#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 n GLU 2 N 0.00 1.40 -2.50 0.03 0.00 -1.26 -4.47 120.64 113.84 1vs6 n GLU 2 Ca 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 57.16 54.84 1vs6 n GLU 2 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 31.44 27.76 1vs6 n GLU 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1vs6 n THR 3 N 7.81 -1.42 -0.95 6.31 5.66 -1.26 -4.38 114.28 126.06 1vs6 n THR 3 Ca 0.45 0.33 0.00 0.00 -3.05 0.00 0.00 64.05 61.78 1vs6 n THR 3 Cb 0.46 -2.22 0.00 0.00 -1.55 0.00 0.00 70.33 67.02 1vs6 n THR 3 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1vs6 n ILE 4 N 1.23 0.00 0.00 1.09 2.08 -1.26 -3.19 119.36 119.30 1vs6 n ILE 4 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1vs6 n ILE 4 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.22 1vs6 n ILE 4 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1vs6 n ALA 5 N -3.00 0.00 0.00 -1.39 0.00 -1.22 -4.36 120.51 110.55 1vs6 n ALA 5 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vs6 n ALA 5 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vs6 n ALA 5 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1vs6 n LYS 6 N 0.00 0.00 0.00 0.00 2.85 -1.26 -4.90 118.16 114.85 1vs6 n LYS 6 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vs6 n LYS 6 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1vs6 n LYS 6 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1vs6 n HIS 7 N 0.00 0.00 -3.17 5.58 -0.00 -1.26 -4.34 115.22 112.03 1vs6 n HIS 7 Ca 0.00 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.23 1vs6 n HIS 7 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 1vs6 n HIS 7 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1vs6 s ARG 8 N 1.04 0.05 0.00 1.57 1.81 -1.26 -4.89 118.95 117.27 1vs6 s ARG 8 Ca 0.00 0.11 0.00 0.00 -1.72 0.00 0.00 55.73 54.12 1vs6 s ARG 8 Cb 0.00 0.06 0.00 0.00 -0.45 0.00 0.00 34.95 34.56 1vs6 s ARG 8 CO 0.00 -0.04 0.00 0.72 -0.68 0.00 0.00 175.30 175.30 1vs6 n HIS 9 N 5.15 0.00 0.00 -0.53 8.25 0.62 -4.84 115.22 123.86 1vs6 n HIS 9 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1vs6 n HIS 9 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 1vs6 n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vs6 n ALA 10 N 0.03 0.00 -1.57 -1.41 0.00 -1.24 0.13 120.51 116.45 1vs6 n ALA 10 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vs6 n ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vs6 n ALA 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1vs6 n ARG 11 N 0.00 -0.06 -0.01 0.00 0.00 -1.26 -4.97 116.66 110.36 1vs6 n ARG 11 Ca 0.00 0.48 0.00 0.00 -0.00 0.00 0.00 57.85 58.33 1vs6 n ARG 11 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 32.46 30.78 1vs6 n ARG 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1vs6 n SER 12 N -1.10 0.00 -1.40 6.15 2.88 -1.26 -5.00 113.62 113.89 1vs6 n SER 12 Ca -0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 