca 0.37 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1b77 h SER 62 Cb 0.35 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1b77 h SER 62 CO -0.25 0.54 0.13 0.40 -1.14 0.00 0.00 176.83 176.52 1b77 h ILE 63 N 0.63 1.19 0.00 3.27 1.08 -0.74 -2.37 117.51 120.56 1b77 h ILE 63 Ca 0.15 -0.64 -0.04 0.00 -0.39 0.00 0.00 64.86 63.95 1b77 h ILE 63 Cb 0.16 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 1b77 h ILE 63 CO -0.01 0.24 -0.17 -0.07 -0.69 0.00 0.00 178.15 177.44 1b77 h LEU 64 N 0.64 0.00 0.00 1.44 3.38 -1.04 -1.65 115.31 118.08 1b77 h LEU 64 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1b77 h LEU 64 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1b77 h LEU 64 CO -0.01 0.17 0.00 -1.54 0.09 0.00 0.00 178.44 177.15 1b77 n SER 65 N -3.90 0.00 -0.44 -0.43 3.41 -0.89 -2.55 113.62 108.81 1b77 n SER 65 Ca -0.02 -0.07 0.11 0.00 -0.26 0.00 0.00 58.87 58.64 1b77 n SER 65 Cb 0.26 -0.27 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1b77 n SER 65 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b77 n LEU 66 N -1.27 1.86 -4.59 1.04 4.77 -0.62 -4.96 117.00 113.24 1b77 n LEU 66 Ca 0.11 -0.69 -0.27 0.00 -0.03 0.00 0.00 56.01 55.13 1b77 n LEU 66 Cb 0.17 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 1b77 n LEU 66 CO 0.16 0.35 -0.28 0.68 -1.33 0.00 0.00 177.39 176.97 1b77 s VAL 67 N -2.51 1.70 0.67 4.08 -7.23 -1.06 -5.12 120.40 110.94 1b77 s VAL 67 Ca 0.18 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.19 1b77 s VAL 67 Cb 0.18 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1b77 s VAL 67 CO 0.58 0.00 0.84 -0.24 -0.31 0.00 0.00 175.10 175.97 1b77 n SER 68 N -0.95 0.09 0.25 4.85 2.88 -1.26 -4.87 113.62 114.61 1b77 n SER 68 Ca -0.06 0.70 0.16 0.00 -1.33 0.00 0.00 58.87 58.34 1b77 n SER 68 Cb 0.67 -1.34 0.70 0.00 -0.75 0.00 0.00 64.21 63.48 1b77 n SER 68 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1b77 h ASP 69 N -0.03 0.00 -0.57 -3.46 3.32 -1.96 -2.73 116.42 110.99 1b77 h ASP 69 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1b77 h ASP 69 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1b77 h ASP 69 CO 0.47 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.46 1b77 n ASP 70 N -2.85 4.13 -4.61 6.45 8.00 -1.26 -4.71 116.55 121.69 1b77 n ASP 70 Ca 0.00 -2.31 -0.43 0.00 0.71 0.00 0.00 54.79 52.76 1b77 n ASP 70 Cb 0.25 -0.48 -0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1b77 n ASP 70 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b77 n ALA 71 N 0.96 0.17 -2.69 2.24 0.00 -1.03 -4.93 120.51 115.22 1b77 n ALA 71 Ca 0.22 0.33 -0.39 0.00 0.00 0.00 0.00 53.44 53.60 1b77 n ALA 71 Cb 0.74 -2.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 1b77 n ALA 71 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1b77 s GLU 72 N -1.77 4.27 -0.17 0.00 2.56 -0.75 -4.64 118.70 118.21 1b77 s GLU 72 Ca 0.59 0.49 -0.06 0.00 0.00 0.00 0.00 54.97 55.99 1b77 s GLU 72 Cb -0.63 -3.51 -0.04 0.00 2.00 0.00 0.00 34.13 31.96 1b77 s GLU 72 CO 0.59 -0.02 0.03 0.42 -0.56 0.00 0.00 175.26 175.72 1b77 s ILE 73 N 1.21 4.52 0.34 -3.70 1.01 -0.10 -0.34 121.20 124.13 1b77 s ILE 73 Ca 0.26 -0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.65 1b77 s ILE 73 Cb -0.16 -3.01 0.03 0.00 0.01 0.00 0.00 42.46 39.33 1b77 s ILE 73 CO 0.11 0.48 0.67 -0.94 0.00 0.00 0.00 174.94 175.26 1b77 s SER 74 N 0.27 0.16 -0.19 3.58 1.04 0.12 -0.86 113.70 117.81 1b77 s SER 74 Ca 0.02 -1.11 -0.26 0.00 0.48 0.00 0.00 55.95 55.07 1b77 s SER 74 Cb -0.13 0.76 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 1b77 s SER 74 CO 0.01 -1.48 0.89 -0.32 0.98 0.00 0.00 173.24 173.32 1b77 s MET 75 N -2.95 4.27 0.81 4.02 1.75 -1.26 0.29 119.30 126.23 1b77 s MET 75 Ca 0.19 1.10 -0.12 0.00 -1.25 0.00 0.00 55.69 55.61 1b77 s MET 75 Cb -0.04 -3.60 0.08 0.00 2.84 0.00 0.00 34.83 34.11 1b77 s MET 75 CO 0.12 -0.43 1.15 -1.58 -0.65 0.00 0.00 175.02 173.64 1b77 s HIS 76 N 2.50 2.94 0.38 4.11 2.46 0.21 -4.83 115.29 123.06 1b77 s HIS 76 Ca 0.40 0.85 0.38 0.00 0.47 0.00 0.00 55.06 57.16 1b77 s HIS 76 Cb -0.16 -3.37 1.86 0.00 -0.13 0.00 0.00 32.58 30.77 1b77 s HIS 76 CO 0.10 -1.77 2.17 1.79 -2.47 0.00 0.00 174.74 174.56 1b77 h THR 77 N -1.06 0.04 -0.21 0.89 1.35 -1.97 -2.23 112.91 109.73 1b77 h THR 77 Ca -0.47 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1b77 h THR 77 Cb 1.31 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1b77 h THR 77 CO 0.64 0.01 0.00 -0.90 -0.25 0.00 0.00 175.52 175.02 1b77 n ASP 78 N -3.13 1.70 0.00 5.36 5.75 -1.26 -4.89 116.55 120.08 1b77 n ASP 78 Ca -0.01 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 1b77 n ASP 78 Cb 0.20 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1b77 n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b77 n GLY 79 N 1.11 0.99 1.13 6.12 0.00 -0.84 -5.05 105.19 108.66 1b77 n GLY 79 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 1b77 n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b77 n ASN 80 N 0.00 0.51 -4.86 1.61 5.03 -1.26 -4.62 115.26 111.67 1b77 n ASN 80 Ca 0.00 -1.39 -0.37 0.00 0.87 0.00 0.00 54.58 53.69 1b77 n ASN 80 Cb 0.00 -0.15 -0.06 0.00 -1.02 0.00 0.00 39.78 38.55 1b77 n ASN 80 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1b77 s ILE 81 N -0.37 5.33 -0.09 2.41 1.01 0.83 0.67 121.20 131.00 1b77 s ILE 81 Ca 0.18 0.44 0.04 0.00 0.00 0.00 0.00 60.65 61.32 1b77 s ILE 81 Cb -0.01 -3.52 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 1b77 s ILE 81 CO 0.12 0.60 -0.24 -0.75 0.00 0.00 0.00 174.94 174.67 1b77 s LYS 82 N -1.07 2.90 -0.34 2.79 2.20 0.14 -0.71 119.74 125.66 1b77 s LYS 82 Ca 0.19 -0.87 0.03 0.00 -0.36 0.00 0.00 55.97 54.96 1b77 s LYS 82 Cb -0.14 -2.28 0.10 0.00 -1.51 0.00 0.00 37.83 34.00 1b77 s LYS 82 CO 0.08 0.26 0.04 0.42 -0.36 0.00 0.00 175.35 175.79 1b77 s ILE 83 N 0.16 2.33 -0.42 5.43 1.01 0.41 -0.70 121.20 129.41 1b77 s ILE 