#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 0.91 -0.21 3.17 1.02 -1.26 -0.83 119.74 122.54 1b77 s LYS 2 Ca 0.00 -0.71 -0.01 0.00 0.02 0.00 0.00 55.97 55.27 1b77 s LYS 2 Cb 0.00 -0.90 0.02 0.00 -0.52 0.00 0.00 37.83 36.43 1b77 s LYS 2 CO 0.00 0.23 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.03 1b77 s LEU 3 N -1.04 2.71 0.74 3.17 1.43 -1.26 -4.61 118.68 119.81 1b77 s LEU 3 Ca 0.01 -0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 52.27 1b77 s LEU 3 Cb -0.07 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.59 1b77 s LEU 3 CO 0.01 -0.06 1.12 -0.94 0.23 0.00 0.00 176.35 176.71 1b77 s SER 4 N 1.32 5.13 0.42 2.29 1.04 -1.26 -4.84 113.70 117.80 1b77 s SER 4 Ca 0.03 1.05 0.11 0.00 0.48 0.00 0.00 55.95 57.61 1b77 s SER 4 Cb -0.15 -1.76 0.91 0.00 0.10 0.00 0.00 66.02 65.13 1b77 s SER 4 CO -0.08 -1.53 1.99 0.11 0.98 0.00 0.00 173.24 174.71 1b77 h LYS 5 N -0.79 0.21 -0.18 4.02 1.79 -1.98 0.19 116.57 119.83 1b77 h LYS 5 Ca -0.45 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 57.95 1b77 h LYS 5 Cb 1.27 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 1b77 h LYS 5 CO 0.64 0.28 -0.02 -0.44 -1.08 0.00 0.00 179.45 178.83 1b77 h ASP 6 N 0.20 0.32 -0.23 0.86 3.32 -1.99 0.28 116.42 119.18 1b77 h ASP 6 Ca 0.05 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1b77 h ASP 6 Cb 0.23 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1b77 h ASP 6 CO 0.01 0.58 0.12 0.74 -1.72 0.00 0.00 179.24 178.98 1b77 h THR 7 N 0.05 1.12 -0.98 0.35 2.02 -1.85 -2.26 112.91 111.36 1b77 h THR 7 Ca 0.05 -0.32 0.08 0.00 0.77 0.00 0.00 66.41 66.99 1b77 h THR 7 Cb 0.43 0.91 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 1b77 h THR 7 CO 0.01 0.11 0.62 0.40 0.37 0.00 0.00 175.52 177.04 1b77 h ILE 8 N 0.26 1.03 -0.49 3.11 2.04 -0.86 0.02 117.51 122.61 1b77 h ILE 8 Ca 0.08 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 1b77 h ILE 8 Cb 0.07 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 35.98 1b77 h ILE 8 CO -0.01 0.20 -0.02 0.00 0.00 0.00 0.00 178.15 178.32 1b77 h ALA 9 N 1.47 1.04 -0.10 1.87 0.00 -0.61 -1.20 119.26 121.74 1b77 h ALA 9 Ca 0.45 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 1b77 h ALA 9 Cb 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1b77 h ALA 9 CO -0.20 0.59 -0.72 0.82 0.00 0.00 0.00 179.25 179.74 1b77 h ILE 10 N 0.77 1.36 0.00 0.00 2.04 -0.71 -2.83 117.51 118.13 1b77 h ILE 10 Ca 0.14 -2.08 -0.05 0.00 1.00 0.00 0.00 64.86 63.88 1b77 h ILE 10 Cb 0.49 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1b77 h ILE 10 CO 0.02 0.63 -0.23 -0.07 0.00 0.00 0.00 178.15 178.51 1b77 h LEU 11 N 0.33 0.00 -0.70 1.44 3.38 -0.73 -1.69 115.31 117.35 1b77 h LEU 11 Ca -0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1b77 h LEU 11 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1b77 h LEU 11 CO 0.13 0.23 -0.47 0.50 0.09 0.00 0.00 178.44 178.91 1b77 h LYS 12 N 0.00 0.43 -0.39 1.13 3.64 -1.01 -1.19 116.57 119.18 1b77 h LYS 12 Ca -0.00 -0.24 -0.14 0.00 -1.27 0.00 0.00 60.65 59.00 1b77 h LYS 12 Cb 0.41 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1b77 h LYS 12 CO 0.03 0.82 -0.30 -0.97 -2.27 0.00 0.00 179.45 176.76 1b77 h ASN 13 N 0.35 0.89 -0.70 4.20 -0.73 -1.11 -3.03 115.58 115.45 1b77 h ASN 13 Ca 0.02 -0.36 -0.03 0.00 1.87 0.00 0.00 56.30 57.80 1b77 h ASN 13 Cb 0.96 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 39.27 1b77 h ASN 13 CO 0.08 1.11 0.32 -0.26 -0.37 0.00 0.00 177.43 178.32 1b77 h PHE 14 N 0.72 1.02 0.00 0.67 -1.00 -1.04 -2.48 116.94 114.83 1b77 h PHE 14 Ca 0.08 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 1b77 h PHE 14 Cb 0.85 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 40.10 1b77 h PHE 14 CO 0.05 0.76 -0.00 0.00 -1.61 0.00 0.00 178.31 177.51 1b77 h ALA 15 N 1.15 1.30 0.00 2.45 0.00 -1.10 0.37 119.26 123.43 1b77 h ALA 15 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1b77 h ALA 15 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1b77 h ALA 15 CO -0.03 0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.89 1b77 h SER 16 N 0.00 0.00 0.14 0.00 4.64 -1.41 -3.12 113.55 113.81 1b77 h SER 16 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1b77 h SER 16 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1b77 h SER 16 CO 0.00 0.00 -1.95 0.40 -0.87 0.00 0.00 176.83 174.41 1b77 h ILE 17 N 0.00 0.69 -2.72 0.95 2.04 -0.32 -3.46 117.51 114.68 1b77 h ILE 17 Ca 0.00 -2.38 -0.16 0.00 1.00 0.00 0.00 64.86 63.32 1b77 h ILE 17 Cb 0.79 2.56 -0.30 0.00 -0.74 0.00 0.00 36.82 39.13 1b77 h ILE 17 CO 0.00 0.90 -0.44 0.21 0.00 0.00 0.00 178.15 178.82 1b77 s ASN 18 N -7.09 -0.04 0.40 1.72 3.84 -0.54 -4.32 114.94 108.91 1b77 s ASN 18 Ca -0.21 0.77 0.28 0.00 0.21 0.00 0.00 52.86 53.91 1b77 s ASN 18 Cb 0.06 0.91 1.44 0.00 -0.55 0.00 0.00 41.25 43.12 1b77 s ASN 18 CO 0.79 -0.22 1.85 0.77 -2.79 0.00 0.00 177.10 177.49 1b77 h SER 19 N 7.98 0.00 -1.74 -4.21 4.64 -1.82 -3.34 113.55 115.07 1b77 h SER 19 Ca -0.20 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.50 1b77 h SER 19 Cb 1.12 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.08 1b77 h SER 19 CO 0.17 0.00 -0.60 -0.83 -0.87 0.00 0.00 176.83 174.71 1b77 s GLY 20 N -3.72 2.50 0.08 -0.77 0.00 -1.24 -0.58 107.32 103.60 1b77 s GLY 20 Ca -0.02 -2.18 -0.26 0.00 0.00 0.00 0.00 44.72 42.26 1b77 s GLY 20 CO 0.29 -2.08 0.69 -1.50 0.00 0.00 0.00 173.10 170.50 1b77 s ILE 21 N -2.77 0.00 -0.22 0.90 2.07 0.22 -4.90 121.20 116.49 1b77 s ILE 21 Ca 0.34 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.55 1b77 s ILE 21 Cb 0.09 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.69 1b77 s ILE 21 CO 0.17 0.00 -0.08 -0.22 -1.91 0.00 0.00 174.94 172.90 1b77 s LEU 22 N -2.41 2.86 -0.11 8.50 2.96 -1.26 -0.33 118.68 128.88 1b77 s LEU 22 Ca 0.00 -0.61 -0.13 0.00 -0.22 0.00 0.00 54.13 53.17 1b77 s LEU 22 Cb -0.01 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 1b77 s LEU 22 CO -0.08 -0.06 0.30 -0.76 -1.32 0.00 0.00 176.35 174.43 1b77 s LEU 23 N 1.39 4.33 0.07 -0.68 1.43 -0.71 -4.79 118.68 119.72 1b77 s LEU 23 Ca 0.04 0.62 0.09 0.00 -1.03 0.00 0.00 54.13 53.85 1b77 s LEU 23 Cb -0.15 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1b77 s LEU 23 CO -0.06 0.21 -0.25 -0.44 0.23 0.00 0.00 176.35 176.04 1b77 s SER 24 N -0.20 3.05 0.27 2.29 0.01 -1.26 -2.42 113.70 115.45 1b77 s SER 24 Ca 0.18 -0.62 -0.29 0.00 1.31 0.00 0.00 55.95 56.52 1b77 s SER 24 Cb -0.14 -0.25 -0.14 0.00 0.21 0.00 0.00 66.02 65.71 1b77 s SER 24 CO 0.06 0.21 1.21 0.00 0.41 0.00 0.00 173.24 175.13 1b77 n GLN 25 N 1.54 1.71 0.00 12.44 6.02 -1.26 -4.71 117.38 133.12 1b77 n GLN 25 Ca -0.17 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1b77 n GLN 25 Cb 0.52 -2.12 0.00 0.00 1.02 0.00 0.00 30.24 29.66 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 1.45 0.78 2.06 1.08 0.00 -0.65 -4.84 105.19 105.06 1b77 n GLY 26 Ca 0.09 -2.07 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.45 2.98 -4.22 1.61 5.02 -1.26 -0.81 118.16 121.02 1b77 n LYS 27 Ca 0.00 -3.65 -0.17 0.00 -2.02 0.00 0.00 58.31 52.47 1b77 n LYS 27 Cb 0.00 -2.23 -0.15 0.00 -0.02 0.00 0.00 35.03 32.63 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 -3.65 0.60 0.05 2.13 5.36 -1.26 -0.64 117.98 120.58 1b77 s PHE 28 Ca 0.56 -0.12 0.04 0.00 -0.96 0.00 0.00 56.93 56.45 1b77 s PHE 28 Cb 0.45 -0.41 -0.03 0.00 -0.34 0.00 0.00 43.02 42.69 1b77 s PHE 28 CO 0.02 -0.03 -0.12 0.96 -1.46 0.00 0.00 175.22 174.58 1b77 s ILE 29 N 0.00 0.89 0.14 3.12 -4.36 -0.68 -4.64 121.20 115.68 1b77 s ILE 29 Ca 0.00 -1.13 -0.19 0.00 -0.26 0.00 0.00 60.65 59.07 1b77 s ILE 29 Cb -0.04 -0.88 0.05 0.00 1.25 0.00 0.00 42.46 42.84 1b77 s ILE 29 CO -0.00 -0.22 0.49 0.00 0.24 0.00 0.00 174.94 175.44 1b77 s MET 30 N -1.52 1.16 0.20 0.37 0.23 -1.26 -1.12 119.30 117.35 1b77 s MET 30 Ca -0.04 -0.58 -0.18 0.00 -1.03 0.00 