1vs6 n SER 12 Cb 0.50 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1vs6 n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1vs6 n SER 13 N 0.00 -7.65 0.00 -3.46 3.41 -1.24 -4.23 113.62 100.46 1vs6 n SER 13 Ca 0.00 1.29 -0.00 0.00 -0.26 0.00 0.00 58.87 59.90 1vs6 n SER 13 Cb 0.50 -4.23 -0.00 0.00 -0.26 0.00 0.00 64.21 60.22 1vs6 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vs6 h ALA 14 N 1.02 -0.95 -0.78 7.33 0.00 -1.87 -2.52 119.26 121.48 1vs6 h ALA 14 Ca 0.00 -0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.18 1vs6 h ALA 14 Cb 0.29 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.99 1vs6 h ALA 14 CO 0.00 -0.95 0.22 0.94 0.00 0.00 0.00 179.25 179.47 1vs6 n GLN 15 N -2.06 -0.05 0.43 0.00 7.27 -1.26 0.16 117.38 121.86 1vs6 n GLN 15 Ca -0.00 1.12 -0.19 0.00 0.07 0.00 0.00 57.00 58.01 1vs6 n GLN 15 Cb 0.00 -1.90 -0.09 0.00 2.41 0.00 0.00 30.24 30.66 1vs6 n GLN 15 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1vs6 h LYS 16 N 0.00 -1.04 -0.13 3.69 6.56 -1.73 -2.89 116.57 121.03 1vs6 h LYS 16 Ca 0.57 0.07 -0.13 0.00 -1.06 0.00 0.00 60.65 60.10 1vs6 h LYS 16 Cb 1.37 0.24 -0.01 0.00 -0.57 0.00 0.00 32.23 33.26 1vs6 h LYS 16 CO -0.67 -0.68 -0.49 -0.39 -2.06 0.00 0.00 179.45 175.15 1vs6 h VAL 17 N -1.12 1.34 -0.01 0.50 -1.51 0.30 -2.97 116.25 112.78 1vs6 h VAL 17 Ca -0.11 -1.72 0.00 0.00 -1.23 0.00 0.00 66.70 63.64 1vs6 h VAL 17 Cb 0.83 1.78 -0.00 0.00 -2.13 0.00 0.00 31.29 31.77 1vs6 h VAL 17 CO 0.18 0.52 0.01 -0.09 -1.23 0.00 0.00 177.57 176.96 1vs6 h ARG 18 N 0.27 0.00 0.31 5.19 9.65 0.15 -2.10 114.38 127.85 1vs6 h ARG 18 Ca 0.01 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 1vs6 h ARG 18 Cb 0.97 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 1vs6 h ARG 18 CO 0.08 0.00 -0.15 1.25 2.80 0.00 0.00 179.97 183.95 1vs6 h LEU 19 N 0.00 -0.36 -1.55 3.80 5.85 -1.33 -3.21 115.31 118.51 1vs6 h LEU 19 Ca 0.00 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1vs6 h LEU 19 Cb 0.02 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1vs6 h LEU 19 CO -0.00 0.07 -0.23 -0.37 -0.34 0.00 0.00 178.44 177.58 1vs6 h VAL 20 N -0.88 0.85 -0.30 1.05 -1.51 -1.62 -3.05 116.25 110.79 1vs6 h VAL 20 Ca -0.04 -0.88 0.03 0.00 -1.23 0.00 0.00 66.70 64.57 1vs6 h VAL 20 Cb 0.52 1.52 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 1vs6 h VAL 20 CO 0.07 0.22 0.13 0.00 -1.23 0.00 0.00 177.57 176.76 1vs6 h ALA 21 N 1.77 0.36 -0.89 5.19 0.00 -1.41 -1.93 119.26 122.35 1vs6 h ALA 21 Ca -0.00 0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.11 1vs6 h ALA 21 Cb 0.50 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1vs6 h ALA 21 CO 0.03 -0.27 0.58 -0.44 0.00 0.00 0.00 179.25 179.15 1vs6 h ASP 22 N 0.27 0.53 -0.81 0.00 3.32 -1.54 -0.18 116.42 118.02 1vs6 h ASP 22 Ca 0.13 0.04 0.23 0.00 0.02 0.00 0.00 57.03 57.46 1vs6 h ASP 22 Cb 0.08 