83 Ca -0.13 -2.26 -0.24 0.00 0.00 0.00 0.00 60.65 58.03 1b77 s ILE 83 Cb -0.16 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.64 1b77 s ILE 83 CO 0.07 -0.55 0.81 0.00 0.00 0.00 0.00 174.94 175.27 1b77 s ALA 84 N 0.93 3.33 0.64 9.38 0.00 0.54 -1.03 121.76 135.54 1b77 s ALA 84 Ca 0.09 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1b77 s ALA 84 Cb -0.19 -3.47 0.11 0.00 0.00 0.00 0.00 23.12 19.57 1b77 s ALA 84 CO -0.07 -1.80 0.82 -3.47 0.00 0.00 0.00 175.76 171.24 1b77 n ASP 85 N 6.70 1.42 0.18 0.00 2.03 0.18 -1.81 116.55 125.24 1b77 n ASP 85 Ca 0.03 -2.12 -0.14 0.00 0.52 0.00 0.00 54.79 53.08 1b77 n ASP 85 Cb 0.48 -0.50 -0.07 0.00 -0.72 0.00 0.00 41.12 40.31 1b77 n ASP 85 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1b77 h THR 86 N -0.36 0.31 -0.09 5.18 2.02 -1.97 -3.30 112.91 114.71 1b77 h THR 86 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1b77 h THR 86 Cb 1.08 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1b77 h THR 86 CO 0.32 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.75 1b77 n ARG 87 N -5.43 2.14 -4.04 6.66 1.74 -1.26 -5.06 116.66 111.40 1b77 n ARG 87 Ca -0.08 -1.46 -0.12 0.00 -0.77 0.00 0.00 57.85 55.42 1b77 n ARG 87 Cb 0.34 -1.09 -0.04 0.00 -1.02 0.00 0.00 32.46 30.65 1b77 n ARG 87 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1b77 s SER 88 N -0.84 0.47 -0.02 0.55 1.04 -1.25 -5.17 113.70 108.49 1b77 s SER 88 Ca 0.07 -1.27 -0.00 0.00 0.48 0.00 0.00 55.95 55.22 1b77 s SER 88 Cb 0.04 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.82 1b77 s SER 88 CO 0.05 -1.26 0.03 -0.89 0.98 0.00 0.00 173.24 172.15 1b77 s THR 89 N -3.35 -0.04 -0.10 2.02 2.01 -1.26 0.50 115.64 115.42 1b77 s THR 89 Ca 0.27 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.41 1b77 s THR 89 Cb -0.01 -0.07 -0.02 0.00 0.01 0.00 0.00 72.50 72.41 1b77 s THR 89 CO 0.15 0.05 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.32 1b77 s VAL 90 N 0.66 3.12 -0.03 3.82 1.01 -0.20 -4.96 120.40 123.82 1b77 s VAL 90 Ca -0.05 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 1b77 s VAL 90 Cb -0.08 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1b77 s VAL 90 CO -0.02 0.55 0.02 -0.31 0.00 0.00 0.00 175.10 175.35 1b77 s TYR 91 N -0.13 3.17 -0.01 5.22 2.02 -1.26 -0.44 117.35 125.92 1b77 s TYR 91 Ca -0.01 0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.86 1b77 s TYR 91 Cb -0.14 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1b77 s TYR 91 CO 0.03 0.49 -0.03 -0.46 -1.57 0.00 0.00 175.55 174.02 1b77 s TRP 92 N -1.04 0.28 0.30 2.71 -0.11 0.11 -5.00 118.94 116.18 1b77 s TRP 92 Ca 0.18 -0.04 -0.29 0.00 1.22 0.00 0.00 56.10 57.17 1b77 s TRP 92 Cb -0.12 -0.21 -0.10 0.00 -1.50 0.00 0.00 33.47 31.54 1b77 s TRP 92 CO 0.08 -0.03 1.21 -1.25 -4.62 0.00 0.00 176.95 172.34 1b77 s PRO 93 N 0.11 4.50 -0.17 5.86 0.04 -1.26 -0.12 135.00 143.96 1b77 s PRO 93 Ca -0.01 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 62.86 1b77 s PRO 93 Cb -0.03 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1b77 s PRO 93 CO -0.00 -0.00 0.45 0.00 0.04 0.00 0.00 177.00 177.49 1b77 s ALA 94 N -1.05 3.52 0.53 8.56 0.00 -1.26 -4.76 121.76 127.30 1b77 s ALA 94 Ca 0.47 -0.35 -0.13 0.00 0.00 0.00 0.00 51.96 51.95 1b77 s ALA 94 Cb -0.36 -2.67 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 1b77 s ALA 94 CO 0.46 -0.19 0.95 0.00 0.00 0.00 0.00 175.76 176.98 1b77 s ALA 95 N 1.06 3.15 0.02 0.00 0.00 -0.38 -4.97 121.76 120.64 1b77 s ALA 95 Ca 0.23 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 1b77 s ALA 95 Cb -0.15 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1b77 s ALA 95 CO 0.09 -0.34 1.00 0.34 0.00 0.00 0.00 175.76 176.85 1b77 s ASP 96 N -3.49 7.35 0.57 0.00 2.15 -1.26 -4.43 116.67 117.56 1b77 s ASP 96 Ca 0.56 1.72 0.30 0.00 0.43 0.00 0.00 52.55 55.55 1b77 s ASP 96 Cb -0.10 -2.57 1.46 0.00 -0.30 0.00 0.00 42.92 41.40 1b77 s ASP 96 CO 0.39 -0.26 1.89 0.11 -0.17 0.00 0.00 175.17 177.13 1b77 h LYS 97 N 6.63 0.00 -0.01 4.34 1.57 -1.95 -0.76 116.57 126.40 1b77 h LYS 97 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1b77 h LYS 97 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1b77 h LYS 97 CO 0.75 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.50 1b77 n SER 98 N -3.96 0.10 -0.85 0.86 3.41 -1.26 -3.13 113.62 108.80 1b77 n SER 98 Ca 0.13 -1.27 0.10 0.00 -0.26 0.00 0.00 58.87 57.56 1b77 n SER 98 Cb 0.79 -0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.85 1b77 n SER 98 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b77 n THR 99 N -0.80 0.14 -4.30 6.66 -2.24 -0.29 -4.96 114.28 108.48 1b77 n THR 99 Ca 0.18 -0.57 -0.16 0.00 -2.27 0.00 0.00 64.05 61.23 1b77 n THR 99 Cb 0.10 1.29 -0.10 0.00 -2.10 0.00 0.00 70.33 69.52 1b77 n THR 99 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1b77 s ILE 100 N -1.58 1.00 -0.12 2.28 -4.36 -1.18 -5.04 121.20 112.20 1b77 s ILE 100 Ca 0.26 -2.03 -0.01 0.00 -0.26 0.00 0.00 60.65 58.61 1b77 s ILE 100 Cb 0.17 -2.22 -0.02 0.00 1.25 0.00 0.00 42.46 41.64 1b77 s ILE 100 CO 0.26 -0.42 -0.09 -0.69 0.24 0.00 0.00 174.94 174.23 1b77 s VAL 101 N -3.44 3.41 0.02 8.37 1.01 -1.26 -5.00 120.40 123.51 1b77 s VAL 101 Ca 0.26 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 1b77 s VAL 101 Cb 0.05 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 34.02 1b77 s VAL 101 CO 0.07 0.53 0.34 0.72 0.00 0.00 0.00 175.10 176.75 1b77 s PHE 102 N 0.07 -0.18 0.37 5.22 -0.12 -1.26 -4.74 117.98 117.34 1b77 s PHE 102 Ca -0.03 0.16 -0.27 0.00 -0.05 0.00 0.00 56.93 56.74 1b77 s PHE 102 Cb -0.14 0.13 -0.09 0.00 -0.63 0.00 0.00 43.02 42.28 1b77 s PHE 102 CO 0.04 -0.47 1.20 -2.14 -0.05 0.00 0.00 175.22 173.79 1b77 s PRO 103 N -2.02 4.20 0.16 1.99 0.02 -1.26 -4.92 135.00 133.17 1b77 s PRO 103 Ca -0.09 1.93 0.18 0.00 0.02 0.00 0.00 61.00 63.04 1b77 s PRO 103 Cb -0.02 -2.84 -0.04 0.00 0.02 0.00 