0.00 55.69 53.85 1b77 s MET 30 Cb -0.09 0.52 0.03 0.00 -1.53 0.00 0.00 34.83 33.76 1b77 s MET 30 CO 0.01 -0.48 0.54 -0.08 -2.03 0.00 0.00 175.02 172.99 1b77 s THR 31 N -3.72 0.02 -0.11 3.16 -1.32 -0.12 -4.71 115.64 108.84 1b77 s THR 31 Ca 0.02 -0.70 -0.11 0.00 -1.21 0.00 0.00 61.69 59.69 1b77 s THR 31 Cb 0.01 -1.53 0.03 0.00 -1.51 0.00 0.00 72.50 69.49 1b77 s THR 31 CO -0.12 -0.10 0.31 -0.60 -2.21 0.00 0.00 174.62 171.91 1b77 s ARG 32 N -3.86 0.39 0.66 7.08 3.52 -1.26 -1.56 118.95 123.92 1b77 s ARG 32 Ca 0.08 0.39 -0.17 0.00 -0.13 0.00 0.00 55.73 55.90 1b77 s ARG 32 Cb -0.01 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 1b77 s ARG 32 CO -0.03 -0.05 1.22 0.00 -0.81 0.00 0.00 175.30 175.62 1b77 s ALA 33 N 0.04 2.34 0.29 6.12 0.00 -0.34 -4.71 121.76 125.51 1b77 s ALA 33 Ca -0.01 0.99 0.01 0.00 0.00 0.00 0.00 51.96 52.95 1b77 s ALA 33 Cb -0.02 -3.48 0.53 0.00 0.00 0.00 0.00 23.12 20.15 1b77 s ALA 33 CO 0.01 -1.54 1.89 0.28 0.00 0.00 0.00 175.76 176.39 1b77 h VAL 34 N 0.32 1.03 -0.10 0.00 2.07 -1.91 0.22 116.25 117.87 1b77 h VAL 34 Ca -0.49 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1b77 h VAL 34 Cb 1.30 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1b77 h VAL 34 CO 0.53 0.19 0.00 -0.46 0.02 0.00 0.00 177.57 177.84 1b77 n ASN 35 N -4.52 0.82 0.00 0.57 0.23 -1.26 -4.92 115.26 106.18 1b77 n ASN 35 Ca 0.15 -1.67 0.00 0.00 -0.53 0.00 0.00 54.58 52.54 1b77 n ASN 35 Cb 0.24 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 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 0.91 0.24 0.17 4.83 0.00 0.06 -4.88 105.19 106.52 1b77 n GLY 36 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 1.40 -3.56 2.61 1.35 -1.91 -3.45 112.91 109.34 1b77 h THR 37 Ca 0.00 -2.26 -0.64 0.00 -0.55 0.00 0.00 66.41 62.96 1b77 h THR 37 Cb 0.32 2.22 -0.33 0.00 -1.73 0.00 0.00 68.15 68.64 1b77 h THR 37 CO 0.00 0.68 -0.87 -0.89 -0.25 0.00 0.00 175.52 174.19 1b77 s THR 38 N -3.49 1.83 0.06 6.82 2.01 -1.26 -1.30 115.64 120.31 1b77 s THR 38 Ca -0.05 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.14 1b77 s THR 38 Cb 0.10 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 1b77 s THR 38 CO 0.84 0.51 -0.26 -0.47 -0.69 0.00 0.00 174.62 174.56 1b77 s TYR 39 N 0.25 2.25 -0.02 4.92 5.04 0.19 -1.20 117.35 128.79 1b77 s TYR 39 Ca -0.13 -0.40 -0.05 0.00 -2.44 0.00 0.00 57.07 54.05 1b77 s TYR 39 Cb -0.16 -1.32 0.00 0.00 0.35 0.00 0.00 41.96 40.83 1b77 s TYR 39 CO 0.06 0.17 0.10 0.00 -1.34 0.00 0.00 175.55 174.54 1b77 s ALA 40 N -0.86 -0.24 0.06 3.97 0.00 -0.60 -1.27 121.76 122.81 1b77 s ALA 40 Ca 0.12 0.01 -0.17 0.00 0.00 0.00 0.00 51.96 51.91 1b77 s ALA 40 Cb -0.10 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.03 1b77 s ALA 40 CO 0.03 -0.13 0.40 -1.83 0.00 0.00 0.00 175.76 174.23 1b77 s GLU 41 N -0.73 0.93 -0.15 0.00 -1.05 -0.85 -0.94 118.70 115.91 1b77 s GLU 41 Ca -0.08 -0.43 -0.29 0.00 -0.15 0.00 0.00 54.97 54.01 1b77 s GLU 41 Cb -0.05 0.41 0.11 0.00 -0.44 0.00 0.00 34.13 34.16 1b77 s GLU 41 CO 0.01 -0.32 0.90 0.00 0.95 0.00 0.00 175.26 176.79 1b77 s ALA 42 N -2.69 -1.88 -0.04 -0.84 0.00 -0.28 -1.94 121.76 114.09 1b77 s ALA 42 Ca -0.04 1.57 -0.18 0.00 0.00 0.00 0.00 51.96 53.31 1b77 s ALA 42 Cb -0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 1b77 s ALA 42 CO -0.04 -0.32 0.50 -0.80 0.00 0.00 0.00 175.76 175.10 1b77 s ASN 43 N -0.88 6.83 0.35 0.00 0.02 -1.26 -1.68 114.94 118.32 1b77 s ASN 43 Ca -0.04 0.99 0.09 0.00 -1.02 0.00 0.00 52.86 52.88 1b77 s ASN 43 Cb -0.01 -2.31 -0.07 0.00 0.02 0.00 0.00 41.25 38.89 1b77 s ASN 43 CO 0.03 0.13 -0.08 0.27 0.02 0.00 0.00 177.10 177.48 1b77 s ILE 44 N -0.18 2.24 -1.32 0.60 -4.36 0.19 -5.00 121.20 113.38 1b77 s ILE 44 Ca 0.27 -2.17 0.26 0.00 -0.26 0.00 0.00 60.65 58.75 1b77 s ILE 44 Cb -0.17 -2.70 0.13 0.00 1.25 0.00 0.00 42.46 40.97 1b77 s ILE 44 CO 0.14 -0.18 1.50 -1.54 0.24 0.00 0.00 174.94 175.09 1b77 n SER 45 N -0.83 0.70 -4.91 4.36 3.41 -1.26 -4.78 113.62 110.32 1b77 n SER 45 Ca -0.05 -0.51 -0.31 0.00 -0.26 0.00 0.00 58.87 57.74 1b77 n SER 45 Cb 0.64 0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.73 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 -2.78 6.45 -0.29 4.04 1.01 -1.26 -5.08 116.67 118.75 1b77 s ASP 46 Ca 0.17 0.48 -0.10 0.00 0.71 0.00 0.00 52.55 53.82 1b77 s ASP 46 Cb 0.18 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 42.04 1b77 s ASP 46 CO 0.62 0.08 0.15 -0.70 0.21 0.00 0.00 175.17 175.52 1b77 s GLU 47 N -2.66 3.59 -0.20 8.23 2.56 -1.26 -4.37 118.70 124.59 1b77 s GLU 47 Ca 0.39 -0.54 -0.29 0.00 0.00 0.00 0.00 54.97 54.53 1b77 s GLU 47 Cb -0.12 -3.54 0.00 0.00 2.00 0.00 0.00 34.13 32.47 1b77 s GLU 47 CO 0.26 -0.30 1.05 0.42 -0.56 0.00 0.00 175.26 176.13 1b77 s ILE 48 N 1.66 4.67 -0.77 -3.70 1.01 0.01 -4.56 121.20 119.52 1b77 s ILE 48 Ca 0.06 2.00 0.15 0.00 0.00 0.00 0.00 60.65 62.86 1b77 s ILE 48 Cb -0.16 -4.29 0.52 0.00 0.01 0.00 0.00 42.46 38.54 1b77 s ILE 48 CO 0.07 -0.14 1.44 -0.90 0.00 0.00 0.00 174.94 175.41 1b77 n ASP 49 N 6.09 3.88 -3.55 3.58 5.68 -1.26 -1.64 116.55 129.33 1b77 n ASP 49 Ca 0.12 -2.47 -0.15 0.00 -0.50 0.00 0.00 54.79 51.79 1b77 n ASP 49 Cb 0.46 -0.45 -0.06 0.00 -1.14 0.00 0.00 41.12 39.94 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 -1.86 -0.57 -0.05 2.11 -0.71 -1.26 -4.99 117.98 110.65 1b77 s PHE 50 Ca 0.39 1.04 -0.17 0.00 -1.04 0.00 0.00 56.93 57.14 1b77 s PHE 50 Cb 0.26 0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 42.43 1b77 s PHE 50 CO 0.17 -0.50 0.47 -0.51 -1.34 0.00 0.00 175.22 173.51 1b77 s ASP 51 N -1.01 6.79 -0.25 1.98 1.01 -1.26 -4.37 116.67 119.55 1b77 s ASP 51 Ca -0.07 0.93 -0.26 0.00 0.71 0.00 0.00 52.55 53.87 1b77 s ASP 51 Cb -0.01 -2.29 0.09 0.00 1.01 0.00 0.00 42.92 41.72 1b77 s ASP 51 CO 0.06 0.14 0.81 0.54 0.21 0.00 0.00 175.17 176.93 1b77 s VAL 52 N -0.15 0.00 -0.12 -1.27 0.11 -1.02 -5.03 120.40 112.92 1b77 s VAL 52 Ca 0.26 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.22 1b77 s VAL 52 Cb -0.16 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1b77 s VAL 52 CO 0.13 0.00 0.19 0.00 -3.33 0.00 0.00 175.10 172.09 1b77 s ALA 53 N 0.19 3.79 -0.16 1.54 0.00 -1.26 -1.74 121.76 124.12 1b77 s ALA 53 Ca -0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.38 1b77 s ALA 53 Cb -0.05 -2.10 -0.00 0.00 0.00 0.00 0.00 23.12 20.97 1b77 s ALA 53 CO -0.00 0.47 -0.14 -0.51 0.00 0.00 0.00 175.76 175.58 1b77 s LEU 54 N -0.65 2.54 0.07 0.00 1.43 0.55 -0.54 118.68 122.08 1b77 s LEU 54 Ca 0.15 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 1b77 s LEU 54 Cb -0.13 -1.59 -0.26 0.00 0.03 0.00 0.00 46.19 44.25 1b77 s LEU 54 CO 0.04 0.07 1.15 0.22 0.23 0.00 0.00 176.35 178.07 1b77 h TYR 55 N 7.38 1.02 -2.65 0.29 3.20 -1.85 0.65 116.97 125.01 1b77 h TYR 55 Ca -0.34 -0.60 -0.60 0.00 3.14 0.00 0.00 58.73 60.33 1b77 h TYR 55 Cb 1.18 -0.10 -0.41 0.00 1.54 0.00 0.00 36.73 38.95 1b77 h TYR 55 CO 0.51 1.44 -0.71 -3.47 -1.64 0.00 0.00 178.16 174.30 1b77 n ASP 56 N -3.82 2.21 -0.30 -2.11 -0.08 -1.25 -3.60 116.55 107.61 1b77 n ASP 56 Ca -0.12 -3.04 0.03 0.00 -1.51 0.00 0.00 54.79 50.14 1b77 n ASP 56 Cb 0.94 -0.69 0.17 0.00 2.34 0.00 0.00 41.12 43.88 1b77 n ASP 56 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1b77 h LEU 57 N 5.05 0.69 -0.45 -2.67 5.85 -1.05 -2.49 115.31 120.25 1b77 h LEU 57 Ca 0.18 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1b77 h LEU 57 Cb 0.78 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1b77 h LEU 57 CO 0.65 0.39 0.28 -1.13 -0.34 0.00 0.00 178.44 178.30 1b77 h ASN 58 N 0.80 0.53 0.22 1.25 -1.24 -1.92 -0.81 115.58 114.42 1b77 h ASN 58 Ca 0.40 -0.04 -0.09 0.00 0.71 0.00 0.00 56.30 57.28 1b77 h ASN 58 Cb 0.36 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 1b77 h ASN 58 CO -0.25 0.41 -0.35 0.28 -1.29 0.00 0.00 177.43 176.24 1b77 h SER 59 N 0.60 0.19 0.28 1.15 0.02 -1.88 -1.47 113.55 112.44 1b77 h SER 59 Ca 0.16 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1b77 h SER 59 Cb -0.03 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1b77 h SER 59 CO -0.03 0.54 -0.13 0.15 -1.14 0.00 0.00 176.83 176.21 1b77 h PHE 60 N 0.17 -0.34 -0.69 3.45 3.57 -1.00 -1.82 116.94 120.27 1b77 h PHE 60 Ca 0.02 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1b77 h PHE 60 Cb 0.70 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.49 1b77 h PHE 60 CO 0.01 -0.10 0.37 -0.07 -2.23 0.00 0.00 178.31 176.29 1b77 h LEU 61 N -0.54 0.52 -1.11 0.59 3.38 -0.95 -1.21 115.31 115.99 1b77 h LEU 61 Ca -0.04 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1b77 h LEU 61 Cb 0.40 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1b77 h LEU 61 CO 0.06 0.32 0.60 0.28 0.09 0.00 0.00 178.44 179.79 1b77 h SER 62 N 0.66 1.00 -0.09 -0.43 0.02 -1.16 -1.13 113.55 112.41 1b77 h SER 62 Ca 0.32 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 1b77 h SER 62 Cb 0.27 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1b77 h SER 62 CO -0.22 0.69 -0.00 0.40 -1.14 0.00 0.00 176.83 176.56 1b77 h ILE 63 N 1.16 1.12 0.00 3.27 1.08 -0.34 -1.59 117.51 122.21 1b77 h ILE 63 Ca 0.36 -0.47 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 1b77 h ILE 63 Cb -0.02 0.99 -0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1b77 h ILE 63 CO -0.10 0.16 -0.14 -0.07 -0.69 0.00 0.00 178.15 177.31 1b77 h LEU 64 N 0.26 0.00 -0.80 1.44 3.38 -0.75 -2.14 115.31 116.71 1b77 h LEU 64 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1b77 h LEU 64 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1b77 h LEU 64 CO 0.00 0.14 0.00 0.77 0.09 0.00 0.00 178.44 179.44 1b77 h SER 65 N 0.00 0.00 0.09 -0.43 4.64 -1.16 -2.94 113.55 113.75 1b77 h SER 65 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b77 h SER 65 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1b77 h SER 65 CO 0.02 0.00 -0.18 0.18 -0.87 0.00 0.00 176.83 175.98 1b77 n LEU 66 N -2.44 1.56 -4.63 5.97 4.77 -0.80 -4.95 117.00 116.47 1b77 n LEU 66 Ca 0.02 -0.50 -0.29 0.00 -0.03 0.00 0.00 56.01 55.22 1b77 n LEU 66 Cb 0.27 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1b77 n LEU 66 CO 0.22 0.28 -0.27 0.68 -1.33 0.00 0.00 177.39 176.97 1b77 s VAL 67 N -2.28 1.56 0.27 4.08 -7.23 -1.11 -5.10 120.40 110.58 1b77 s VAL 67 Ca 0.28 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.15 1b77 s VAL 67 Cb 0.20 -2.68 -0.13 0.00 0.56 0.00 0.00 36.38 34.33 1b77 s VAL 67 CO 0.45 0.00 1.39 -1.20 -0.31 0.00 0.00 175.10 175.42 1b77 n SER 68 N -1.04 2.82 0.28 4.85 7.64 -1.26 -4.83 113.62 122.07 1b77 n SER 68 Ca -0.09 1.16 0.17 0.00 1.01 0.00 0.00 58.87 61.12 1b77 n SER 68 Cb 0.67 -1.45 0.83 0.00 -1.01 0.00 0.00 64.21 63.25 1b77 n SER 68 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1b77 h ASP 69 N 3.82 0.00 -0.43 6.43 3.32 -1.97 0.20 116.42 127.80 1b77 h ASP 69 Ca -0.45 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1b77 h ASP 69 Cb 1.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 1b77 h ASP 69 CO 0.73 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.35 1b77 n ASP 70 N -3.13 4.86 -4.67 6.45 5.75 -1.26 -4.77 116.55 119.78 1b77 n ASP 70 Ca 0.00 -2.99 -0.46 0.00 -0.01 0.00 0.00 54.79 51.33 1b77 n ASP 70 Cb 0.40 -0.62 -0.04 0.00 -1.03 0.00 0.00 41.12 39.83 1b77 n ASP 70 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b77 n ALA 71 N 0.07 1.23 -2.71 2.12 0.00 0.71 -4.92 120.51 117.01 1b77 n ALA 71 Ca 0.25 0.45 -0.40 0.00 0.00 0.00 0.00 53.44 53.74 1b77 n ALA 71 Cb 1.06 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 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 0.72 4.43 -0.07 0.00 2.56 -1.01 -4.66 118.70 120.67 1b77 s GLU 72 Ca 0.78 0.93 0.05 0.00 0.00 0.00 0.00 54.97 56.72 1b77 s GLU 72 Cb -0.69 -3.46 -0.01 0.00 2.00 0.00 0.00 34.13 31.97 1b77 s GLU 72 CO 0.40 0.01 -0.23 -1.50 -0.56 0.00 0.00 175.26 173.38 1b77 s ILE 73 N 0.98 2.24 0.37 -3.70 2.07 -0.01 -0.33 121.20 122.83 1b77 s ILE 73 Ca 0.38 -0.99 -0.06 0.00 -1.41 0.00 0.00 60.65 58.57 1b77 s ILE 73 Cb -0.18 -1.84 0.02 0.00 0.13 0.00 0.00 42.46 40.60 1b77 s ILE 73 CO 0.18 0.57 0.59 -0.94 -1.91 0.00 0.00 174.94 173.43 1b77 s SER 74 N -0.11 0.69 -0.10 4.50 1.04 -0.50 0.12 113.70 119.34 1b77 s SER 74 Ca -0.05 -1.41 -0.22 0.00 0.48 0.00 0.00 55.95 54.75 1b77 s SER 74 Cb -0.14 0.74 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 1b77 s SER 74 CO 0.04 -1.45 0.63 -0.32 0.98 0.00 0.00 173.24 173.12 1b77 s MET 75 N -2.70 4.39 0.78 4.02 1.75 -1.26 0.11 119.30 126.37 1b77 s MET 75 Ca 0.26 0.74 -0.12 0.00 -1.25 0.00 0.00 55.69 55.32 1b77 s MET 75 Cb -0.02 -3.46 0.06 0.00 2.84 0.00 0.00 34.83 34.25 1b77 s MET 75 CO 0.18 0.05 1.15 -1.58 -0.65 0.00 0.00 175.02 174.17 1b77 s HIS 76 N 0.88 3.06 0.51 4.11 2.46 0.31 -4.83 115.29 121.80 1b77 s HIS 76 Ca 0.33 0.82 0.25 0.00 0.47 0.00 0.00 55.06 56.94 1b77 s HIS 76 Cb -0.17 -3.36 1.36 0.00 -0.13 0.00 0.00 32.58 30.28 1b77 s HIS 76 CO 0.15 -1.59 1.95 1.15 -2.47 0.00 0.00 174.74 173.93 1b77 h THR 77 N -0.93 0.69 -0.24 0.89 2.02 -1.97 -1.01 112.91 112.36 1b77 h THR 77 Ca -0.46 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1b77 h THR 77 Cb 1.31 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1b77 h THR 77 CO 0.65 0.01 0.00 -0.90 0.37 0.00 0.00 175.52 175.65 1b77 n ASP 78 N -4.37 1.79 0.00 4.18 5.75 -1.26 -4.90 116.55 117.75 1b77 n ASP 78 Ca 0.13 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1b77 n ASP 78 Cb 0.70 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 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 1.12 0.96 4.00 6.12 0.00 -0.38 -5.05 105.19 111.95 1b77 n GLY 79 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1b77 n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b77 s ASN 80 N -2.89 4.28 -0.05 1.61 0.02 -1.26 -4.58 114.94 112.08 1b77 s ASN 80 Ca 0.00 -0.50 -0.14 0.00 -1.02 0.00 0.00 52.86 51.21 1b77 s ASN 80 Cb 0.00 0.18 -0.05 0.00 0.02 0.00 0.00 41.25 41.40 1b77 s ASN 80 CO 0.00 -1.92 0.36 -0.63 0.02 0.00 0.00 177.10 174.93 1b77 s ILE 81 N -3.14 5.15 -0.11 0.60 1.01 0.18 0.11 121.20 125.00 1b77 s ILE 81 Ca 0.67 0.71 0.01 0.00 0.00 0.00 0.00 60.65 62.05 1b77 s ILE 81 Cb -0.04 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 1b77 s ILE 81 CO 0.45 0.54 -0.15 -0.75 0.00 0.00 0.00 174.94 175.03 1b77 s LYS 82 N -0.75 3.13 -0.32 2.79 2.20 0.12 -0.71 119.74 126.20 1b77 s LYS 82 Ca 0.22 -0.71 0.01 0.00 -0.36 0.00 0.00 55.97 55.12 1b77 s LYS 82 Cb -0.15 -2.53 0.08 0.00 -1.51 0.00 0.00 37.83 33.72 1b77 s LYS 82 CO 0.11 0.31 0.02 0.42 -0.36 0.00 0.00 175.35 175.85 1b77 s ILE 83 N 0.09 2.64 -0.36 5.43 1.01 0.89 -1.41 121.20 129.49 1b77 s ILE 83 Ca -0.06 -1.84 -0.23 0.00 0.00 0.00 0.00 60.65 58.52 1b77 s ILE 83 Cb -0.15 -2.70 0.01 0.00 0.01 0.00 0.00 42.46 39.63 1b77 s ILE 83 CO 0.05 -0.33 0.77 0.00 0.00 0.00 0.00 174.94 175.42 1b77 s ALA 84 N 1.10 3.45 0.52 9.38 0.00 0.55 -1.23 121.76 135.52 1b77 s ALA 84 Ca 0.01 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.38 1b77 s ALA 84 Cb -0.20 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1b77 s ALA 84 CO -0.05 -1.43 0.36 0.34 0.00 0.00 0.00 175.76 174.99 1b77 s ASP 85 N 1.81 4.63 0.06 0.00 2.15 -0.32 -2.39 116.67 122.60 1b77 s ASP 85 Ca 0.31 -1.21 -0.16 0.00 0.43 0.00 0.00 52.55 51.91 1b77 s ASP 85 Cb -0.13 0.25 -0.06 0.00 -0.30 0.00 0.00 42.92 42.68 1b77 s ASP 85 CO 0.16 -1.00 1.27 0.74 -0.17 0.00 0.00 175.17 176.17 1b77 h THR 86 N 0.86 0.00 -0.15 1.71 2.02 -1.97 -3.29 112.91 112.09 1b77 h THR 86 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1b77 h THR 86 Cb 1.30 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1b77 h THR 86 CO 0.59 0.00 0.00 0.54 0.37 0.00 0.00 175.52 177.02 1b77 n ARG 87 N -3.99 2.38 -4.23 6.66 3.00 -1.26 -5.05 116.66 114.16 1b77 n ARG 87 Ca -0.02 -1.62 -0.14 0.00 -0.01 0.00 0.00 57.85 56.05 1b77 n ARG 87 Cb 0.18 -1.14 -0.10 0.00 0.00 0.00 0.00 32.46 31.41 1b77 n ARG 87 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1b77 s SER 88 N -0.91 0.64 -0.00 0.55 1.04 -1.24 -5.16 113.70 108.61 1b77 s SER 88 Ca 0.11 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.06 1b77 s SER 88 Cb 0.06 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1b77 s SER 88 CO 0.08 -0.89 0.00 -0.89 0.98 0.00 0.00 173.24 172.52 1b77 s THR 89 N -3.94 0.01 -0.12 2.02 2.01 -1.26 -1.17 115.64 113.19 1b77 s THR 89 Ca 0.39 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.44 1b77 s THR 89 Cb 0.06 -0.03 0.01 0.00 0.01 0.00 0.00 72.50 72.54 1b77 s THR 89 CO 0.16 0.02 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.19 1b77 s VAL 90 N 0.13 1.99 -0.12 3.82 1.01 -0.37 -4.97 120.40 121.91 1b77 s VAL 90 Ca -0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 1b77 s VAL 90 Cb -0.02 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1b77 s VAL 90 CO -0.00 0.54 0.04 -0.31 0.00 0.00 0.00 175.10 175.37 1b77 s TYR 91 N 0.59 3.26 -0.03 5.22 2.02 -1.26 -0.08 117.35 127.07 1b77 s TYR 91 Ca -0.13 0.21 0.04 0.00 -0.37 0.00 0.00 57.07 56.81 1b77 s TYR 91 Cb -0.17 -1.89 -0.00 0.00 -0.40 0.00 0.00 41.96 39.50 1b77 s TYR 91 CO 0.04 0.43 -0.13 -0.46 -1.57 0.00 0.00 175.55 173.85 1b77 s TRP 92 N -0.58 1.31 0.32 2.71 -0.11 0.12 -4.99 118.94 117.71 1b77 s TRP 92 Ca 0.10 -0.33 -0.29 0.00 1.22 0.00 0.00 56.10 56.81 1b77 s TRP 92 Cb -0.12 -0.89 -0.11 0.00 -1.50 0.00 0.00 33.47 30.86 1b77 s TRP 92 CO 0.02 -0.10 1.43 -1.25 -4.62 0.00 0.00 176.95 172.43 1b77 s PRO 93 N -0.02 4.23 -0.18 5.86 0.04 -1.26 -0.65 135.00 143.03 1b77 s PRO 93 Ca -0.01 2.38 -0.16 0.00 0.04 0.00 0.00 61.00 63.26 1b77 s PRO 93 Cb -0.09 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 1b77 s PRO 93 CO 0.01 -0.40 0.39 0.00 0.04 0.00 0.00 177.00 177.04 1b77 s ALA 94 N -0.72 3.55 0.35 8.56 0.00 -1.26 -4.76 121.76 127.48 1b77 s ALA 94 Ca 0.54 -0.45 -0.14 0.00 0.00 0.00 0.00 51.96 51.90 1b77 s ALA 94 Cb -0.43 -2.58 -0.09 0.00 0.00 0.00 0.00 23.12 20.02 1b77 s ALA 94 CO 0.53 -0.17 0.76 0.00 0.00 0.00 0.00 175.76 176.89 1b77 s ALA 95 N 1.02 3.30 0.08 0.00 0.00 0.30 -4.95 121.76 121.50 1b77 s ALA 95 Ca 0.20 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 1b77 s ALA 95 Cb -0.14 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 1b77 s ALA 95 CO 0.07 0.23 1.04 0.34 0.00 0.00 0.00 175.76 177.44 1b77 s ASP 96 N -2.47 7.34 0.40 0.00 2.15 -1.26 -4.30 116.67 118.52 1b77 s ASP 96 Ca 0.54 1.85 0.22 0.00 0.43 0.00 0.00 52.55 55.59 1b77 s ASP 96 Cb -0.10 -2.58 1.25 0.00 -0.30 0.00 0.00 42.92 41.18 1b77 s ASP 96 CO 0.20 -0.23 1.66 0.11 -0.17 0.00 0.00 175.17 176.75 1b77 h LYS 97 N 6.10 0.21 0.00 4.34 1.57 -1.94 -0.32 116.57 126.54 1b77 h LYS 97 Ca -0.42 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1b77 h LYS 97 Cb 1.21 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1b77 h LYS 97 CO 0.75 0.14 0.00 -1.13 -0.57 0.00 0.00 179.45 178.64 1b77 n SER 98 N -4.83 0.32 -1.13 0.86 3.41 -1.26 -2.57 113.62 108.43 1b77 n SER 98 Ca 0.33 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.67 1b77 n SER 98 Cb 1.17 -0.67 0.27 0.00 -0.26 0.00 0.00 64.21 64.72 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 -1.90 0.70 -4.08 6.66 -2.24 -0.13 -4.92 114.28 108.38 1b77 n THR 99 Ca 0.01 -0.79 -0.09 0.00 -2.27 0.00 0.00 64.05 60.91 1b77 n THR 99 Cb 0.09 0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.30 0.31 -0.14 2.28 -4.36 -1.06 -5.00 121.20 111.93 1b77 s ILE 100 Ca 0.41 -1.58 -0.05 0.00 -0.26 0.00 0.00 60.65 59.17 1b77 s ILE 100 Cb 0.22 -1.21 -0.04 0.00 1.25 0.00 0.00 42.46 42.69 1b77 s ILE 100 CO 0.30 -0.82 0.04 -0.69 0.24 0.00 0.00 174.94 174.01 1b77 s VAL 101 N -3.14 4.60 0.05 8.37 1.01 -1.26 -4.99 120.40 125.05 1b77 s VAL 101 Ca 0.02 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 1b77 s VAL 101 Cb 0.02 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.42 1b77 s VAL 101 CO -0.06 0.53 0.38 0.72 0.00 0.00 0.00 175.10 176.67 1b77 s PHE 102 N -0.19 -0.21 0.07 5.22 -0.12 -1.26 -4.71 117.98 116.77 1b77 s PHE 102 Ca 0.07 0.12 -0.31 0.00 -0.05 0.00 0.00 56.93 56.76 1b77 s PHE 102 Cb -0.12 0.19 -0.06 0.00 -0.63 0.00 0.00 43.02 42.39 1b77 s PHE 102 CO 0.02 -0.57 1.26 -2.14 -0.05 0.00 0.00 175.22 173.74 1b77 s PRO 103 N -2.63 4.39 0.22 1.99 0.02 -1.26 -4.92 135.00 132.81 1b77 s PRO 103 Ca -0.04 1.86 0.25 0.00 0.02 0.00 0.00 61.00 63.09 1b77 s PRO 103 Cb -0.01 -3.34 0.66 0.00 0.02 0.00 0.00 34.50 31.83 1b77 s PRO 103 CO -0.04 -0.33 1.66 -2.95 -0.33 0.00 0.00 177.00 175.01 1b77 h ASN 104 N 6.89 0.00 -4.68 2.53 -0.00 -2.01 -3.46 115.58 114.84 1b77 h ASN 104 Ca -0.41 -0.04 -0.06 0.00 -0.00 0.00 0.00 56.30 55.79 1b77 h ASN 104 Cb 1.21 0.00 -0.20 0.00 -0.00 0.00 0.00 38.32 39.33 1b77 h ASN 104 CO 0.83 0.02 0.15 -1.59 -0.00 0.00 0.00 177.43 176.85 1b77 s LYS 105 N -3.13 0.97 0.88 4.14 -2.85 -1.26 -5.16 119.74 113.33 1b77 s LYS 105 Ca 0.09 0.47 -0.12 0.00 -1.00 0.00 0.00 55.97 55.42 1b77 s LYS 105 Cb 0.12 0.46 0.11 0.00 -2.06 0.00 0.00 37.83 36.46 1b77 s LYS 105 CO 0.63 -0.25 1.08 -0.35 0.10 0.00 0.00 175.35 176.56 1b77 n PRO 106 N 1.48 -0.19 -3.11 1.78 -0.04 -1.26 -4.97 135.00 128.70 1b77 n PRO 106 Ca -0.17 0.02 -0.39 0.00 -0.04 0.00 0.00 63.50 62.91 1b77 n PRO 106 Cb 0.56 -2.33 -0.05 0.00 -0.04 0.00 0.00 33.50 31.64 1b77 n PRO 106 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1b77 s ILE 107 N -2.40 4.95 -0.50 0.52 -1.09 -1.26 -5.02 121.20 116.40 1b77 s ILE 107 Ca 0.68 1.38 -0.10 0.00 -2.23 0.00 0.00 60.65 60.38 1b77 s ILE 107 Cb -0.25 -4.00 0.13 0.00 -1.58 0.00 0.00 42.46 36.75 1b77 s ILE 107 CO 0.56 0.34 0.39 -1.58 -1.23 0.00 0.00 174.94 173.42 1b77 s GLN 108 N 0.29 2.61 0.14 2.79 2.00 -1.26 -5.06 119.66 121.17 1b77 s GLN 108 Ca 0.35 -1.80 -0.31 0.00 -2.00 0.00 0.00 55.36 51.60 1b77 s GLN 108 Cb -0.18 -4.01 -0.08 0.00 0.80 0.00 0.00 33.01 29.54 1b77 s GLN 108 CO 0.18 -1.22 1.34 0.12 -0.50 0.00 0.00 175.29 175.21 1b77 s PHE 109 N 1.33 3.27 1.11 1.67 5.36 -1.26 -5.02 117.98 124.44 1b77 s PHE 109 Ca 0.06 1.09 -0.12 0.00 -0.96 0.00 0.00 56.93 56.99 1b77 s PHE 109 Cb -0.26 -3.63 0.25 0.00 -0.34 0.00 0.00 43.02 39.04 1b77 s PHE 109 CO -0.00 -2.09 1.05 -1.25 -1.46 0.00 0.00 175.22 171.47 1b77 s PRO 110 N 0.62 -0.48 0.18 10.12 0.04 -1.26 -4.91 135.00 139.30 1b77 s PRO 110 Ca 0.61 0.86 -0.31 0.00 0.04 0.00 0.00 61.00 62.19 1b77 s PRO 110 Cb -0.36 -1.60 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1b77 s PRO 110 CO 0.33 -3.44 1.55 0.54 0.04 0.00 0.00 177.00 176.03 1b77 s VAL 111 N -2.57 2.59 0.48 -0.36 0.11 -1.26 -4.93 120.40 114.46 1b77 s VAL 111 Ca 0.68 0.43 -0.24 0.00 -2.93 0.00 0.00 61.98 59.92 1b77 s VAL 111 Cb -0.24 -3.28 -0.07 0.00 -1.53 0.00 0.00 36.38 31.27 1b77 s VAL 111 CO 0.63 0.04 1.33 0.00 -3.33 0.00 0.00 175.10 173.77 1b77 s ALA 112 N 0.93 3.04 0.00 1.54 0.00 -1.26 -4.91 121.76 121.10 1b77 s ALA 112 Ca 0.68 1.28 -0.01 0.00 0.00 0.00 0.00 51.96 53.91 1b77 s ALA 112 Cb -0.44 -3.53 -0.27 0.00 0.00 0.00 0.00 23.12 18.89 1b77 s ALA 112 CO 0.34 -1.09 0.85 0.77 0.00 0.00 0.00 175.76 176.62 1b77 h SER 113 N 2.03 0.33 -4.48 0.00 0.02 -0.66 -3.47 113.55 107.32 1b77 h SER 113 Ca -0.50 -0.48 -0.11 0.00 -0.84 0.00 0.00 61.79 59.86 1b77 h SER 113 Cb 1.27 -0.11 -0.22 0.00 0.14 0.00 0.00 62.40 63.49 1b77 h SER 113 CO 0.60 1.40 -0.21 -0.69 -1.14 0.00 0.00 176.83 176.79 1b77 s VAL 114 N -2.62 0.03 -0.05 2.27 1.01 -0.88 -5.02 120.40 115.13 1b77 s VAL 114 Ca -0.08 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.74 1b77 s VAL 114 Cb 0.07 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1b77 s VAL 114 CO 0.85 -0.12 -0.23 -0.63 0.00 0.00 0.00 175.10 174.97 1b77 s ILE 115 N -0.61 1.88 0.00 2.22 1.01 -1.26 -0.87 121.20 123.58 1b77 s ILE 115 Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1b77 s ILE 115 Cb -0.04 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.84 1b77 s ILE 115 CO 0.03 0.53 0.00 1.07 0.00 0.00 0.00 174.94 176.57 1b77 n THR 116 N 3.01 0.00 -3.50 2.92 5.66 0.13 -4.99 114.28 117.51 1b77 n THR 116 Ca -0.18 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.69 1b77 n THR 116 Cb 0.52 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.26 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 -0.55 0.97 -0.05 1.09 -1.05 -1.26 0.78 118.70 118.63 1b77 s GLU 117 Ca 0.00 -0.05 0.02 0.00 -0.15 0.00 0.00 54.97 54.79 1b77 s GLU 117 Cb 0.00 0.45 0.01 0.00 -0.44 0.00 0.00 34.13 34.15 1b77 s GLU 117 CO 0.00 -0.36 -0.11 -1.50 0.95 0.00 0.00 175.26 174.24 1b77 s ILE 118 N -2.18 0.99 0.59 1.83 2.07 -0.42 -4.61 121.20 119.47 1b77 s ILE 118 Ca -0.03 -0.43 -0.11 0.00 -1.41 0.00 0.00 60.65 58.67 1b77 s ILE 118 Cb -0.01 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.65 1b77 s ILE 118 CO -0.01 0.31 0.99 -0.54 -1.91 0.00 0.00 174.94 173.78 1b77 s LYS 119 N 0.44 3.62 0.19 3.50 1.02 -1.26 -1.21 119.74 126.05 1b77 s LYS 119 Ca -0.09 0.69 -0.14 0.00 0.02 0.00 0.00 55.97 56.45 1b77 s LYS 119 Cb -0.13 -2.13 0.19 0.00 -0.52 0.00 0.00 37.83 35.25 1b77 s LYS 119 CO 0.02 -0.49 1.67 0.00 -0.92 0.00 0.00 175.35 175.63 1b77 h ALA 120 N -0.12 0.44 -0.37 5.17 0.00 -1.92 -0.14 119.26 122.31 1b77 h ALA 120 Ca -0.45 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1b77 h ALA 120 Cb 1.19 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1b77 h ALA 120 CO 0.62 -0.41 -0.17 0.93 0.00 0.00 0.00 179.25 180.21 1b77 h GLU 121 N 0.07 0.78 -0.34 0.00 5.08 -1.94 -0.63 114.58 117.59 1b77 h GLU 121 Ca 0.26 -0.34 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1b77 h GLU 121 Cb 0.40 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1b77 h GLU 121 CO -0.48 0.95 0.16 -0.44 -1.00 0.00 0.00 179.01 178.21 1b77 h ASP 122 N 0.57 0.22 -0.23 1.42 3.32 -1.85 0.42 116.42 120.29 1b77 h ASP 122 Ca 0.08 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1b77 h ASP 122 Cb 0.72 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1b77 h ASP 122 CO 0.05 0.17 0.14 0.25 -1.72 0.00 0.00 179.24 178.13 1b77 h LEU 123 N 0.33 0.27 -0.92 1.55 5.85 -0.94 -0.61 115.31 120.84 1b77 h LEU 123 Ca 0.15 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1b77 h LEU 123 Cb 0.07 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 1b77 h LEU 123 CO -0.11 0.22 0.57 -0.61 -0.34 0.00 0.00 178.44 178.17 1b77 h GLN 124 N 0.29 0.98 -0.32 1.25 4.15 -0.48 -1.36 115.11 119.62 1b77 h GLN 124 Ca 0.08 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 1b77 h GLN 124 Cb -0.01 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 1b77 h GLN 124 CO -0.02 0.65 -0.19 0.37 -1.93 0.00 0.00 178.83 177.71 1b77 h GLN 125 N 1.01 0.69 -0.51 1.69 4.15 0.36 -0.44 115.11 122.06 1b77 h GLN 125 Ca 0.42 -0.32 0.04 0.00 0.77 0.00 0.00 58.65 59.56 1b77 h GLN 125 Cb 0.25 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 1b77 h GLN 125 CO -0.20 0.92 0.26 1.25 -1.93 0.00 0.00 178.83 179.14 1b77 h LEU 126 N 0.45 0.39 -0.48 -2.39 5.85 -0.64 0.69 115.31 119.18 1b77 h LEU 126 Ca 0.07 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.66 1b77 h LEU 126 Cb 0.74 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1b77 h LEU 126 CO 0.05 0.27 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.98 1b77 h LEU 127 N 0.52 0.90 0.19 2.25 4.07 -1.21 -1.39 115.31 120.63 1b77 h LEU 127 Ca 0.22 -0.40 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 1b77 h LEU 127 Cb 0.12 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.61 1b77 h LEU 127 CO -0.15 1.17 -0.09 0.03 -1.08 0.00 0.00 178.44 178.32 1b77 h ARG 128 N 0.70 -0.24 0.00 1.13 2.47 -0.66 -3.27 114.38 114.50 1b77 h ARG 128 Ca 0.06 0.02 -0.13 0.00 -1.26 0.00 0.00 59.98 58.67 1b77 h ARG 128 Cb 0.94 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.29 1b77 h ARG 128 CO 0.09 0.06 -0.63 -0.24 0.56 0.00 0.00 179.97 179.80 1b77 h VAL 129 N -0.54 1.35 -0.76 2.04 3.04 -0.94 -3.25 116.25 117.18 1b77 h VAL 129 Ca -0.03 -2.24 0.09 0.00 -1.01 0.00 0.00 66.70 63.52 1b77 h VAL 129 Cb 0.41 2.24 -0.07 0.00 -2.01 0.00 0.00 31.29 31.86 1b77 h VAL 129 CO 0.04 0.62 0.41 0.28 -1.01 0.00 0.00 177.57 177.91 1b77 h SER 130 N 0.00 0.56 -0.11 3.17 0.02 -1.30 -1.25 113.55 114.64 1b77 h SER 130 Ca -0.01 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1b77 h SER 130 Cb 1.19 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 1b77 h SER 130 CO 0.08 0.32 -0.15 0.03 -1.14 0.00 0.00 176.83 175.97 1b77 h ARG 131 N 0.69 0.47 0.00 3.45 -0.00 -1.62 0.22 114.38 117.59 1b77 h ARG 131 Ca 0.37 -0.14 0.00 0.00 -0.50 0.00 0.00 59.98 59.71 1b77 h ARG 131 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.29 1b77 h ARG 131 CO -0.26 0.62 0.00 0.78 0.00 0.00 0.00 179.97 181.11 1b77 h GLY 132 N 0.93 0.00 -0.95 0.04 0.00 -1.34 -3.24 103.07 98.52 1b77 h GLY 132 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1b77 h GLY 132 CO 0.03 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.61 1b77 n LEU 133 N -3.01 3.03 -3.92 3.11 4.77 -0.75 -4.98 117.00 115.25 1b77 n LEU 133 Ca 0.04 -2.59 -0.28 0.00 -0.03 0.00 0.00 56.01 53.14 1b77 n LEU 133 Cb 0.48 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1b77 n LEU 133 CO 0.32 0.67 -0.02 0.00 -1.33 0.00 0.00 177.39 177.03 1b77 n GLN 134 N -0.41 -4.58 -2.76 3.23 3.00 -0.86 -4.87 117.38 110.13 1b77 n GLN 134 Ca 0.14 0.53 -0.43 0.00 -0.01 0.00 0.00 57.00 57.24 1b77 n GLN 134 Cb 0.61 -5.17 -0.03 0.00 0.00 0.00 0.00 30.24 25.65 1b77 n GLN 134 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1b77 s ILE 135 N -3.51 4.53 -1.54 5.09 1.01 0.72 -4.40 121.20 123.10 1b77 s ILE 135 Ca 0.40 1.27 0.15 0.00 0.00 0.00 0.00 60.65 62.47 1b77 s ILE 135 Cb -0.20 -4.38 0.03 0.00 0.01 0.00 0.00 42.46 37.92 1b77 s ILE 135 CO 0.85 -0.58 0.87 -0.90 0.00 0.00 0.00 174.94 175.18 1b77 n ASP 136 N 6.91 1.76 -3.70 3.58 5.75 -0.68 -4.67 116.55 125.50 1b77 n ASP 136 Ca 0.08 -1.38 -0.14 0.00 -0.01 0.00 0.00 54.79 53.35 1b77 n ASP 136 Cb 0.48 0.35 -0.09 0.00 -1.03 0.00 0.00 41.12 40.83 1b77 n ASP 136 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1b77 s THR 137 N -1.68 0.00 0.24 2.12 -4.23 -1.14 -1.31 115.64 109.64 1b77 s THR 137 Ca 0.14 -0.01 0.11 0.00 -1.18 0.00 0.00 61.69 60.75 1b77 s THR 137 Cb 0.12 -0.72 -0.05 0.00 1.34 0.00 0.00 72.50 73.20 1b77 s THR 137 CO 0.33 -0.01 -0.19 0.27 -0.54 0.00 0.00 174.62 174.49 1b77 s ILE 138 N 0.21 2.21 -0.06 2.99 -4.36 -0.45 -0.36 121.20 121.38 1b77 s ILE 138 Ca -0.00 -2.26 0.00 0.00 -0.26 0.00 0.00 60.65 58.13 1b77 s ILE 138 Cb -0.04 -2.17 0.02 0.00 1.25 0.00 0.00 42.46 41.53 1b77 s ILE 138 CO 0.01 -0.40 -0.05 0.00 0.24 0.00 0.00 174.94 174.74 1b77 s ALA 139 N -2.47 0.86 -0.32 2.27 0.00 0.62 -0.52 121.76 122.20 1b77 s ALA 139 Ca 0.25 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.89 1b77 s ALA 139 Cb -0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1b77 s ALA 139 CO 0.11 -0.17 0.26 0.42 0.00 0.00 0.00 175.76 176.39 1b77 s ILE 140 N 1.26 5.26 0.15 0.00 1.01 0.46 -0.74 121.20 128.61 1b77 s ILE 140 Ca -0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.57 1b77 s ILE 140 Cb -0.14 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1b77 s ILE 140 CO -0.02 0.04 0.04 0.28 0.00 0.00 0.00 174.94 175.28 1b77 s THR 141 N 1.81 0.30 -0.17 2.92 -1.32 0.36 -1.41 115.64 118.13 1b77 s THR 141 Ca 0.08 -1.94 -0.19 0.00 -1.21 0.00 0.00 61.69 58.43 1b77 s THR 141 Cb -0.17 -2.11 -0.03 0.00 -1.51 0.00 0.00 72.50 68.67 1b77 s THR 141 CO 0.11 -0.43 0.53 0.54 -2.21 0.00 0.00 174.62 173.16 1b77 s ASN 142 N -3.11 6.64 -0.15 8.08 4.22 -1.19 -0.23 114.94 129.20 1b77 s ASN 142 Ca 0.25 0.76 -0.08 0.00 -2.14 0.00 0.00 52.86 51.65 1b77 s ASN 142 Cb 0.07 -2.30 0.05 0.00 1.28 0.00 0.00 