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1vs6 h ASP 22 CO -0.12 0.24 0.58 -0.07 -1.72 0.00 0.00 179.24 178.15 1vs6 h LEU 23 N 0.54 0.01 -8.36 1.55 3.38 -1.46 -3.40 115.31 107.57 1vs6 h LEU 23 Ca 0.46 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.78 1vs6 h LEU 23 Cb 0.95 -0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.38 1vs6 h LEU 23 CO -0.20 0.00 -0.87 0.27 0.09 0.00 0.00 178.44 177.73 1vs6 s ILE 24 N -4.99 1.89 -1.52 1.22 -4.36 -0.08 -5.04 121.20 108.31 1vs6 s ILE 24 Ca -0.05 -0.95 0.00 0.00 -0.26 0.00 0.00 60.65 59.39 1vs6 s ILE 24 Cb 0.21 -1.61 0.00 0.00 1.25 0.00 0.00 42.46 42.31 1vs6 s ILE 24 CO 0.76 0.53 0.00 -1.14 0.24 0.00 0.00 174.94 175.33 1vs6 n ARG 25 N 3.20 -2.66 0.00 0.37 0.63 -1.26 -4.89 116.66 112.04 1vs6 n ARG 25 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 1vs6 n ARG 25 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1vs6 n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1vs6 n GLY 26 N -0.21 1.09 0.00 5.14 0.00 -1.25 -3.08 105.19 106.88 1vs6 n GLY 26 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1vs6 n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vs6 n LYS 27 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.30 118.16 118.22 1vs6 n LYS 27 Ca 0.00 0.36 0.00 0.00 -0.51 0.00 0.00 58.31 58.16 1vs6 n LYS 27 Cb 0.00 -1.32 0.00 0.00 -0.51 0.00 0.00 35.03 33.20 1vs6 n LYS 27 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1vs6 n LYS 28 N -1.53 0.00 0.00 1.97 0.00 -1.18 -4.41 118.16 113.02 1vs6 n LYS 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1vs6 n LYS 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1vs6 n LYS 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1vs6 n VAL 29 N 0.00 0.00 0.00 3.15 0.31 -1.26 -2.60 118.33 117.93 1vs6 n VAL 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1vs6 n VAL 29 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1vs6 n VAL 29 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1vs6 n SER 30 N 2.52 0.00 -2.15 4.52 7.64 -1.26 -0.70 113.62 124.20 1vs6 n SER 30 Ca 0.00 0.27 -0.19 0.00 1.01 0.00 0.00 58.87 59.96 1vs6 n SER 30 Cb 0.00 -0.27 0.21 0.00 -1.01 0.00 0.00 64.21 63.14 1vs6 n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vs6 n GLN 31 N -1.25 2.60 0.31 1.43 1.13 -1.07 -4.52 117.38 116.01 1vs6 n GLN 31 Ca 0.00 -2.94 0.13 0.00 -1.94 0.00 0.00 57.00 52.24 1vs6 n GLN 31 Cb 0.02 -2.16 0.67 0.00 0.11 0.00 0.00 30.24 28.88 1vs6 n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1vs6 h ALA 32 N 1.46 1.38 -3.00 -1.58 0.00 -1.22 -3.41 119.26 112.90 1vs6 h ALA 32 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1vs6 h ALA 32 Cb 2.