0.00 34.50 31.61 1b77 s PRO 103 CO 0.00 -0.22 1.05 -0.91 -0.33 0.00 0.00 177.00 176.59 1b77 h ASN 104 N 2.98 0.00 -4.83 2.53 2.35 -2.02 -3.47 115.58 113.12 1b77 h ASN 104 Ca -0.48 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.13 1b77 h ASN 104 Cb 1.23 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.39 1b77 h ASN 104 CO 0.64 0.42 -0.37 -0.54 -1.65 0.00 0.00 177.43 175.93 1b77 s LYS 105 N -3.03 0.56 0.84 0.81 -0.14 -1.26 -5.16 119.74 112.36 1b77 s LYS 105 Ca -0.00 -0.19 -0.10 0.00 -1.36 0.00 0.00 55.97 54.32 1b77 s LYS 105 Cb 0.08 0.24 0.10 0.00 -1.68 0.00 0.00 37.83 36.58 1b77 s LYS 105 CO 0.79 -0.14 1.12 -1.25 -0.76 0.00 0.00 175.35 175.10 1b77 s PRO 106 N -1.15 1.64 -0.01 -1.68 0.04 -1.26 -4.97 135.00 127.61 1b77 s PRO 106 Ca -0.12 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 61.99 1b77 s PRO 106 Cb -0.06 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1b77 s PRO 106 CO 0.03 -2.13 0.82 0.42 0.04 0.00 0.00 177.00 176.18 1b77 s ILE 107 N -2.79 4.90 -0.59 0.56 -1.09 -1.26 -5.02 121.20 115.92 1b77 s ILE 107 Ca 0.64 1.72 -0.13 0.00 -2.23 0.00 0.00 60.65 60.65 1b77 s ILE 107 Cb -0.20 -4.16 0.15 0.00 -1.58 0.00 0.00 42.46 36.67 1b77 s ILE 107 CO 0.57 0.25 0.52 -1.10 -1.23 0.00 0.00 174.94 173.95 1b77 s GLN 108 N 0.67 2.99 0.17 2.79 -1.52 -1.26 -5.05 119.66 118.44 1b77 s GLN 108 Ca 0.43 -1.93 -0.30 0.00 -1.95 0.00 0.00 55.36 51.60 1b77 s GLN 108 Cb -0.20 -4.21 -0.08 0.00 -0.22 0.00 0.00 33.01 28.30 1b77 s GLN 108 CO 0.23 -1.28 1.34 0.12 -0.25 0.00 0.00 175.29 175.44 1b77 s PHE 109 N 1.14 3.25 0.92 0.91 5.36 -1.26 -5.00 117.98 123.30 1b77 s PHE 109 Ca 0.08 1.12 -0.11 0.00 -0.96 0.00 0.00 56.93 57.06 1b77 s PHE 109 Cb -0.24 -3.63 0.14 0.00 -0.34 0.00 0.00 43.02 38.95 1b77 s PHE 109 CO -0.01 -2.06 1.10 -1.25 -1.46 0.00 0.00 175.22 171.55 1b77 s PRO 110 N 0.34 1.05 0.24 10.12 0.04 -1.26 -4.90 135.00 140.63 1b77 s PRO 110 Ca 0.60 1.19 -0.31 0.00 0.04 0.00 0.00 61.00 62.51 1b77 s PRO 110 Cb -0.37 -1.76 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 1b77 s PRO 110 CO 0.35 -2.49 1.66 0.14 0.04 0.00 0.00 177.00 176.71 1b77 s VAL 111 N -2.74 2.08 0.52 -0.36 -7.23 -1.26 -4.91 120.40 106.50 1b77 s VAL 111 Ca 0.65 0.06 -0.22 0.00 -1.81 0.00 0.00 61.98 60.67 1b77 s VAL 111 Cb -0.21 -3.04 -0.06 0.00 0.56 0.00 0.00 36.38 33.64 1b77 s VAL 111 CO 0.58 0.01 1.26 0.00 -0.31 0.00 0.00 175.10 176.64 1b77 s ALA 112 N 0.71 2.83 0.00 1.32 0.00 -1.26 -4.94 121.76 120.42 1b77 s ALA 112 Ca 0.70 1.12 -0.10 0.00 0.00 0.00 0.00 51.96 53.69 1b77 s ALA 112 Cb -0.49 -3.48 -0.31 0.00 0.00 0.00 0.00 23.12 18.85 1b77 s ALA 112 CO 0.38 -1.07 0.86 0.77 0.00 0.00 0.00 175.76 176.71 1b77 h SER 113 N 1.57 0.60 -4.34 0.00 0.02 -0.94 -3.47 113.55 107.00 1b77 h SER 113 Ca -0.50 -0.77 -0.15 0.00 -0.84 0.00 0.00 61.79 59.53 1b77 h SER 113 Cb 1.28 -0.20 -0.23 0.00 0.14 0.00 0.00 62.40 63.39 1b77 h SER 113 CO 0.58 1.63 -0.39 0.68 -1.14 0.00 0.00 176.83 178.19 1b77 s VAL 114 N -2.60 0.03 -0.03 2.27 -7.23 -0.83 -5.03 120.40 106.97 1b77 s VAL 114 Ca -0.11 -0.25 0.05 0.00 -1.81 0.00 0.00 61.98 59.86 1b77 s VAL 114 Cb 0.06 -0.44 -0.01 0.00 0.56 0.00 0.00 36.38 36.54 1b77 s VAL 114 CO 0.88 -0.14 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.72 1b77 s ILE 115 N -0.52 1.54 0.00 -0.62 1.01 -1.26 -0.83 121.20 120.51 1b77 s ILE 115 Ca -0.06 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1b77 s ILE 115 Cb -0.04 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.13 1b77 s ILE 115 CO 0.02 0.44 0.00 1.07 0.00 0.00 0.00 174.94 176.46 1b77 n THR 116 N 2.91 0.00 -3.73 2.92 5.66 0.45 -5.00 114.28 117.48 1b77 n THR 116 Ca -0.17 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.74 1b77 n THR 116 Cb 0.53 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.27 1b77 n THR 116 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1b77 s GLU 117 N -1.25 1.40 -0.03 1.09 -1.05 -1.26 0.29 118.70 117.89 1b77 s GLU 117 Ca 0.00 -0.86 -0.01 0.00 -0.15 0.00 0.00 54.97 53.95 1b77 s GLU 117 Cb 0.00 0.53 0.03 0.00 -0.44 0.00 0.00 34.13 34.25 1b77 s GLU 117 CO 0.00 -0.60 0.06 -1.50 0.95 0.00 0.00 175.26 174.17 1b77 s ILE 118 N -3.87 -0.07 0.54 1.83 2.07 -0.08 -4.67 121.20 116.95 1b77 s ILE 118 Ca 0.09 0.24 -0.18 0.00 -1.41 0.00 0.00 60.65 59.39 1b77 s ILE 118 Cb -0.01 -0.12 -0.06 0.00 0.13 0.00 0.00 42.46 42.40 1b77 s ILE 118 CO -0.03 0.10 1.06 -0.54 -1.91 0.00 0.00 174.94 173.62 1b77 s LYS 119 N 1.26 3.51 0.25 3.50 -0.14 -1.26 -1.29 119.74 125.56 1b77 s LYS 119 Ca -0.07 1.33 -0.03 0.00 -1.36 0.00 0.00 55.97 55.84 1b77 s LYS 119 Cb -0.13 -2.05 0.45 0.00 -1.68 0.00 0.00 37.83 34.42 1b77 s LYS 119 CO -0.04 -0.67 1.78 0.00 -0.76 0.00 0.00 175.35 175.66 1b77 h ALA 120 N 1.00 1.17 -0.73 5.17 0.00 -1.88 -0.19 119.26 123.80 1b77 h ALA 120 Ca -0.48 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1b77 h ALA 120 Cb 1.23 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1b77 h ALA 120 CO 0.58 -0.03 0.21 1.49 0.00 0.00 0.00 179.25 181.50 1b77 h GLU 121 N 0.66 1.15 -0.24 0.00 4.81 -1.93 -1.42 114.58 117.61 1b77 h GLU 121 Ca 0.42 -0.26 -0.20 0.00 -0.13 0.00 0.00 59.36 59.19 1b77 h GLU 121 Cb 0.50 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1b77 h GLU 121 CO -0.31 0.99 -0.63 -0.44 -0.73 0.00 0.00 179.01 177.89 1b77 h ASP 122 N 1.10 0.96 -0.59 1.04 3.32 -1.72 -2.39 116.42 118.13 1b77 h ASP 122 Ca 0.23 -0.56 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 1b77 h ASP 122 Cb 0.34 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1b77 h ASP 122 CO -0.00 1.36 0.25 0.25 -1.72 0.00 0.00 179.24 179.37 1b77 h LEU 123 N 0.62 0.80 -0.49 1.55 5.85 -0.96 -0.40 115.31 122.28 1b77 h LEU 123 Ca -0.01 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1b77 h LEU 123 Cb 1.25 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1b77 h LEU 123 CO 0.14 0.74 0.20 -0.61 -0.34 0.00 0.00 