41.25 40.35 1b77 s ASN 142 CO 0.03 -0.13 0.36 -0.75 -2.04 0.00 0.00 177.10 174.57 1b77 s LYS 143 N 1.30 0.34 -1.64 3.55 2.20 0.12 -4.88 119.74 120.73 1b77 s LYS 143 Ca 0.26 0.68 -0.11 0.00 -0.36 0.00 0.00 55.97 56.45 1b77 s LYS 143 Cb -0.15 -0.03 0.10 0.00 -1.51 0.00 0.00 37.83 36.23 1b77 s LYS 143 CO 0.10 -0.15 0.45 -0.25 -0.36 0.00 0.00 175.35 175.15 1b77 n ASP 144 N 4.13 -1.17 -0.25 1.43 8.00 -1.26 -0.21 116.55 127.22 1b77 n ASP 144 Ca -0.23 -1.13 -0.03 0.00 0.71 0.00 0.00 54.79 54.10 1b77 n ASP 144 Cb 0.55 -2.26 -0.01 0.00 -0.02 0.00 0.00 41.12 39.38 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 -1.77 0.64 3.09 0.44 0.00 -1.26 -5.00 105.19 101.33 1b77 n GLY 145 Ca -0.11 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.82 0.62 -0.18 1.61 1.02 0.71 -0.10 119.74 121.60 1b77 s LYS 146 Ca 0.00 -1.22 -0.11 0.00 0.02 0.00 0.00 55.97 54.66 1b77 s LYS 146 Cb 0.00 0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 37.48 1b77 s LYS 146 CO 0.00 -0.12 0.19 0.42 -0.92 0.00 0.00 175.35 174.92 1b77 s ILE 147 N -3.92 5.37 0.12 2.17 -1.09 0.42 0.11 121.20 124.38 1b77 s ILE 147 Ca 0.07 0.33 0.05 0.00 -2.23 0.00 0.00 60.65 58.87 1b77 s ILE 147 Cb 0.08 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 1b77 s ILE 147 CO -0.10 0.43 -0.13 0.68 -1.23 0.00 0.00 174.94 174.59 1b77 s VAL 148 N 0.36 1.23 -0.23 2.92 -7.23 0.68 -1.18 120.40 116.95 1b77 s VAL 148 Ca 0.11 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1b77 s VAL 148 Cb -0.12 -1.48 0.01 0.00 0.56 0.00 0.00 36.38 35.35 1b77 s VAL 148 CO 0.00 -0.45 -0.07 -0.63 -0.31 0.00 0.00 175.10 173.64 1b77 s ILE 149 N -2.21 2.97 -0.10 -0.62 1.01 0.14 -0.49 121.20 121.89 1b77 s ILE 149 Ca 0.08 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 1b77 s ILE 149 Cb -0.04 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1b77 s ILE 149 CO 0.02 0.32 0.00 0.20 0.00 0.00 0.00 174.94 175.49 1b77 s ASN 150 N 1.38 5.23 -0.12 3.58 0.01 0.09 -0.95 114.94 124.16 1b77 s ASN 150 Ca 0.03 0.11 -0.02 0.00 -0.71 0.00 0.00 52.86 52.27 1b77 s ASN 150 Cb -0.15 -1.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.91 1b77 s ASN 150 CO -0.05 0.33 -0.03 -0.83 -1.51 0.00 0.00 177.10 175.01 1b77 s GLY 151 N -0.62 1.75 0.29 0.66 0.00 0.05 -0.28 107.32 109.17 1b77 s GLY 151 Ca 0.10 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 44.02 1b77 s GLY 151 CO 0.02 -0.33 0.07 -0.19 0.00 0.00 0.00 173.10 172.68 1b77 s TYR 152 N -0.20 1.75 -0.67 1.90 1.51 0.51 -0.75 117.35 121.41 1b77 s TYR 152 Ca 0.04 -1.06 -0.00 0.00 -1.01 0.00 0.00 57.07 55.04 1b77 s TYR 152 Cb -0.13 -1.09 0.17 0.00 -0.11 0.00 0.00 41.96 40.80 1b77 s TYR 152 CO 0.02 -0.15 0.48 1.21 -1.11 0.00 0.00 175.55 176.00 1b77 s ASN 153 N -3.40 5.14 0.41 2.29 3.84 -1.26 -1.68 114.94 120.27 1b77 s ASN 153 Ca 0.37 -3.20 0.22 0.00 0.21 0.00 0.00 52.86 50.47 1b77 s ASN 153 Cb 0.08 -1.79 1.23 0.00 -0.55 0.00 0.00 41.25 40.22 1b77 s ASN 153 CO 0.14 -0.26 1.69 0.50 -2.79 0.00 0.00 177.10 176.38 1b77 h LYS 154 N 6.50 0.25 0.23 0.43 1.63 -1.86 0.79 116.57 124.53 1b77 h LYS 154 Ca 0.03 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1b77 h LYS 154 Cb 0.89 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.44 1b77 h LYS 154 CO 0.73 0.16 -0.22 0.28 -3.45 0.00 0.00 179.45 176.95 1b77 h VAL 155 N 0.26 0.51 -0.04 2.00 2.07 -1.93 -2.31 116.25 116.80 1b77 h VAL 155 Ca 0.71 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.23 1b77 h VAL 155 Cb 1.97 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1b77 h VAL 155 CO -0.40 0.00 0.00 -1.84 0.02 0.00 0.00 177.57 175.35 1b77 n GLU 156 N -5.35 2.07 -3.14 1.57 0.28 -0.86 -4.39 120.64 110.82 1b77 n GLU 156 Ca -0.08 -1.56 -0.18 0.00 -0.16 0.00 0.00 57.16 55.17 1b77 n GLU 156 Cb 0.26 -1.47 -0.03 0.00 1.43 0.00 0.00 31.44 31.63 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 0.89 1.17 -0.46 -1.84 2.03 0.22 -4.97 116.55 113.59 1b77 n ASP 157 Ca 0.16 -3.06 0.41 0.00 0.52 0.00 0.00 54.79 52.83 1b77 n ASP 157 Cb 0.50 -0.61 0.70 0.00 -0.72 0.00 0.00 41.12 41.00 1b77 n ASP 157 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1b77 h SER 158 N 3.00 0.00 -0.18 1.67 0.87 -1.62 0.73 113.55 118.02 1b77 h SER 158 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1b77 h SER 158 Cb 0.94 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1b77 h SER 158 CO 0.53 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.44 1b77 n GLY 159 N -1.82 1.23 3.50 5.77 0.00 -1.26 -5.01 105.19 107.61 1b77 n GLY 159 Ca 0.33 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 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 1.34 -3.99 0.00 0.99 4.32 0.25 -4.93 117.00 114.98 1b77 n LEU 160 Ca 0.16 -0.86 0.00 0.00 -0.02 0.00 0.00 56.01 55.28 1b77 n LEU 160 Cb 0.58 -2.70 0.00 0.00 -1.62 0.00 0.00 43.42 39.67 1b77 n LEU 160 CO 0.15 0.26 0.16 0.35 -1.22 0.00 0.00 177.39 177.08 1b77 n THR 161 N -3.70 0.00 -3.75 -5.08 -2.24 -1.26 -4.89 114.28 93.35 1b77 n THR 161 Ca -0.08 -0.42 -0.29 0.00 -2.27 0.00 0.00 64.05 60.99 1b77 n THR 161 Cb 0.60 1.12 -0.13 0.00 -2.10 0.00 0.00 70.33 69.83 1b77 n THR 161 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1b77 s ARG 162 N -0.21 1.63 0.25 -0.78 0.52 -1.26 -5.10 118.95 114.00 1b77 s ARG 162 Ca 0.00 -2.44 -0.30 0.00 -0.52 0.00 0.00 55.73 52.47 1b77 s ARG 162 Cb 0.00 -2.64 -0.09 0.00 0.52 0.00 0.00 34.95 32.74 1b77 s ARG 162 CO 0.00 -1.21 1.29 -1.25 0.02 0.00 0.00 175.30 174.14 1b77 s PRO 163 N -0.22 4.41 -0.00 3.54 0.04 -1.26 -4.69 135.00 136.82 1b77 s PRO 163 Ca 0.21 2.08 0.22 0.00 0.04 0.00 0.00 61.00 63.55 1b77 s PRO 163 Cb -0.16 -3.15 -0.21 0.00 0.04 0.00 0.00 34.50 31.02 1b77 s PRO 163 CO -0.06 -0.18 0.82 1.63 0.04 0.00 0.00 177.00 179.25 1b77 n LYS 164 N 1.86 0.19 -3.72 4.56 5.02 0.08 -4.96 118.16 121.19 1b77 n LYS 164 Ca 0.03 -0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 1b77 n LYS 164 Cb 0.43 -1.51 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 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 -3.15 -0.24 -0.14 2.13 5.04 -1.20 -4.99 117.35 114.79 1b77 s TYR 165 Ca 0.04 0.35 -0.07 0.00 -2.44 0.00 0.00 57.07 54.94 1b77 s TYR 165 Cb 0.15 0.15 0.05 0.00 0.35 0.00 0.00 41.96 42.67 1b77 s TYR 165 CO 0.87 -0.45 0.34 0.45 -1.34 0.00 0.00 175.55 175.42 1b77 s SER 166 N -1.43 -0.38 -0.09 4.32 0.15 -1.26 -0.77 113.70 114.24 1b77 s SER 166 Ca -0.12 0.74 0.02 0.00 0.70 0.00 0.00 55.95 57.29 1b77 s SER 166 Cb -0.04 0.64 0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1b77 s SER 166 CO 0.04 -0.18 -0.12 -0.22 1.20 0.00 0.00 173.24 173.95 1b77 s LEU 167 N 1.41 1.57 -0.04 3.45 2.96 -0.12 -4.99 118.68 122.93 1b77 s LEU 167 Ca -0.09 -0.34 -0.21 0.00 -0.22 0.00 0.00 54.13 53.27 1b77 s LEU 167 Cb -0.09 -0.91 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 1b77 s LEU 167 CO -0.11 -0.00 0.61 -0.89 -1.32 0.00 0.00 176.35 174.64 1b77 s THR 168 N 0.98 4.98 0.00 3.68 2.01 -1.26 -0.69 115.64 125.34 1b77 s THR 168 Ca -0.08 1.27 0.00 0.00 0.31 0.00 0.00 61.69 63.18 1b77 s THR 168 Cb -0.15 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.41 1b77 s THR 168 CO -0.00 0.36 0.00 0.18 -0.69 0.00 0.00 174.62 174.46 1b77 n LEU 169 N 3.15 0.00 -4.63 4.42 4.77 -0.32 -4.99 117.00 119.40 1b77 n LEU 169 Ca -0.05 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.64 1b77 n LEU 169 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 1b77 n LEU 169 CO 0.45 0.00 -0.26 0.42 -1.33 0.00 0.00 177.39 176.67 1b77 s THR 170 N 0.00 1.34 0.33 -5.08 -4.23 -1.25 -4.95 115.64 101.80 1b77 s THR 170 Ca 0.00 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.26 1b77 s THR 170 Cb 0.00 -2.56 -0.10 0.00 1.34 0.00 0.00 72.50 71.18 1b77 s THR 170 CO 0.00 0.00 0.94 -1.81 -0.54 0.00 0.00 174.62 173.21 1b77 s ASP 171 N -3.72 7.30 -0.19 3.99 1.01 -1.26 -0.43 116.67 123.36 1b77 s ASP 171 Ca 0.23 1.81 -0.03 0.00 0.71 