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.49 1vs6 h ALA 32 CO 0.99 -0.38 0.00 1.28 0.00 0.00 0.00 179.25 181.14 1vs6 n LEU 33 N -2.73 0.00 0.00 0.00 7.99 -1.26 -4.64 117.00 116.35 1vs6 n LEU 33 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 1vs6 n LEU 33 Cb 0.44 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.75 1vs6 n LEU 33 CO 0.11 0.00 0.00 0.47 -1.51 0.00 0.00 177.39 176.46 1vs6 n ASP 34 N 0.00 0.00 -0.08 -1.43 8.00 -1.26 -3.20 116.55 118.58 1vs6 n ASP 34 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 1vs6 n ASP 34 Cb 0.00 0.00 0.63 0.00 -0.02 0.00 0.00 41.12 41.73 1vs6 n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vs6 n ILE 35 N 0.00 0.00 0.00 0.53 3.06 -1.26 -2.76 119.36 118.92 1vs6 n ILE 35 Ca 0.00 -0.04 0.00 0.00 -2.50 0.00 0.00 62.75 60.21 1vs6 n ILE 35 Cb 0.00 -0.19 0.00 0.00 0.54 0.00 0.00 39.64 39.99 1vs6 n ILE 35 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1vs6 n LEU 36 N -1.06 1.50 0.10 9.51 4.77 -1.19 -4.74 117.00 125.89 1vs6 n LEU 36 Ca 0.14 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.23 1vs6 n LEU 36 Cb 0.27 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.82 1vs6 n LEU 36 CO 0.24 0.21 0.83 1.07 -1.33 0.00 0.00 177.39 178.41 1vs6 n THR 37 N -2.42 0.87 -2.17 -5.08 5.66 -1.26 -3.07 114.28 106.82 1vs6 n THR 37 Ca 0.00 0.24 -0.28 0.00 -3.05 0.00 0.00 64.05 60.96 1vs6 n THR 37 Cb 0.36 -1.13 0.02 0.00 -1.55 0.00 0.00 70.33 68.02 1vs6 n THR 37 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1vs6 n TYR 38 N -2.09 3.13 -3.26 1.09 4.01 -1.11 -4.81 117.16 114.11 1vs6 n TYR 38 Ca 0.02 -2.72 -0.06 0.00 -0.16 0.00 0.00 57.90 54.99 1vs6 n TYR 38 Cb 0.22 -0.41 -0.04 0.00 -0.31 0.00 0.00 39.34 38.80 1vs6 n TYR 38 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1vs6 s THR 39 N -5.11 -0.73 -0.58 -0.72 -4.23 -1.17 -4.96 115.64 98.13 1vs6 s THR 39 Ca 0.51 -0.28 -0.24 0.00 -1.18 0.00 0.00 61.69 60.50 1vs6 s THR 39 Cb 0.42 -0.77 0.05 0.00 1.34 0.00 0.00 72.50 73.54 1vs6 s THR 39 CO -0.12 -0.22 0.95 0.21 -0.54 0.00 0.00 174.62 174.90 1vs6 s ASN 40 N 2.31 6.30 -0.17 3.99 3.84 -1.26 -4.72 114.94 125.24 1vs6 s ASN 40 Ca 0.12 -0.48 -0.19 0.00 0.21 0.00 0.00 52.86 52.52 1vs6 s ASN 40 Cb -0.11 -2.44 0.05 0.00 -0.55 0.00 0.00 41.25 38.21 1vs6 s ASN 40 CO -0.21 -1.28 0.51 -0.54 -2.79 0.00 0.00 177.10 172.78 1vs6 s LYS 41 N 4.02 0.64 0.29 0.43 1.02 -1.26 -5.04 119.74 119.84 1vs6 s LYS 41 Ca 0.29 0.60 0.03 0.00 0.02 0.00 0.00 55.97 56.91 1vs6 s LYS 41 Cb -0.13 0.31 0.70 0.00 -0.52 0.00 0.00 37.83 38.18 1vs6 s LYS 41 CO 0.17 -0.10 1.72 -0.22 -0.92 0.00 0.00 175.35 176.00 1vs6 h LYS 42 N 5.02 0.48 -0.84 1.68 3.64 -1.98 0.15 116.57 124.72 1vs6 h LYS 42 Ca -0.28 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.17 1vs6 h LYS 42 Cb 1.17 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.82 1vs6 h LYS 42 CO 0.22 0.32 0.55 0.00 -2.27 0.00 0.00 179.45 178.26 1vs6 h ALA 43 N 1.67 1.70 0.13 5.00 0.00 -1.93 -2.62 119.26 123.22 1vs6 h ALA 43 Ca 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1vs6 h ALA 43 Cb 0.97 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1vs6 h ALA 43 CO -0.47 