178.44 178.57 1b77 h GLN 124 N 0.81 0.38 -0.44 1.25 4.15 -1.19 -0.58 115.11 119.50 1b77 h GLN 124 Ca 0.20 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.53 1b77 h GLN 124 Cb 0.18 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1b77 h GLN 124 CO -0.02 0.25 0.03 0.37 -1.93 0.00 0.00 178.83 177.53 1b77 h GLN 125 N 0.39 0.75 0.00 1.69 4.15 -0.99 -1.10 115.11 120.01 1b77 h GLN 125 Ca 0.23 -0.23 0.03 0.00 0.77 0.00 0.00 58.65 59.46 1b77 h GLN 125 Cb 0.22 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.78 1b77 h GLN 125 CO -0.21 0.81 -0.31 1.25 -1.93 0.00 0.00 178.83 178.43 1b77 h LEU 126 N 0.60 -0.93 -0.10 -2.39 5.85 -0.42 0.29 115.31 118.21 1b77 h LEU 126 Ca 0.13 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1b77 h LEU 126 Cb 0.45 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1b77 h LEU 126 CO 0.02 -0.38 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.62 1b77 h LEU 127 N -0.46 -0.16 0.15 2.25 3.38 -1.06 -1.48 115.31 117.93 1b77 h LEU 127 Ca 0.06 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1b77 h LEU 127 Cb 0.55 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1b77 h LEU 127 CO -0.26 -0.07 -0.07 0.03 0.09 0.00 0.00 178.44 178.16 1b77 h ARG 128 N -0.04 -0.20 -0.67 1.13 2.47 -0.91 -3.13 114.38 113.04 1b77 h ARG 128 Ca 0.06 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1b77 h ARG 128 Cb 0.12 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 1b77 h ARG 128 CO -0.13 -0.08 0.44 0.28 0.56 0.00 0.00 179.97 181.04 1b77 h VAL 129 N -0.27 1.18 -0.74 2.04 2.07 -0.37 -2.78 116.25 117.37 1b77 h VAL 129 Ca -0.02 -0.33 0.16 0.00 0.82 0.00 0.00 66.70 67.33 1b77 h VAL 129 Cb 0.21 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 30.07 1b77 h VAL 129 CO 0.03 0.17 0.18 0.28 0.02 0.00 0.00 177.57 178.26 1b77 h SER 130 N 0.91 0.02 -0.32 0.57 0.02 -1.22 0.31 113.55 113.84 1b77 h SER 130 Ca 0.24 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 1b77 h SER 130 Cb -0.09 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1b77 h SER 130 CO -0.05 -0.04 0.14 0.03 -1.14 0.00 0.00 176.83 175.77 1b77 h ARG 131 N 0.27 0.47 0.00 3.45 3.08 -1.45 0.18 114.38 120.38 1b77 h ARG 131 Ca 0.42 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.37 1b77 h ARG 131 Cb 0.72 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1b77 h ARG 131 CO -0.51 0.45 -0.13 0.78 -1.07 0.00 0.00 179.97 179.49 1b77 h GLY 132 N 0.37 0.00 -1.37 0.04 0.00 -0.99 -3.16 103.07 97.96 1b77 h GLY 132 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1b77 h GLY 132 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.57 1b77 n LEU 133 N -3.31 2.61 -3.43 3.11 4.77 -0.05 -4.99 117.00 115.71 1b77 n LEU 133 Ca 0.00 -1.39 -0.17 0.00 -0.03 0.00 0.00 56.01 54.42 1b77 n LEU 133 Cb 0.36 -0.12 0.09 0.00 -2.33 0.00 0.00 43.42 41.42 1b77 n LEU 133 CO 0.30 0.56 0.11 0.00 -1.33 0.00 0.00 177.39 177.04 1b77 n GLN 134 N 0.83 -6.66 -3.22 3.23 6.02 -0.40 -4.94 117.38 112.24 1b77 n GLN 134 Ca 0.11 0.85 -0.41 0.00 -0.01 0.00 0.00 57.00 57.54 1b77 n GLN 134 Cb 0.41 -5.87 -0.08 0.00 1.02 0.00 0.00 30.24 25.73 1b77 n GLN 134 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1b77 s ILE 135 N -3.36 5.01 -1.54 5.09 1.01 -0.08 -4.46 121.20 122.86 1b77 s ILE 135 Ca 0.01 0.53 0.15 0.00 0.00 0.00 0.00 60.65 61.34 1b77 s ILE 135 Cb -0.01 -3.95 0.04 0.00 0.01 0.00 0.00 42.46 38.55 1b77 s ILE 135 CO 0.73 -0.15 0.87 -0.90 0.00 0.00 0.00 174.94 175.48 1b77 n ASP 136 N 5.75 1.78 -3.76 3.58 5.68 -0.61 -4.77 116.55 124.20 1b77 n ASP 136 Ca -0.04 -1.39 -0.13 0.00 -0.50 0.00 0.00 54.79 52.73 1b77 n ASP 136 Cb 0.49 0.31 -0.10 0.00 -1.14 0.00 0.00 41.12 40.68 1b77 n ASP 136 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1b77 s THR 137 N -1.61 0.02 0.12 2.12 2.01 -0.93 -1.69 115.64 115.67 1b77 s THR 137 Ca 0.14 -0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.08 1b77 s THR 137 Cb 0.12 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 1b77 s THR 137 CO 0.31 -0.07 -0.15 0.27 -0.69 0.00 0.00 174.62 174.29 1b77 s ILE 138 N -0.22 1.40 -0.06 1.82 -4.36 -0.34 0.68 121.20 120.11 1b77 s ILE 138 Ca -0.04 -1.66 0.02 0.00 -0.26 0.00 0.00 60.65 58.71 1b77 s ILE 138 Cb -0.03 -1.50 0.02 0.00 1.25 0.00 0.00 42.46 42.19 1b77 s ILE 138 CO 0.01 -0.33 -0.09 0.00 0.24 0.00 0.00 174.94 174.77 1b77 s ALA 139 N -1.88 1.05 -0.26 2.27 0.00 0.17 -0.56 121.76 122.55 1b77 s ALA 139 Ca 0.08 -0.29 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 1b77 s ALA 139 Cb -0.06 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1b77 s ALA 139 CO 0.03 0.06 0.11 0.42 0.00 0.00 0.00 175.76 176.38 1b77 s ILE 140 N 0.78 4.67 0.14 0.00 1.01 -0.24 -0.77 121.20 126.78 1b77 s ILE 140 Ca -0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 1b77 s ILE 140 Cb -0.15 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 1b77 s ILE 140 CO 0.02 0.30 0.11 0.28 0.00 0.00 0.00 174.94 175.65 1b77 s THR 141 N 1.67 0.10 -0.13 2.92 -1.32 0.14 -1.39 115.64 117.62 1b77 s THR 141 Ca 0.07 -1.79 -0.19 0.00 -1.21 0.00 0.00 61.69 58.57 1b77 s THR 141 Cb -0.15 -1.99 -0.04 0.00 -1.51 0.00 0.00 72.50 68.81 1b77 s THR 141 CO 0.06 -0.43 0.53 0.54 -2.21 0.00 0.00 174.62 173.11 1b77 s ASN 142 N -3.03 6.71 -0.13 8.08 4.22 -1.23 -0.33 114.94 129.23 1b77 s ASN 142 Ca 0.22 0.85 -0.05 0.00 -2.14 0.00 0.00 52.86 51.74 1b77 s ASN 142 Cb 0.06 -2.31 0.06 0.00 1.28 0.00 0.00 41.25 40.35 1b77 s ASN 142 CO 0.01 -0.07 0.28 -0.75 -2.04 0.00 0.00 177.10 174.53 1b77 s LYS 143 N 0.95 0.18 -1.35 3.55 2.20 0.18 -4.91 119.74 120.54 1b77 s LYS 143 Ca 0.28 0.75 -0.08 0.00 -0.36 0.00 0.00 55.97 56.56 1b77 s LYS 143 Cb -0.16 -0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 1b77 s LYS 143 CO 0.11 -0.26 0.48 -0.25 -0.36 0.00 0.00 175.35 175.07 1b77 n ASP 144 N 5.16 -1.57 -0.05 1.43 8.00 -1.26 -1.31 116.55 126.95 1b77 n ASP 144 Ca -0.10 -1.07 -0.01 0.00 0.71 0.00 0.00 54.79 54.33 1b77 n ASP 144 Cb 0.50 -2.84 -0.00 0.00 -0.02 0.00 0.00 41.12 38.76 1b77 n ASP 144 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b77 n GLY 145 N -2.00 0.45 3.15 0.44 0.00 -1.26 -4.99 105.19 100.99 1b77 n GLY 145 Ca -0.25 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 1b77 n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b77 s LYS 146 N -0.71 0.93 -0.21 1.61 1.02 -0.43 0.89 119.74 122.85 1b77 s LYS 146 Ca 0.00 -1.44 -0.07 0.00 0.02 0.00 0.00 55.97 54.48 1b77 s LYS 146 Cb 0.00 0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.47 1b77 s LYS 146 CO 0.00 -0.24 0.06 0.42 -0.92 0.00 0.00 175.35 174.67 1b77 s ILE 147 N -4.01 4.56 0.12 2.17 -1.09 0.53 0.51 121.20 123.99 1b77 s ILE 147 Ca 0.23 -0.10 0.03 0.00 -2.23 0.00 0.00 60.65 58.58 1b77 s ILE 147 Cb 0.07 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.83 1b77 s ILE 147 CO 0.01 0.41 -0.09 0.68 -1.23 0.00 0.00 174.94 174.73 1b77 s VAL 148 N 0.87 0.94 -0.15 2.92 -7.23 0.55 -0.26 120.40 118.03 1b77 s VAL 148 Ca 0.03 -1.90 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1b77 s VAL 148 Cb -0.14 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 1b77 s VAL 148 CO 0.02 -0.74 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.35 1b77 s ILE 149 N -3.18 3.29 -0.10 -0.62 1.01 0.08 -0.69 121.20 120.99 1b77 s ILE 149 Ca 0.12 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.21 1b77 s ILE 149 Cb 0.02 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 1b77 s ILE 149 CO -0.01 0.50 -0.11 0.20 0.00 0.00 0.00 174.94 175.51 1b77 s ASN 150 N 0.60 4.24 -0.13 3.58 0.01 0.05 -0.73 114.94 122.55 1b77 s ASN 150 Ca -0.06 -0.21 -0.06 0.00 -0.71 0.00 0.00 52.86 51.82 1b77 s ASN 150 Cb -0.15 -1.35 -0.04 0.00 0.41 0.00 0.00 41.25 40.12 1b77 s ASN 150 CO 0.03 0.25 0.08 -0.83 -1.51 0.00 0.00 177.10 175.12 1b77 s GLY 151 N -0.14 2.00 0.24 0.66 0.00 -0.37 -0.66 107.32 109.05 1b77 s GLY 151 Ca -0.00 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.03 1b77 s GLY 151 CO 0.03 -0.27 0.02 -0.19 0.00 0.00 0.00 173.10 172.70 1b77 s TYR 152 N -0.49 1.56 -0.42 1.90 1.51 0.21 -0.97 117.35 120.65 1b77 s TYR 152 Ca 0.11 -0.99 -0.01 0.00 -1.01 0.00 0.00 57.07 55.17 1b77 s TYR 152 Cb -0.12 -0.92 0.11 0.00 -0.11 0.00 0.00 41.96 40.93 1b77 s TYR 152 CO 0.02 -0.11 0.19 1.21 -1.11 0.00 0.00 175.55 175.75 1b77 s ASN 153 N -3.31 5.09 0.52 2.29 3.84 -1.26 -1.58 114.94 120.53 1b77 s ASN 153 Ca 0.30 -2.20 0.29 0.00 0.21 0.00 0.00 52.86 51.47 1b77 s ASN 153 Cb 0.06 -1.77 1.42 0.00 -0.55 0.00 0.00 41.25 40.41 1b77 s ASN 153 CO 0.10 -0.47 2.04 0.50 -2.79 0.00 0.00 177.10 176.47 1b77 h LYS 154 N 7.76 0.00 -0.77 0.43 3.64 -1.89 -1.51 116.57 124.22 1b77 h LYS 154 Ca -0.09 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1b77 h LYS 154 Cb 1.02 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 1b77 h LYS 154 CO 0.66 0.12 0.34 0.28 -2.27 0.00 0.00 179.45 178.57 1b77 h VAL 155 N 0.00 1.25 -0.01 2.00 2.07 -1.96 -2.40 116.25 117.19 1b77 h VAL 155 Ca -0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1b77 h VAL 155 Cb 0.42 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1b77 h VAL 155 CO 0.01 0.31 -0.33 -1.84 0.02 0.00 0.00 177.57 175.74 1b77 n GLU 156 N -4.30 1.66 -3.15 1.57 0.28 -1.15 -4.65 120.64 110.90 1b77 n GLU 156 Ca 0.07 -0.82 -0.20 0.00 -0.16 0.00 0.00 57.16 56.05 1b77 n GLU 156 Cb 0.16 -1.28 -0.04 0.00 1.43 0.00 0.00 31.44 31.71 1b77 n GLU 156 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1b77 n ASP 157 N -0.10 0.27 0.07 -1.84 2.03 -0.58 -4.98 116.55 111.41 1b77 n ASP 157 Ca 0.07 -2.91 0.15 0.00 0.52 0.00 0.00 54.79 52.62 1b77 n ASP 157 Cb 0.34 -0.43 0.65 0.00 -0.72 0.00 0.00 41.12 40.96 1b77 n ASP 157 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1b77 h SER 158 N 3.47 0.05 -0.01 1.67 4.64 -1.68 0.13 113.55 121.83 1b77 h SER 158 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1b77 h SER 158 Cb 0.94 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1b77 h SER 158 CO 0.46 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 1b77 n GLY 159 N -1.59 -0.82 3.63 -0.77 0.00 -1.26 -4.93 105.19 99.46 1b77 n GLY 159 Ca 0.06 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1b77 n GLY 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b77 n LEU 160 N -0.72 -3.13 -0.00 0.99 4.77 0.44 -4.93 117.00 114.42 1b77 n LEU 160 Ca 0.19 -0.95 0.01 0.00 -0.03 0.00 0.00 56.01 55.23 1b77 n LEU 160 Cb 0.13 -2.44 -0.01 0.00 -2.33 0.00 0.00 43.42 38.77 1b77 n LEU 160 CO 0.15 0.37 -0.19 1.07 -1.33 0.00 0.00 177.39 177.46 1b77 n THR 161 N -3.93 0.00 -3.88 -5.08 5.66 -1.26 -4.89 114.28 100.90 1b77 n THR 161 Ca -0.10 -0.31 -0.29 0.00 -3.05 0.00 0.00 64.05 60.30 1b77 n THR 161 Cb 0.59 0.81 -0.12 0.00 -1.55 0.00 0.00 70.33 70.06 1b77 n THR 161 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1b77 s ARG 162 N -1.50 2.51 0.24 1.09 0.52 -1.26 -5.09 118.95 115.47 1b77 s ARG 162 Ca 0.00 -3.28 -0.31 0.00 -0.52 0.00 0.00 55.73 51.62 1b77 s ARG 162 Cb 0.01 -3.48 -0.13 0.00 0.52 0.00 0.00 34.95 31.88 1b77 s ARG 162 CO 0.07 -1.27 1.51 -0.35 0.02 0.00 0.00 175.30 175.28 1b77 n PRO 163 N 2.11 2.32 0.00 3.54 -0.04 -1.26 -4.79 135.00 136.87 1b77 n PRO 163 Ca 0.19 0.83 0.09 0.00 -0.04 0.00 0.00 63.50 64.56 1b77 n PRO 163 Cb 0.35 -2.55 -0.10 0.00 -0.04 0.00 0.00 33.50 31.16 1b77 n PRO 163 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1b77 n LYS 164 N 2.38 0.86 -3.57 0.54 5.02 -0.14 -4.96 118.16 118.27 1b77 n LYS 164 Ca 0.12 -0.08 -0.15 0.00 -2.02 0.00 0.00 58.31 56.17 1b77 n LYS 164 Cb 0.33 -1.39 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 1b77 n LYS 164 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1b77 s TYR 165 N -2.73 -0.49 -0.17 2.13 5.04 -1.23 -4.97 117.35 114.94 1b77 s TYR 165 Ca 0.08 0.69 -0.09 0.00 -2.44 0.00 0.00 57.07 55.31 1b77 