0.00 0.00 52.55 55.27 1b77 s ASP 171 Cb 0.06 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.47 1b77 s ASP 171 CO 0.12 -0.09 0.03 -0.47 0.21 0.00 0.00 175.17 174.97 1b77 s TYR 172 N -1.67 1.02 -2.29 4.23 5.04 0.85 -4.75 117.35 119.79 1b77 s TYR 172 Ca 0.51 -0.85 0.20 0.00 -2.44 0.00 0.00 57.07 54.50 1b77 s TYR 172 Cb -0.18 -1.02 0.29 0.00 0.35 0.00 0.00 41.96 41.41 1b77 s TYR 172 CO 0.23 -0.61 1.26 -0.25 -1.34 0.00 0.00 175.55 174.84 1b77 n ASP 173 N 5.05 3.04 -4.32 4.32 8.00 -1.26 -4.16 116.55 127.21 1b77 n ASP 173 Ca -0.09 -1.90 -0.29 0.00 0.71 0.00 0.00 54.79 53.21 1b77 n ASP 173 Cb 0.47 -0.14 0.24 0.00 -0.02 0.00 0.00 41.12 41.67 1b77 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b77 n GLY 174 N 1.23 -2.38 0.12 0.44 0.00 -1.26 -5.00 105.19 98.35 1b77 n GLY 174 Ca 0.15 -1.09 -0.18 0.00 0.00 0.00 0.00 46.02 44.90 1b77 n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1b77 n SER 175 N -3.89 1.78 -4.72 1.61 2.88 -1.26 -4.99 113.62 105.02 1b77 n SER 175 Ca 0.02 0.25 -0.29 0.00 -1.33 0.00 0.00 58.87 57.52 1b77 n SER 175 Cb 0.57 -0.63 0.14 0.00 -0.75 0.00 0.00 64.21 63.54 1b77 n SER 175 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1b77 s ASN 176 N -6.77 3.35 0.11 -3.46 0.01 -1.26 -5.09 114.94 101.83 1b77 s ASN 176 Ca -0.18 1.31 0.08 0.00 -0.71 0.00 0.00 52.86 53.36 1b77 s ASN 176 Cb 0.07 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.71 1b77 s ASN 176 CO 0.78 -2.69 -0.19 0.20 -1.51 0.00 0.00 177.10 173.69 1b77 s ASN 177 N -3.56 2.40 -0.14 -1.22 0.01 -1.26 -5.00 114.94 106.17 1b77 s ASN 177 Ca 0.64 -0.73 -0.30 0.00 -0.71 0.00 0.00 52.86 51.76 1b77 s ASN 177 Cb -0.17 -0.12 0.13 0.00 0.41 0.00 0.00 41.25 41.49 1b77 s ASN 177 CO 0.56 -0.00 1.03 0.72 -1.51 0.00 0.00 177.10 177.90 1b77 s PHE 178 N -1.46 -0.31 -0.42 2.20 -0.12 -1.26 -1.00 117.98 115.61 1b77 s PHE 178 Ca 0.07 0.41 0.04 0.00 -0.05 0.00 0.00 56.93 57.41 1b77 s PHE 178 Cb -0.09 0.48 0.17 0.00 -0.63 0.00 0.00 43.02 42.96 1b77 s PHE 178 CO 0.04 -0.35 0.41 1.21 -0.05 0.00 0.00 175.22 176.48 1b77 s ASN 179 N -1.59 0.95 -0.17 1.98 3.84 0.77 -3.18 114.94 117.54 1b77 s ASN 179 Ca 0.02 -2.60 -0.28 0.00 0.21 0.00 0.00 52.86 50.21 1b77 s ASN 179 Cb -0.01 0.11 -0.00 0.00 -0.55 0.00 0.00 41.25 40.80 1b77 s ASN 179 CO -0.03 -0.17 0.98 -0.36 -2.79 0.00 0.00 177.10 174.74 1b77 s PHE 180 N 0.43 3.42 -0.20 0.43 0.08 -0.50 -2.35 117.98 119.28 1b77 s PHE 180 Ca 0.30 1.46 -0.10 0.00 0.12 0.00 0.00 56.93 58.71 1b77 s PHE 180 Cb -0.01 -3.18 -0.05 0.00 -0.57 0.00 0.00 43.02 39.21 1b77 s PHE 180 CO -0.14 -0.34 0.13 0.08 -0.10 0.00 0.00 175.22 174.86 1b77 s VAL 181 N 2.56 5.41 -0.06 -0.44 1.01 -1.26 -0.40 120.40 127.22 1b77 s VAL 181 Ca 0.44 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.66 1b77 s VAL 181 Cb -0.16 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1b77 s VAL 181 CO 0.12 0.45 -0.17 -0.63 0.00 0.00 0.00 175.10 174.86 1b77 s ILE 182 N 0.31 1.50 -0.29 2.22 1.01 0.32 -0.66 121.20 125.61 1b77 s ILE 182 Ca 0.08 -0.72 -0.29 0.00 0.00 0.00 0.00 60.65 59.72 1b77 s ILE 182 Cb -0.11 -1.31 -0.00 0.00 0.01 0.00 0.00 42.46 41.05 1b77 s ILE 182 CO -0.02 0.43 1.33 0.21 0.00 0.00 0.00 174.94 176.90 1b77 s ASN 183 N 0.28 6.64 0.63 3.58 2.47 -1.26 -1.33 114.94 125.95 1b77 s ASN 183 Ca -0.10 1.25 0.30 0.00 0.42 0.00 0.00 52.86 54.72 1b77 s ASN 183 Cb -0.14 -2.54 1.60 0.00 -1.45 0.00 0.00 41.25 38.72 1b77 s ASN 183 CO 0.04 -1.10 1.95 -0.03 -3.72 0.00 0.00 177.10 174.25 1b77 h MET 184 N 9.43 0.00 0.00 0.43 1.85 -1.54 0.38 114.93 125.49 1b77 h MET 184 Ca -0.27 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.82 1b77 h MET 184 Cb 1.10 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.13 1b77 h MET 184 CO 1.03 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 177.54 1b77 n ALA 185 N -2.13 1.54 1.10 0.39 0.00 -1.26 -2.08 120.51 118.07 1b77 n ALA 185 Ca 0.02 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.66 1b77 n ALA 185 Cb 0.46 -1.34 0.17 0.00 0.00 0.00 0.00 19.45 18.75 1b77 n ALA 185 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1b77 n ASN 186 N -2.10 2.61 -3.13 0.00 3.02 0.13 -4.63 115.26 111.15 1b77 n ASN 186 Ca 0.02 -1.85 -0.35 0.00 -0.03 0.00 0.00 54.58 52.37 1b77 n ASN 186 Cb 0.18 0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.98 3.70 -0.84 3.52 2.81 -0.88 -4.73 117.12 121.69 1b77 n MET 187 Ca 0.14 -2.53 -0.09 0.00 -1.81 0.00 0.00 57.70 53.41 1b77 n MET 187 Cb 0.54 -2.58 -0.06 0.00 -0.71 0.00 0.00 33.22 30.41 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 2.50 1.62 -2.93 0.03 4.76 -1.26 -4.90 118.16 117.98 1b77 n LYS 188 Ca 0.66 -0.81 -0.41 0.00 -2.87 0.00 0.00 58.31 54.88 1b77 n LYS 188 Cb 0.35 -1.57 -0.04 0.00 -1.84 0.00 0.00 35.03 31.93 1b77 n LYS 188 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1b77 s ILE 189 N -0.15 4.90 0.70 -0.18 1.09 -1.26 -4.97 121.20 121.33 1b77 s ILE 189 Ca 0.35 1.57 -0.13 0.00 -1.10 0.00 0.00 60.65 61.33 1b77 s ILE 189 Cb 0.19 -4.11 0.02 0.00 -1.06 0.00 0.00 42.46 37.50 1b77 s ILE 189 CO -0.02 0.05 1.11 0.00 -0.10 0.00 0.00 174.94 175.97 1b77 s GLN 190 N 2.07 2.60 0.36 2.79 -2.07 -1.26 -4.94 119.66 119.21 1b77 s GLN 190 Ca 0.37 1.32 -0.27 0.00 -1.82 0.00 0.00 55.36 54.96 1b77 s GLN 190 Cb -0.16 -1.93 -0.12 0.00 -1.09 0.00 0.00 33.01 29.71 1b77 s GLN 190 CO 0.12 -1.40 1.21 -0.35 -1.32 0.00 0.00 175.29 173.56 1b77 n PRO 191 N -2.80 1.88 -3.17 9.60 -0.04 -1.26 -4.93 135.00 134.28 1b77 n PRO 191 Ca 0.10 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1b77 n PRO 191 Cb 0.52 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 1b77 n PRO 191 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b77 n GLY 192 N 0.89 -2.08 3.77 0.55 0.00 -1.26 -5.09 105.19 101.97 1b77 n GLY 192 Ca 0.06 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.15 6.54 0.02 1.61 0.01 -1.26 -3.15 114.94 118.56 1b77 s ASN 193 Ca 0.00 0.64 0.04 0.00 -0.71 0.00 0.00 52.86 52.84 1b77 s ASN 193 Cb 0.00 -2.20 -0.02 0.00 0.41 0.00 0.00 41.25 39.45 1b77 s ASN 193 CO 0.00 0.18 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.33 1b77 s TYR 194 N -0.06 1.14 -0.16 2.20 1.51 -0.35 -4.31 117.35 117.32 1b77 s TYR 194 Ca 0.19 -0.30 -0.20 0.00 -1.01 0.00 0.00 57.07 55.76 1b77 s TYR 194 Cb -0.14 -0.70 -0.03 0.00 -0.11 0.00 0.00 41.96 40.98 1b77 s TYR 194 CO 0.07 0.01 0.57 0.21 -1.11 0.00 0.00 175.55 175.30 1b77 s LYS 195 N -0.80 4.27 -0.30 -0.62 2.20 0.69 -1.30 119.74 123.88 1b77 s LYS 195 Ca 0.02 0.56 -0.08 0.00 -0.36 0.00 0.00 55.97 56.11 1b77 s LYS 195 Cb -0.07 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 1b77 s LYS 195 CO 0.01 -0.07 0.12 0.08 -0.36 0.00 0.00 175.35 175.12 1b77 s VAL 196 N 1.36 4.28 -0.26 4.02 1.01 0.23 -1.02 120.40 130.02 1b77 s VAL 196 Ca 0.28 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 1b77 s VAL 196 Cb -0.16 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 1b77 s VAL 196 CO 0.11 0.06 0.02 -0.04 0.00 0.00 0.00 175.10 175.25 1b77 s MET 197 N 1.55 3.25 -0.13 2.72 -1.94 0.24 0.21 119.30 125.21 1b77 s MET 197 Ca 0.03 -0.73 -0.05 0.00 -1.71 0.00 0.00 55.69 53.24 1b77 s MET 197 Cb -0.17 -3.19 -0.04 0.00 2.01 0.00 0.00 34.83 33.44 1b77 s MET 197 CO 0.04 -0.31 0.06 -0.51 -0.01 0.00 0.00 175.02 174.29 1b77 s LEU 198 N 1.49 3.88 -0.02 -0.03 1.43 -0.05 -0.60 118.68 124.78 1b77 s LEU 198 Ca 0.04 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1b77 s LEU 198 Cb -0.16 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1b77 s LEU 198 CO -0.00 0.32 -0.06 0.86 0.23 0.00 0.00 176.35 177.71 1b77 s TRP 199 N -0.53 0.65 -0.05 0.29 -0.00 -0.39 0.14 118.94 119.06 1b77 s TRP 199 Ca 0.10 -0.15 -0.02 0.00 -0.00 0.00 0.00 56.10 56.04 1b77 s TRP 199 Cb -0.12 -0.50 0.03 0.00 -0.00 0.00 0.00 33.47 32.89 1b77 s TRP 199 CO 0.02 -0.08 0.10 0.20 -0.00 0.00 0.00 176.95 177.19 1b77 s GLY 200 N 0.31 0.01 -0.35 5.86 