0.12 -0.13 0.00 0.00 0.00 0.00 179.25 178.77 1vs6 h ALA 44 N 1.58 -0.25 -0.09 0.00 0.00 -0.98 -1.68 119.26 117.84 1vs6 h ALA 44 Ca 0.39 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1vs6 h ALA 44 Cb 0.44 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1vs6 h ALA 44 CO -0.16 -0.66 0.08 0.28 0.00 0.00 0.00 179.25 178.79 1vs6 h VAL 45 N -0.29 0.76 0.06 0.00 2.07 -1.44 -2.00 116.25 115.42 1vs6 h VAL 45 Ca 0.01 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.26 1vs6 h VAL 45 Cb 0.27 0.94 0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1vs6 h VAL 45 CO -0.04 0.00 -1.06 -0.07 0.02 0.00 0.00 177.57 176.42 1vs6 h LEU 46 N 0.00 0.83 -0.68 2.57 3.38 -1.23 -2.97 115.31 117.21 1vs6 h LEU 46 Ca 0.04 -0.79 -0.14 0.00 0.09 0.00 0.00 57.88 57.09 1vs6 h LEU 46 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1vs6 h LEU 46 CO -0.00 1.52 -0.45 -0.37 0.09 0.00 0.00 178.44 179.23 1vs6 h VAL 47 N 0.23 1.31 0.04 1.22 -1.51 -0.84 -3.13 116.25 113.57 1vs6 h VAL 47 Ca -0.15 -1.64 -0.00 0.00 -1.23 0.00 0.00 66.70 63.67 1vs6 h VAL 47 Cb 1.74 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 32.56 1vs6 h VAL 47 CO 0.21 0.51 -0.02 0.50 -1.23 0.00 0.00 177.57 177.54 1vs6 h LYS 48 N 0.39 -0.05 -0.34 5.19 3.64 -1.46 0.37 116.57 124.32 1vs6 h LYS 48 Ca 0.03 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1vs6 h LYS 48 Cb 0.95 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.71 1vs6 h LYS 48 CO 0.08 0.14 -0.43 0.87 -2.27 0.00 0.00 179.45 177.84 1vs6 h LYS 49 N -0.23 -0.28 0.00 1.90 1.79 -1.51 0.26 116.57 118.50 1vs6 h LYS 49 Ca -0.00 0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 1vs6 h LYS 49 Cb 0.21 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1vs6 h LYS 49 CO 0.01 -0.19 -0.25 -0.24 -1.08 0.00 0.00 179.45 177.70 1vs6 h VAL 50 N -0.29 1.02 -0.24 0.50 3.04 -1.54 -1.71 116.25 117.02 1vs6 h VAL 50 Ca 0.06 -0.90 -0.01 0.00 -1.01 0.00 0.00 66.70 64.85 1vs6 h VAL 50 Cb 0.45 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 1vs6 h VAL 50 CO -0.48 0.24 0.13 0.25 -1.01 0.00 0.00 177.57 176.70 1vs6 h LEU 51 N 0.00 0.31 -0.16 3.16 7.12 0.20 0.22 115.31 126.16 1vs6 h LEU 51 Ca -0.00 -0.10 -0.04 0.00 0.13 0.00 0.00 57.88 57.87 1vs6 h LEU 51 Cb 0.48 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1vs6 h LEU 51 CO 0.03 0.32 -0.06 -0.33 -0.13 0.00 0.00 178.44 178.27 1vs6 h GLU 52 N 0.27 0.32 -0.97 1.25 5.08 -0.34 -0.72 114.58 119.47 1vs6 h GLU 52 Ca 0.08 -0.13 0.14 0.00 -1.00 0.00 0.00 59.36 58.45 1vs6 h GLU 52 Cb 0.09 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 1vs6 h GLU 52 CO -0.01 0.62 0.61 0.77 -1.00 0.00 0.00 179.01 180.00 1vs6 h SER 53 N 0.00 0.82 0.58 1.42 0.02 -1.15 0.55 113.55 115.80 1vs6 h SER 53 Ca 0.04 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1vs6 h SER 53 Cb 0.52 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.96 1vs6 h SER 53 CO 0.02 0.41 -0.28 0.00 -1.14 0.00 0.00 176.83 175.85 1vs6 h ALA 54 N 1.57 -0.78 0.00 3.77 0.00 -0.31 -2.40 119.26 121.11 1vs6 h ALA 54 Ca 0.49 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1vs6 h ALA 54 Cb 0.61 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1vs6 h ALA 54 CO -0.26 -0.76 0.02 0.97 0.00 0.00 0.00 179.25 179.23 1vs6 h ILE 55 N -1.14 0.00 -0.00 0.00 6.09 -0.62 0.19 117.51 122.02 1vs6 h ILE 55 Ca -0.08 0.00 -0.21 0.00 -1.37 0.00 0.00 64.86 63.20 1vs6 h ILE 55 Cb 0.64 0.78 -0.01 0.00 0.47 0.00 0.00 36.82 38.70 1vs6 h ILE 55 CO 0.13 0.00 -0.89 0.00 -3.07 0.00 0.00 178.15 174.32 1vs6 h ALA 56 N 1.95 0.46 0.00 0.18 0.00 0.34 -3.03 119.26 119.17 1vs6 h ALA 56 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1vs6 h ALA 56 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1vs6 h ALA 56 CO 0.00 0.86 0.00 0.09 0.00 0.00 0.00 179.25 180.20 1vs6 n ASN 57 N -3.71 0.30 0.07 0.00 5.03 0.65 -2.24 115.26 115.35 1vs6 n ASN 57 Ca -0.05 -0.84 0.12 0.00 0.87 0.00 0.00 54.58 54.68 1vs6 n ASN 57 Cb 0.81 -0.15 0.07 0.00 -1.02 0.00 0.00 39.78 39.49 1vs6 n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1vs6 n ALA 58 N 0.07 2.90 0.07 5.41 0.00 -1.15 -2.70 120.51 125.11 1vs6 n ALA 58 Ca 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.23 1vs6 n ALA 58 Cb 0.07 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.32 1vs6 n ALA 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vs6 n GLU 59 N -2.26 0.65 -0.08 0.00 -0.58 -0.95 -4.07 120.64 113.35 1vs6 n GLU 59 Ca 0.02 -0.12 -0.13 0.00 -0.42 0.00 0.00 57.16 56.51 1vs6 n GLU 59 Cb 0.48 -1.32 -0.04 0.00 -0.57 0.00 0.00 31.44 29.98 1vs6 n GLU 59 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1vs6 n HIS 60 N -1.93 0.00 0.00 -0.32 8.25 -1.26 -4.83 115.22 115.14 1vs6 n HIS 60 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1vs6 n HIS 60 Cb 0.36 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 30.94 1vs6 n HIS 60 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1vs6 n ASN 61 N -4.10 0.00 -3.51 0.41 5.15 -1.10 -4.93 115.26 107.19 1vs6 n ASN 61 Ca -0.23 0.85 -0.18 0.00 -0.60 0.00 0.00 54.58 54.42 1vs6 n ASN 61 Cb 0.56 -0.39 -0.03 0.00 -0.53 0.00 0.00 39.78 39.39 1vs6 n ASN 61 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1vs6 n ASP 62 N -1.67 2.66 -0.29 1.20 8.00 -1.21 -5.07 116.55 120.17 1vs6 n ASP 62 Ca 0.00 -2.21 0.00 0.00 0.71 0.00 0.00 54.79 53.29 1vs6 n ASP 62 Cb 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1vs6 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vs6 n GLY 63 N 1.57 1.04 2.92 0.44 0.00 -1.26 -3.79 105.19 106.11 1vs6 n GLY 63 Ca -0.10 -1.42 -0.04 0.00 0.00 0.00 0.00 46.02 44.45 1vs6 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs6 n ALA 64 N -3.00 -2.97 -0.63 4.61 0.00 -1.26 -4.59 120.51 112.67 1vs6 n ALA 64 Ca 0.00 0.48 -0.31 0.00 0.00 0.00 0.00 53.44 53.61 1vs6 n ALA 64 Cb 0.00 -1.44 0.18 