s TYR 165 Cb 0.14 0.34 0.06 0.00 0.35 0.00 0.00 41.96 42.86 1b77 s TYR 165 CO 0.75 -0.60 0.40 0.45 -1.34 0.00 0.00 175.55 175.21 1b77 s SER 166 N -1.61 -0.50 -0.06 4.32 0.15 -1.26 -1.24 113.70 113.50 1b77 s SER 166 Ca -0.08 0.88 0.03 0.00 0.70 0.00 0.00 55.95 57.47 1b77 s SER 166 Cb -0.01 0.77 0.01 0.00 -1.71 0.00 0.00 66.02 65.08 1b77 s SER 166 CO 0.03 -0.19 -0.13 -0.22 1.20 0.00 0.00 173.24 173.93 1b77 s LEU 167 N 1.43 1.71 -0.14 3.45 2.96 0.09 -4.98 118.68 123.20 1b77 s LEU 167 Ca -0.09 -0.31 -0.20 0.00 -0.22 0.00 0.00 54.13 53.30 1b77 s LEU 167 Cb -0.09 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 1b77 s LEU 167 CO -0.13 0.06 0.56 -0.89 -1.32 0.00 0.00 176.35 174.63 1b77 s THR 168 N 0.55 5.11 0.00 3.68 2.01 -1.26 -0.74 115.64 124.98 1b77 s THR 168 Ca -0.13 1.10 0.00 0.00 0.31 0.00 0.00 61.69 62.97 1b77 s THR 168 Cb -0.15 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.47 1b77 s THR 168 CO 0.04 0.23 0.00 0.18 -0.69 0.00 0.00 174.62 174.38 1b77 n LEU 169 N 4.22 0.12 -4.29 4.42 4.77 0.64 -5.00 117.00 121.88 1b77 n LEU 169 Ca -0.04 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.78 1b77 n LEU 169 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1b77 n LEU 169 CO 0.44 0.00 -0.40 0.42 -1.33 0.00 0.00 177.39 176.52 1b77 s THR 170 N 0.00 1.24 0.51 -5.08 -4.23 -1.23 -4.95 115.64 101.91 1b77 s THR 170 Ca 0.00 -2.08 -0.21 0.00 -1.18 0.00 0.00 61.69 58.22 1b77 s THR 170 Cb 0.00 -2.01 -0.06 0.00 1.34 0.00 0.00 72.50 71.77 1b77 s THR 170 CO 0.00 -0.62 1.20 -1.81 -0.54 0.00 0.00 174.62 172.85 1b77 s ASP 171 N -3.23 5.77 -0.05 3.99 1.01 -1.26 -0.34 116.67 122.55 1b77 s ASP 171 Ca 0.21 2.37 -0.02 0.00 0.71 0.00 0.00 52.55 55.82 1b77 s ASP 171 Cb 0.03 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.39 1b77 s ASP 171 CO 0.04 -1.20 0.09 -0.47 0.21 0.00 0.00 175.17 173.84 1b77 s TYR 172 N -1.55 -0.04 -0.33 4.23 5.04 0.26 -4.73 117.35 120.23 1b77 s TYR 172 Ca 0.69 0.35 0.09 0.00 -2.44 0.00 0.00 57.07 55.77 1b77 s TYR 172 Cb -0.30 -0.32 0.46 0.00 0.35 0.00 0.00 41.96 42.14 1b77 s TYR 172 CO 0.35 -0.19 1.14 -0.25 -1.34 0.00 0.00 175.55 175.26 1b77 n ASP 173 N 4.93 4.18 -4.97 4.32 8.00 -1.26 -4.01 116.55 127.74 1b77 n ASP 173 Ca -0.12 -3.44 -0.21 0.00 0.71 0.00 0.00 54.79 51.73 1b77 n ASP 173 Cb 0.50 -0.40 -0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1b77 n ASP 173 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1b77 s GLY 174 N -3.58 1.51 0.02 0.44 0.00 -1.26 -5.02 107.32 99.44 1b77 s GLY 174 Ca 0.45 -1.22 0.10 0.00 0.00 0.00 0.00 44.72 44.05 1b77 s GLY 174 CO -0.03 -1.12 0.91 1.48 0.00 0.00 0.00 173.10 174.34 1b77 h SER 175 N 0.72 0.01 -4.19 1.64 4.64 -2.04 -3.47 113.55 110.86 1b77 h SER 175 Ca -0.47 -0.02 -0.53 0.00 -0.47 0.00 0.00 61.79 60.30 1b77 h SER 175 Cb 1.25 -0.00 0.16 0.00 -0.31 0.00 0.00 62.40 63.50 1b77 h SER 175 CO 0.56 1.02 0.37 0.20 -0.87 0.00 0.00 176.83 178.11 1b77 s ASN 176 N -6.36 3.97 -0.02 4.97 0.01 -1.26 -5.05 114.94 111.20 1b77 s ASN 176 Ca -0.03 2.34 0.05 0.00 -0.71 0.00 0.00 52.86 54.51 1b77 s ASN 176 Cb 0.09 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.15 1b77 s ASN 176 CO 0.82 -2.41 -0.17 0.20 -1.51 0.00 0.00 177.10 174.03 1b77 s ASN 177 N -2.14 2.08 -0.01 -1.22 0.01 -1.26 -4.97 114.94 107.43 1b77 s ASN 177 Ca 0.73 -0.33 -0.25 0.00 -0.71 0.00 0.00 52.86 52.31 1b77 s ASN 177 Cb -0.28 -0.36 0.05 0.00 0.41 0.00 0.00 41.25 41.07 1b77 s ASN 177 CO 0.48 0.19 0.55 0.72 -1.51 0.00 0.00 177.10 177.53 1b77 s PHE 178 N -0.24 -0.49 -0.38 2.20 -0.12 -1.26 -2.30 117.98 115.40 1b77 s PHE 178 Ca 0.03 0.75 0.02 0.00 -0.05 0.00 0.00 56.93 57.67 1b77 s PHE 178 Cb -0.09 0.32 0.15 0.00 -0.63 0.00 0.00 43.02 42.78 1b77 s PHE 178 CO 0.00 -0.57 0.26 1.21 -0.05 0.00 0.00 175.22 176.07 1b77 s ASN 179 N -1.45 2.45 -0.35 1.98 2.47 0.34 -3.48 114.94 116.90 1b77 s ASN 179 Ca -0.10 -2.55 -0.25 0.00 0.42 0.00 0.00 52.86 50.38 1b77 s ASN 179 Cb -0.01 -0.46 0.01 0.00 -1.45 0.00 0.00 41.25 39.34 1b77 s ASN 179 CO 0.05 -0.25 0.85 -0.36 -3.72 0.00 0.00 177.10 173.67 1b77 s PHE 180 N 0.63 3.13 -0.13 0.43 0.08 -0.48 -1.88 117.98 119.75 1b77 s PHE 180 Ca 0.24 0.74 -0.17 0.00 0.12 0.00 0.00 56.93 57.86 1b77 s PHE 180 Cb -0.13 -3.46 -0.04 0.00 -0.57 0.00 0.00 43.02 38.82 1b77 s PHE 180 CO -0.07 -0.72 0.44 0.08 -0.10 0.00 0.00 175.22 174.85 1b77 s VAL 181 N 3.23 5.21 -0.02 -0.44 1.01 -1.26 -1.08 120.40 127.04 1b77 s VAL 181 Ca 0.35 0.87 0.05 0.00 0.00 0.00 0.00 61.98 63.25 1b77 s VAL 181 Cb -0.13 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1b77 s VAL 181 CO 0.16 0.33 -0.16 -0.63 0.00 0.00 0.00 175.10 174.79 1b77 s ILE 182 N 0.67 1.31 -0.16 2.22 1.01 0.28 -1.08 121.20 125.44 1b77 s ILE 182 Ca 0.24 -0.70 -0.28 0.00 0.00 0.00 0.00 60.65 59.91 1b77 s ILE 182 Cb -0.15 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 1b77 s ILE 182 CO 0.09 0.37 0.95 0.21 0.00 0.00 0.00 174.94 176.56 1b77 s ASN 183 N -0.32 7.10 0.56 3.58 3.84 -1.26 -1.20 114.94 127.24 1b77 s ASN 183 Ca 0.05 1.36 0.25 0.00 0.21 0.00 0.00 52.86 54.73 1b77 s ASN 183 Cb -0.07 -2.51 1.59 0.00 -0.55 0.00 0.00 41.25 39.70 1b77 s ASN 183 CO -0.00 -0.48 2.16 0.24 -2.79 0.00 0.00 177.10 176.23 1b77 h MET 184 N 7.26 0.00 0.00 0.43 2.86 -1.64 -1.32 114.93 122.52 1b77 h MET 184 Ca -0.28 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1b77 h MET 184 Cb 1.12 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 1b77 h MET 184 CO 0.88 0.00 -0.05 0.00 1.06 0.00 0.00 176.91 178.80 1b77 h ALA 185 N 1.92 1.20 -0.01 6.32 0.00 -1.92 -2.00 119.26 124.77 1b77 h ALA 185 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b77 h ALA 185 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1b77 h ALA 185 CO -0.00 0.06 -0.36 0.09 0.00 0.00 0.00 179.25 179.04 1b77 n ASN 186 N -3.43 1.04 -2.64 0.00 3.02 -0.50 -4.48 115.26 108.27 1b77 n ASN 186 Ca -0.02 -0.85 -0.26 