0.00 -1.26 -1.43 107.32 110.45 1b77 s GLY 200 Ca -0.04 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.23 1b77 s GLY 200 CO -0.00 0.86 0.30 0.00 0.00 0.00 0.00 173.10 174.26 1b77 s ALA 201 N 1.10 0.08 0.00 3.20 0.00 0.35 -4.82 121.76 121.66 1b77 s ALA 201 Ca -0.09 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1b77 s ALA 201 Cb -0.12 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1b77 s ALA 201 CO -0.05 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.05 1b77 n GLY 202 N 4.32 2.04 0.00 0.00 0.00 -1.26 -2.14 105.19 108.15 1b77 n GLY 202 Ca 0.09 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.86 1b77 n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b77 n ASP 203 N 6.03 0.00 -4.53 1.61 5.75 -1.26 -4.75 116.55 119.40 1b77 n ASP 203 Ca 0.00 -1.14 -0.36 0.00 -0.01 0.00 0.00 54.79 53.27 1b77 n ASP 203 Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 1b77 n ASP 203 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1b77 s LYS 204 N -2.00 3.80 -0.00 0.11 1.02 -0.91 -5.02 119.74 116.74 1b77 s LYS 204 Ca 0.38 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.98 1b77 s LYS 204 Cb 0.17 -3.36 -0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1b77 s LYS 204 CO 0.29 -0.06 -0.05 0.14 -0.92 0.00 0.00 175.35 174.76 1b77 s VAL 205 N 1.31 0.35 0.18 3.17 -7.23 -1.26 -0.50 120.40 116.42 1b77 s VAL 205 Ca 0.05 -0.20 -0.19 0.00 -1.81 0.00 0.00 61.98 59.83 1b77 s VAL 205 Cb -0.15 -0.30 0.04 0.00 0.56 0.00 0.00 36.38 36.53 1b77 s VAL 205 CO 0.04 0.09 0.53 0.00 -0.31 0.00 0.00 175.10 175.46 1b77 s ALA 206 N -0.12 -1.11 0.05 1.32 0.00 -0.52 -2.59 121.76 118.79 1b77 s ALA 206 Ca 0.02 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 51.99 1b77 s ALA 206 Cb -0.02 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 1b77 s ALA 206 CO -0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 175.76 174.89 1b77 s ALA 207 N -3.83 0.72 -0.07 0.00 0.00 -0.16 -1.26 121.76 117.15 1b77 s ALA 207 Ca 0.06 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1b77 s ALA 207 Cb -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1b77 s ALA 207 CO -0.07 0.04 -0.12 0.21 0.00 0.00 0.00 175.76 175.83 1b77 s LYS 208 N -1.50 1.64 -0.22 0.00 2.20 0.24 -0.51 119.74 121.59 1b77 s LYS 208 Ca -0.07 -0.39 -0.02 0.00 -0.36 0.00 0.00 55.97 55.13 1b77 s LYS 208 Cb -0.09 -1.39 0.01 0.00 -1.51 0.00 0.00 37.83 34.85 1b77 s LYS 208 CO 0.01 0.00 -0.08 -0.06 -0.36 0.00 0.00 175.35 174.86 1b77 s PHE 209 N 0.74 2.95 -0.09 4.03 0.40 0.28 -0.59 117.98 125.71 1b77 s PHE 209 Ca -0.13 -1.29 0.04 0.00 -0.60 0.00 0.00 56.93 54.95 1b77 s PHE 209 Cb -0.16 -2.05 0.00 0.00 0.51 0.00 0.00 43.02 41.33 1b77 s PHE 209 CO 0.03 -0.66 -0.21 -2.00 0.70 0.00 0.00 175.22 173.07 1b77 s GLU 210 N 1.39 2.69 0.49 0.44 2.12 -0.19 -0.40 118.70 125.24 1b77 s GLU 210 Ca 0.04 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.60 1b77 s GLU 210 Cb -0.15 -2.08 -0.00 0.00 0.26 0.00 0.00 34.13 32.16 1b77 s GLU 210 CO -0.06 0.16 0.03 -1.13 -0.54 0.00 0.00 175.26 173.73 1b77 n SER 211 N 3.54 2.94 0.11 -1.70 3.41 -0.36 -0.22 113.62 121.32 1b77 n SER 211 Ca -0.20 -3.24 0.12 0.00 -0.26 0.00 0.00 58.87 55.29 1b77 n SER 211 Cb 0.53 0.51 0.46 0.00 -0.26 0.00 0.00 64.21 65.45 1b77 n SER 211 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1b77 n SER 212 N -1.36 0.63 -0.08 4.04 3.41 -1.26 -3.85 113.62 115.14 1b77 n SER 212 Ca -0.18 0.62 -0.11 0.00 -0.26 0.00 0.00 58.87 58.94 1b77 n SER 212 Cb 0.64 -0.76 -0.08 0.00 -0.26 0.00 0.00 64.21 63.75 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 -2.15 0.54 -3.92 4.33 6.02 -1.26 -5.03 117.38 115.90 1b77 n GLN 213 Ca 0.04 0.09 -0.10 0.00 -0.01 0.00 0.00 57.00 57.02 1b77 n GLN 213 Cb 0.29 -1.33 -0.10 0.00 1.02 0.00 0.00 30.24 30.12 1b77 n GLN 213 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1b77 s VAL 214 N -2.33 0.12 -0.09 5.09 1.01 -1.25 -4.50 120.40 118.45 1b77 s VAL 214 Ca -0.21 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 60.85 1b77 s VAL 214 Cb 0.06 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1b77 s VAL 214 CO 0.40 -0.53 -0.21 -0.44 0.00 0.00 0.00 175.10 174.32 1b77 s SER 215 N -1.79 2.72 0.05 3.32 0.01 -0.82 -1.23 113.70 115.96 1b77 s SER 215 Ca -0.10 -0.48 0.09 0.00 1.31 0.00 0.00 55.95 56.77 1b77 s SER 215 Cb -0.05 -1.21 -0.03 0.00 0.21 0.00 0.00 66.02 64.94 1b77 s SER 215 CO -0.02 0.13 -0.26 -0.31 0.41 0.00 0.00 173.24 173.19 1b77 s TYR 216 N 0.40 2.28 -0.16 2.43 1.51 0.46 -2.01 117.35 122.26 1b77 s TYR 216 Ca -0.17 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1b77 s TYR 216 Cb -0.17 -1.36 0.03 0.00 -0.11 0.00 0.00 41.96 40.35 1b77 s TYR 216 CO 0.07 0.14 -0.13 0.08 -1.11 0.00 0.00 175.55 174.60 1b77 s VAL 217 N -0.83 1.57 -0.10 0.71 1.01 -0.40 -0.56 120.40 121.81 1b77 s VAL 217 Ca 0.12 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1b77 s VAL 217 Cb -0.10 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1b77 s VAL 217 CO 0.02 0.40 -0.23 -0.63 0.00 0.00 0.00 175.10 174.66 1b77 s ILE 218 N 1.48 2.10 0.43 2.22 1.01 0.34 -0.64 121.20 128.14 1b77 s ILE 218 Ca 0.04 -1.00 -0.24 0.00 0.00 0.00 0.00 60.65 59.44 1b77 s ILE 218 Cb -0.13 -1.80 -0.08 0.00 0.01 0.00 0.00 42.46 40.45 1b77 s ILE 218 CO -0.10 0.56 1.17 0.00 0.00 0.00 0.00 174.94 176.57 1b77 s ALA 219 N 0.38 3.08 0.28 9.38 0.00 -0.42 -0.99 121.76 133.46 1b77 s ALA 219 Ca -0.18 0.97 0.07 0.00 0.00 0.00 0.00 51.96 52.82 1b77 s ALA 219 Cb -0.18 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1b77 s ALA 219 CO 0.08 -0.60 0.27 -1.64 0.00 0.00 0.00 175.76 173.87 1b77 s MET 220 N -2.47 2.96 0.73 0.00 1.00 -1.07 -4.74 119.30 115.70 1b77 s MET 220 Ca 0.60 -1.07 -0.12 0.00 0.00 0.00 0.00 55.69 55.09 1b77 s MET 220 Cb -0.30 -2.61 0.03 0.00 0.00 0.00 0.00 34.83 31.95 1b77 s MET 220 CO 0.37 0.29 1.09 -1.21 0.00 0.00 0.00 175.02 175.57 1b77 s GLU 221 N -3.93 2.49 0.46 2.03 0.41 0.17 -4.82 118.70 115.50 1b77 s GLU 221 Ca 0.36 1.22 0.22 0.00 -0.41 0.00 0.00 54.97 56.36 1b77 s GLU 221 Cb -0.08 -1.92 1.13 0.00 -1.78 0.00 0.00 34.13 31.48 1b77 s GLU 221 CO 0.27 -1.47 1.96 0.00 -0.49 0.00 0.00 175.26 175.53 1b77 h ALA 222 N -0.71 1.31 -0.01 5.21 0.00 -1.95 -2.30 119.26 120.81 1b77 h ALA 222 Ca -0.45 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1b77 h ALA 222 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1b77 h ALA 222 CO 0.53 0.26 0.00 -0.40 0.00 0.00 0.00 179.25 179.64 1b77 n ASP 223 N -3.80 0.06 -4.79 0.00 5.75 -1.26 -4.82 116.55 107.69 1b77 n ASP 223 Ca -0.02 -1.89 -0.33 0.00 -0.01 0.00 0.00 54.79 52.54 1b77 n ASP 223 Cb 0.31 -0.01 0.02 0.00 -1.03 0.00 0.00 41.12 40.41 1b77 n ASP 223 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1b77 s SER 224 N -1.11 5.63 -0.06 -1.12 0.01 -0.87 -4.85 113.70 111.34 1b77 s SER 224 Ca 0.06 1.88 -0.08 0.00 1.31 0.00 0.00 55.95 59.12 1b77 s SER 224 Cb 0.03 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.73 1b77 s SER 224 CO 0.04 -1.27 0.21 0.42 0.41 0.00 0.00 173.24 173.05 1b77 s THR 225 N -2.38 0.02 0.18 1.44 -4.23 -0.99 -4.99 115.64 104.68 1b77 s THR 225 Ca 0.65 -0.19 -0.14 0.00 -1.18 0.00 0.00 61.69 60.83 1b77 s THR 225 Cb -0.17 -0.36 0.01 0.00 1.34 0.00 0.00 72.50 73.31 1b77 s THR 225 CO 0.37 -0.10 0.42 -1.38 -0.54 0.00 0.00 174.62 173.39 1b77 s HIS 226 N -0.33 0.07 -0.12 3.99 -3.43 -1.26 -0.16 115.29 114.04 1b77 s HIS 226 Ca -0.04 -0.42 0.17 0.00 -0.80 0.00 0.00 55.06 53.97 1b77 s HIS 226 Cb -0.03 0.21 -0.19 0.00 -1.43 0.00 0.00 32.58 31.14 1b77 s HIS 226 CO 0.01 -0.82 0.63 -0.25 -2.00 0.00 0.00 174.74 172.31 1b77 n ASP 227 N -0.28 0.59 0.00 7.38 9.92 -0.17 -4.97 116.55 129.01 1b77 n ASP 227 Ca -0.10 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1b77 n ASP 227 Cb 0.63 0.55 0.00 0.00 -0.64 0.00 0.00 41.12 41.65 1b77 n ASP 227 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82