0.00 -0.03 0.00 0.00 54.58 53.43 1b77 n ASN 186 Cb 0.17 0.23 -0.09 0.00 -0.61 0.00 0.00 39.78 39.48 1b77 n ASN 186 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1b77 n MET 187 N -0.77 2.87 -1.57 3.52 2.81 -0.75 -4.76 117.12 118.47 1b77 n MET 187 Ca 0.10 -1.82 -0.37 0.00 -1.81 0.00 0.00 57.70 53.81 1b77 n MET 187 Cb 0.36 -2.34 -0.03 0.00 -0.71 0.00 0.00 33.22 30.49 1b77 n MET 187 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1b77 n LYS 188 N 2.55 3.85 -3.35 0.03 5.02 -1.26 -4.93 118.16 120.08 1b77 n LYS 188 Ca 0.57 -2.62 -0.38 0.00 -2.02 0.00 0.00 58.31 53.86 1b77 n LYS 188 Cb 0.58 -2.63 -0.06 0.00 -0.02 0.00 0.00 35.03 32.90 1b77 n LYS 188 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1b77 s ILE 189 N 0.46 5.20 0.75 -0.18 1.01 -1.26 -4.97 121.20 122.21 1b77 s ILE 189 Ca 0.63 0.87 -0.11 0.00 0.00 0.00 0.00 60.65 62.04 1b77 s ILE 189 Cb 0.21 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.93 1b77 s ILE 189 CO -0.08 0.31 1.08 0.00 0.00 0.00 0.00 174.94 176.25 1b77 s GLN 190 N 0.81 2.50 0.48 2.79 -2.07 -1.26 -4.97 119.66 117.94 1b77 s GLN 190 Ca 0.24 1.08 -0.24 0.00 -1.82 0.00 0.00 55.36 54.62 1b77 s GLN 190 Cb -0.15 -1.93 -0.07 0.00 -1.09 0.00 0.00 33.01 29.77 1b77 s GLN 190 CO 0.09 -1.44 1.33 -1.25 -1.32 0.00 0.00 175.29 172.69 1b77 s PRO 191 N -4.96 3.55 0.00 9.60 0.04 -1.26 -4.93 135.00 137.03 1b77 s PRO 191 Ca 0.60 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.82 1b77 s PRO 191 Cb -0.16 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1b77 s PRO 191 CO 0.56 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1b77 n GLY 192 N 0.63 -1.76 3.65 0.56 0.00 -1.26 -5.10 105.19 101.90 1b77 n GLY 192 Ca 0.07 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 1b77 n GLY 192 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b77 s ASN 193 N -2.44 5.83 0.01 1.61 0.01 -1.26 -2.67 114.94 116.04 1b77 s ASN 193 Ca 0.00 0.10 0.07 0.00 -0.71 0.00 0.00 52.86 52.31 1b77 s ASN 193 Cb 0.00 -2.02 -0.02 0.00 0.41 0.00 0.00 41.25 39.62 1b77 s ASN 193 CO 0.00 0.13 -0.20 -0.31 -1.51 0.00 0.00 177.10 175.21 1b77 s TYR 194 N 0.64 1.79 -0.11 2.20 1.51 -0.41 -4.45 117.35 118.52 1b77 s TYR 194 Ca 0.05 -0.35 -0.22 0.00 -1.01 0.00 0.00 57.07 55.54 1b77 s TYR 194 Cb -0.13 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1b77 s TYR 194 CO 0.01 0.03 0.66 0.21 -1.11 0.00 0.00 175.55 175.35 1b77 s LYS 195 N -0.80 4.37 -0.26 -0.62 2.20 0.25 -0.90 119.74 123.98 1b77 s LYS 195 Ca 0.07 0.78 -0.06 0.00 -0.36 0.00 0.00 55.97 56.40 1b77 s LYS 195 Cb -0.08 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 1b77 s LYS 195 CO 0.00 -0.01 0.04 0.08 -0.36 0.00 0.00 175.35 175.11 1b77 s VAL 196 N 1.07 3.90 -0.27 4.02 1.01 0.15 -0.91 120.40 129.36 1b77 s VAL 196 Ca 0.34 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1b77 s VAL 196 Cb -0.17 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1b77 s VAL 196 CO 0.15 0.24 0.02 -0.04 0.00 0.00 0.00 175.10 175.47 1b77 s MET 197 N 1.52 3.01 -0.13 2.72 -1.94 0.30 -0.41 119.30 124.37 1b77 s MET 197 Ca 0.04 -0.89 -0.06 0.00 -1.71 0.00 0.00 55.69 53.07 1b77 s MET 197 Cb -0.16 -3.19 -0.04 0.00 2.01 0.00 0.00 34.83 33.45 1b77 s MET 197 CO 0.01 -0.41 0.10 -0.51 -0.01 0.00 0.00 175.02 174.21 1b77 s LEU 198 N 1.43 4.15 -0.01 -0.03 1.43 -0.01 -0.48 118.68 125.16 1b77 s LEU 198 Ca 0.02 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1b77 s LEU 198 Cb -0.17 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1b77 s LEU 198 CO -0.01 0.36 -0.03 0.86 0.23 0.00 0.00 176.35 177.76 1b77 s TRP 199 N -0.72 0.30 -0.14 0.29 -0.00 -0.24 -0.20 118.94 118.23 1b77 s TRP 199 Ca 0.13 -0.05 -0.10 0.00 -0.00 0.00 0.00 56.10 56.08 1b77 s TRP 199 Cb -0.12 -0.22 0.05 0.00 -0.00 0.00 0.00 33.47 33.18 1b77 s TRP 199 CO 0.03 -0.02 0.36 0.20 -0.00 0.00 0.00 176.95 177.51 1b77 s GLY 200 N 0.05 -0.27 -0.28 5.86 0.00 -1.26 -1.37 107.32 110.05 1b77 s GLY 200 Ca -0.00 1.21 -0.00 0.00 0.00 0.00 0.00 44.72 45.93 1b77 s GLY 200 CO -0.00 1.27 0.32 0.00 0.00 0.00 0.00 173.10 174.69 1b77 s ALA 201 N 0.88 -0.67 0.00 3.20 0.00 0.16 -4.76 121.76 120.57 1b77 s ALA 201 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1b77 s ALA 201 Cb -0.06 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1b77 s ALA 201 CO -0.07 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 174.44 1b77 n GLY 202 N 5.33 2.47 0.00 0.00 0.00 -1.26 -2.05 105.19 109.68 1b77 n GLY 202 Ca -0.02 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.74 1b77 n GLY 202 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b77 n ASP 203 N 3.65 0.00 -4.66 1.61 8.00 -1.26 -4.75 116.55 119.15 1b77 n ASP 203 Ca 0.00 0.32 -0.41 0.00 0.71 0.00 0.00 54.79 55.41 1b77 n ASP 203 Cb 0.00 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 40.61 1b77 n ASP 203 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1b77 s LYS 204 N -2.88 4.22 -0.01 -1.24 1.02 -0.87 -4.99 119.74 115.00 1b77 s LYS 204 Ca 0.18 0.84 0.01 0.00 0.02 0.00 0.00 55.97 57.02 1b77 s LYS 204 Cb 0.19 -3.60 0.01 0.00 -0.52 0.00 0.00 37.83 33.91 1b77 s LYS 204 CO 0.50 -0.36 -0.01 0.08 -0.92 0.00 0.00 175.35 174.64 1b77 s VAL 205 N 2.31 0.14 0.07 3.17 1.01 -1.26 -0.66 120.40 125.18 1b77 s VAL 205 Ca 0.34 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 62.10 1b77 s VAL 205 Cb -0.16 -0.18 0.05 0.00 0.00 0.00 0.00 36.38 36.10 1b77 s VAL 205 CO 0.10 0.08 0.52 0.00 0.00 0.00 0.00 175.10 175.80 1b77 s ALA 206 N 0.42 -1.33 0.14 5.51 0.00 -0.47 -2.58 121.76 123.44 1b77 s ALA 206 Ca -0.04 0.51 0.09 0.00 0.00 0.00 0.00 51.96 52.52 1b77 s ALA 206 Cb -0.06 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1b77 s ALA 206 CO -0.01 -0.56 -0.20 0.00 0.00 0.00 0.00 175.76 174.98 1b77 s ALA 207 N -2.81 1.98 -0.08 0.00 0.00 -0.23 -1.08 121.76 119.54 1b77 s ALA 207 Ca -0.03 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.54 1b77 s ALA 207 Cb -0.00 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1b77 s ALA 207 CO -0.05 0.32 -0.07 0.21 0.00 0.00 0.00 175.76 176.17 1b77 s LYS 208 N -2.35 1.32 -0.29 0.00 2.20 0.37 -0.60 119.74 120.39 1b77 s LYS 208 Ca 0.12 -0.22 -0.06 0.00 -0.36 0.00 0.00 55.97 55.44 1b77 s LYS 208 Cb -0.08 -1.31 0.01 0.00 -1.51 0.00 0.00 37.83 34.94 1b77 s LYS 208 CO 0.06 -0.15 0.06 -0.06 -0.36 0.00 0.00 175.35 174.90 1b77 s PHE 209 N 1.29 3.14 -0.10 4.03 0.40 0.11 -0.54 117.98 126.30 1b77 s PHE 209 Ca -0.04 -1.03 0.04 0.00 -0.60 0.00 0.00 56.93 55.30 1b77 s PHE 209 Cb -0.14 -2.23 0.00 0.00 0.51 0.00 0.00 43.02 41.16 1b77 s PHE 209 CO -0.03 -0.59 -0.23 -2.00 0.70 0.00 0.00 175.22 173.08 1b77 s GLU 210 N 1.48 2.91 0.42 0.44 2.12 -0.09 -0.15 118.70 125.83 1b77 s GLU 210 Ca 0.02 -0.83 0.03 0.00 0.36 0.00 0.00 54.97 54.56 1b77 s GLU 210 Cb -0.17 -2.21 -0.02 0.00 0.26 0.00 0.00 34.13 31.99 1b77 s GLU 210 CO 0.02 0.16 0.11 -1.54 -0.54 0.00 0.00 175.26 173.47 1b77 s SER 211 N 0.38 2.98 0.00 -1.70 1.04 -0.32 -0.59 113.70 115.49 1b77 s SER 211 Ca -0.18 -1.67 0.26 0.00 0.48 0.00 0.00 55.95 54.84 1b77 s SER 211 Cb -0.18 0.50 1.19 0.00 0.10 0.00 0.00 66.02 67.63 1b77 s SER 211 CO 0.08 -0.91 1.86 -1.54 0.98 0.00 0.00 173.24 173.71 1b77 n SER 212 N -1.30 0.00 -0.11 7.02 3.41 -1.26 -3.88 113.62 117.50 1b77 n SER 212 Ca -0.08 0.32 -0.21 0.00 -0.26 0.00 0.00 58.87 58.65 1b77 n SER 212 Cb 0.65 -0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 64.08 1b77 n SER 212 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b77 n GLN 213 N -1.44 0.51 -3.96 4.33 1.13 -1.26 -4.97 117.38 111.73 1b77 n GLN 213 Ca 0.08 0.18 -0.08 0.00 -1.94 0.00 0.00 57.00 55.24 1b77 n GLN 213 Cb 0.28 -1.37 -0.09 0.00 0.11 0.00 0.00 30.24 29.17 1b77 n GLN 213 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1b77 s VAL 214 N -2.43 0.16 -0.03 5.09 1.01 -1.25 -4.40 120.40 118.55 1b77 s VAL 214 Ca -0.31 -1.35 0.03 0.00 0.00 0.00 0.00 61.98 60.35 1b77 s VAL 214 Cb 0.11 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1b77 s VAL 214 CO 0.44 -0.75 -0.11 -0.44 0.00 0.00 0.00 175.10 174.25 1b77 s SER 215 N -2.61 1.41 0.02 3.32 0.01 -0.32 -1.18 113.70 114.35 1b77 s SER 215 Ca 0.02 -0.22 0.07 0.00 1.31 0.00 0.00 55.95 57.13 1b77 s SER 215 Cb 0.04 -0.40 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 1b77 s SER 215 CO -0.08 0.08 -0.21 -0.31 0.41 0.00 0.00 173.24 173.13 1b77 s TYR 216 N 0.21 1.82 -0.15 2.43 1.51 0.79 -0.95 117.35 123.01 1b77 s TYR 216 Ca -0.04 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1b77 s TYR 216 Cb -0.10 -1.12 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 1b77 s TYR 216 CO 0.01 0.04 -0.19 0.08 -1.11 0.00 0.00 175.55 174.38 1b77 s VAL 217 N -0.66 1.89 -0.08 0.71 1.01 -0.27 0.05 120.40 123.05 1b77 s VAL 217 Ca 0.08 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1b77 s VAL 217 Cb -0.08 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1b77 s VAL 217 CO 0.01 0.51 -0.20 -0.63 0.00 0.00 0.00 175.10 174.79 1b77 s ILE 218 N 1.16 1.73 0.34 2.22 1.01 0.23 -0.61 121.20 127.28 1b77 s ILE 218 Ca 0.00 -0.84 -0.27 0.00 0.00 0.00 0.00 60.65 59.54 1b77 s ILE 218 Cb -0.14 -1.51 -0.09 0.00 0.01 0.00 0.00 42.46 40.73 1b77 s ILE 218 CO -0.08 0.49 1.07 0.00 0.00 0.00 0.00 174.94 176.42 1b77 s ALA 219 N 0.33 3.25 0.16 9.38 0.00 -0.43 -1.06 121.76 133.38 1b77 s ALA 219 Ca -0.14 0.80 0.04 0.00 0.00 0.00 0.00 51.96 52.67 1b77 s ALA 219 Cb -0.16 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1b77 s ALA 219 CO 0.06 -0.19 0.18 -1.64 0.00 0.00 0.00 175.76 174.17 1b77 s MET 220 N -1.95 3.06 0.87 0.00 1.00 -1.06 -4.74 119.30 116.48 1b77 s MET 220 Ca 0.51 -0.79 -0.11 0.00 0.00 0.00 0.00 55.69 55.30 1b77 s MET 220 Cb -0.27 -2.74 0.12 0.00 0.00 0.00 0.00 34.83 31.93 1b77 s MET 220 CO 0.35 0.50 1.09 -1.21 0.00 0.00 0.00 175.02 175.74 1b77 s GLU 221 N -3.13 1.43 0.54 2.03 0.41 -0.24 -4.78 118.70 114.95 1b77 s GLU 221 Ca 0.32 0.89 0.33 0.00 -0.41 0.00 0.00 54.97 56.10 1b77 s GLU 221 Cb -0.10 -1.82 1.37 0.00 -1.78 0.00 0.00 34.13 31.79 1b77 s GLU 221 CO 0.25 -2.14 1.98 0.00 -0.49 0.00 0.00 175.26 174.86 1b77 h ALA 222 N -1.48 1.00 0.00 5.21 0.00 -1.94 -2.56 119.26 119.49 1b77 h ALA 222 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1b77 h ALA 222 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1b77 h ALA 222 CO 0.54 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 179.35 1b77 h ASP 223 N 0.00 0.00 -4.04 0.00 3.32 -1.93 -3.45 116.42 110.32 1b77 h ASP 223 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1b77 h ASP 223 Cb 0.49 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.18 1b77 h ASP 223 CO 0.00 0.00 0.63 -0.44 -1.72 0.00 0.00 179.24 177.71 1b77 s SER 224 N -4.38 5.28 0.02 6.45 0.01 -0.97 -4.86 113.70 115.26 1b77 s SER 224 Ca 0.03 2.81 -0.01 0.00 1.31 0.00 0.00 55.95 60.10 1b77 s SER 224 Cb 0.09 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1b77 s SER 224 CO 0.39 -1.57 -0.01 0.42 0.41 0.00 0.00 173.24 172.88 1b77 s THR 225 N -1.28 0.11 0.01 1.44 -4.23 -0.79 -4.98 115.64 105.93 1b77 s THR 225 Ca 0.71 -0.93 -0.29 0.00 -1.18 0.00 0.00 61.69 60.01 1b77 s THR 225 Cb -0.42 -0.33 0.10 0.00 1.34 0.00 0.00 72.50 73.20 1b77 s THR 225 CO 0.50 -0.51 0.92 -1.38 -0.54 0.00 0.00 174.62 173.61 1b77 s HIS 226 N -1.56 -0.30 -0.21 3.99 -3.43 -1.26 -0.50 115.29 112.02 1b77 s HIS 226 Ca -0.15 0.14 0.14 0.00 -0.80 0.00 0.00 55.06 54.39 1b77 s HIS 226 Cb -0.09 0.55 0.45 0.00 -1.43 0.00 0.00 32.58 32.06 1b77 s HIS 226 CO -0.01 -0.57 1.34 -0.40 -2.00 0.00 0.00 174.74 173.10 1b77 n ASP 227 N -0.28 2.69 0.00 7.38 5.68 -0.97 -5.00 116.55 126.05 1b77 n ASP 227 Ca -0.08 -3.44 0.13 0.00 -0.50 0.00 0.00 54.79 50.90 1b77 n ASP 227 Cb 0.61 -0.55 0.80 0.00 -1.14 0.00 0.00 41.12 40.84 1b77 n ASP 227 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36