0.00 0.00 0.00 0.00 19.45 18.20 1vs6 n ALA 64 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1vs6 n ASP 65 N 0.62 -2.41 -4.60 0.00 5.68 -1.26 -4.75 116.55 109.82 1vs6 n ASP 65 Ca 0.01 -0.17 -0.43 0.00 -0.50 0.00 0.00 54.79 53.70 1vs6 n ASP 65 Cb 0.25 -0.96 -0.02 0.00 -1.14 0.00 0.00 41.12 39.24 1vs6 n ASP 65 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1vs6 s ILE 66 N -2.23 3.80 0.00 2.12 1.09 -1.26 -4.04 121.20 120.68 1vs6 s ILE 66 Ca 0.56 0.81 0.00 0.00 -1.10 0.00 0.00 60.65 60.92 1vs6 s ILE 66 Cb -0.12 -4.07 0.00 0.00 -1.06 0.00 0.00 42.46 37.20 1vs6 s ILE 66 CO 0.64 -0.68 0.00 -0.90 -0.10 0.00 0.00 174.94 173.90 1vs6 n ASP 67 N 9.17 0.00 0.00 3.58 5.68 -1.26 -5.09 116.55 128.64 1vs6 n ASP 67 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.47 1vs6 n ASP 67 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1vs6 n ASP 67 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1vs6 n ASP 68 N 0.00 0.00 -0.71 -1.12 -0.08 -1.26 -4.79 116.55 108.59 1vs6 n ASP 68 Ca 0.00 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.36 1vs6 n ASP 68 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1vs6 n ASP 68 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1vs6 n LEU 69 N 0.00 0.00 0.00 -2.67 7.99 -1.24 -4.72 117.00 116.36 1vs6 n LEU 69 Ca 0.00 0.65 0.00 0.00 -0.01 0.00 0.00 56.01 56.65 1vs6 n LEU 69 Cb 0.00 -2.03 0.00 0.00 -0.11 0.00 0.00 43.42 41.28 1vs6 n LEU 69 CO 0.00 -1.35 0.00 1.17 -1.51 0.00 0.00 177.39 175.70 1vs6 n LYS 70 N -2.18 0.00 -2.49 3.23 4.81 0.76 -4.71 118.16 117.58 1vs6 n LYS 70 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1vs6 n LYS 70 Cb 0.28 -0.19 0.02 0.00 0.02 0.00 0.00 35.03 35.16 1vs6 n LYS 70 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1vs6 n VAL 71 N -1.80 -1.07 0.34 3.15 0.31 -1.23 -3.95 118.33 114.08 1vs6 n VAL 71 Ca 0.00 -0.07 0.03 0.00 -0.01 0.00 0.00 64.34 64.29 1vs6 n VAL 71 Cb 0.00 -2.66 0.17 0.00 -0.91 0.00 0.00 33.84 30.45 1vs6 n VAL 71 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1vs6 n THR 72 N -2.25 0.56 -3.75 2.52 5.66 -1.24 -3.94 114.28 111.84 1vs6 n THR 72 Ca -0.04 0.14 -0.14 0.00 -3.05 0.00 0.00 64.05 60.96 1vs6 n THR 72 Cb 0.53 -1.04 -0.15 0.00 -1.55 0.00 0.00 70.33 68.12 1vs6 n THR 72 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1vs6 s LYS 73 N -2.35 0.08 -0.26 1.09 1.02 -1.26 -4.89 119.74 113.17 1vs6 s LYS 73 Ca 0.07 0.35 -0.10 0.00 0.02 0.00 0.00 55.97 56.31 1vs6 s LYS 73 Cb 0.04 -0.18 0.10 0.00 -0.52 0.00 0.00 37.83 37.27 1vs6 s LYS 73 CO 0.09 -0.16 0.57 0.42 -0.92 0.00 0.00 175.35 175.35 1vs6 s ILE 74 N 1.14 -0.65 -0.27 2.17 1.01 -1.26 -1.07 121.20 122.26 1vs6 s ILE 74 Ca -0.09 0.05 -0.25 0.00 0.00 0.00 0.00 60.65 60.36 1vs6 s ILE 74 Cb -0.11 -0.87 0.10 0.00 0.01 0.00 0.00 42.46 41.58 1vs6 s ILE 74 CO -0.05 0.02 0.88 0.72 0.00 0.00 0.00 174.94 176.51 1vs6 s PHE 75 N 2.48 -0.62 -0.03 3.97 -0.71 -1.14 -4.96 117.98 116.97 1vs6 s PHE 75 Ca -0.06 1.50 0.00 0.00 -1.04 0.00 0.00 56.93 57.33 1vs6 s PHE 75 Cb -0.11 0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 1vs6 s PHE 75 CO -0.17 -0.31 -0.00 0.14 -1.34 0.00 0.00 175.22 173.54 1vs6 s VAL 76 N 0.22 4.18 0.21 -2.49 -7.23 -1.26 -3.89 120.40 110.14 1vs6 s VAL 76 Ca 0.01 -0.48 0.11 0.00 -1.81 0.00 0.00 61.98 59.81 1vs6 s VAL 76 Cb -0.05 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 1vs6 s VAL 76 CO -0.02 0.46 -0.18 -1.81 -0.31 0.00 0.00 175.10 173.24 1vs6 s ASP 77 N -1.29 3.75 -0.13 4.85 1.11 -1.26 -4.94 116.67 118.75 1vs6 s ASP 77 Ca 0.17 -0.80 -0.29 0.00 0.18 0.00 0.00 52.55 51.80 1vs6 s ASP 77 Cb -0.11 -0.42 -0.04 0.00 1.07 0.00 0.00 42.92 43.41 1vs6 s ASP 77 CO 0.07 0.09 1.66 -1.61 1.18 0.00 0.00 175.17 176.56 1vs6 s GLU 78 N -2.92 3.98 0.14 8.23 2.02 -1.26 -3.79 118.70 125.11 1vs6 s GLU 78 Ca 0.24 1.97 0.03 0.00 0.02 0.00 0.00 54.97 57.23 1vs6 s GLU 78 Cb -0.08 -4.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.10 1vs6 s GLU 78 CO 0.13 -1.07 0.24 0.20 0.02 0.00 0.00 175.26 174.77 1vs6 s GLY 79 N 3.89 1.78 0.13 -1.39 0.00 -1.05 -4.96 107.32 105.72 1vs6 s GLY 79 Ca 0.73 -1.04 -0.25 0.00 0.00 0.00 0.00 44.72 44.16 1vs6 s GLY 79 CO 0.29 -1.04 0.53 -1.05 0.00 0.00 0.00 173.10 171.83 1vs6 n PRO 80 N -0.37 0.00 -4.44 2.90 -0.02 -1.26 -3.53 135.00 128.27 1vs6 n PRO 80 Ca -0.07 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.07 1vs6 n PRO 80 Cb 0.54 -0.91 -0.12 0.00 -0.02 0.00 0.00 33.50 32.98 1vs6 n PRO 80 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1vs6 s SER 81 N -0.63 4.69 0.39 2.55 0.15 -1.26 -3.92 113.70 115.66 1vs6 s SER 81 Ca 0.57 -0.16 -0.24 0.00 0.70 0.00 0.00 55.95 56.83 1vs6 s SER 81 Cb -0.82 -1.76 -0.09 0.00 -1.71 0.00 0.00 66.02 61.63 1vs6 s SER 81 CO 0.46 0.17 1.02 -0.04 1.20 0.00 0.00 173.24 176.04 1vs6 s MET 82 N 0.37 4.24 0.01 5.44 -1.94 -1.26 -4.81 119.30 121.34 1vs6 s MET 82 Ca -0.05 1.42 0.03 0.00 -1.71 0.00 0.00 55.69 55.39 1vs6 s MET 82 Cb -0.14 -2.53 -0.03 0.00 2.01 0.00 0.00 34.83 34.14 1vs6 s MET 82 CO 0.03 -0.06 -0.07 0.21 -0.01 0.00 0.00 175.02 175.12 1vs6 s LYS 83 N -2.53 2.54 -0.08 2.03 2.20 -1.26 -1.27 119.74 121.37 1vs6 s LYS 83 Ca 0.57 -0.73 -0.14 0.00 -0.36 0.00 0.00 55.97 55.31 1vs6 s LYS 83 Cb -0.20 -2.50 0.03 0.00 -1.51 0.00 0.00 37.83 33.66 1vs6 s LYS 83 CO 0.25 0.60 0.36 0.50 -0.36 0.00 0.00 175.35 176.70 1vs6 s ARG 84 N -1.45 0.56 0.51 4.03 6.06 -0.86 -5.01 118.95 122.79 1vs6 s ARG 84 Ca 0.17 0.21 -0.11 0.00 -2.50 0.00 0.00 55.73 53.50 1vs6 s ARG 84 Cb -0.11 0.26 -0.06 0.00 0.06 0.00 0.00 34.95 35.10 1vs6 s ARG 84 CO 0.08 -0.12 0.90 0.42 -2.50 0.00 0.00 175.30 174.08 1vs6 s ILE 85 N -0.50 4.73 -0.26 4.11 1.01 -1.26 -3.80 121.20 125.23 1vs6 s ILE 85 Ca -0.06 0.76 -0.02 0.00 0.00 0.00 0.00 60.65 61.33 1vs6 s ILE 85 Cb -0.04 -3.79 0.08 0.00 0.01 0.00 0.00 42.46 38.72 1vs6 s ILE 85 CO 0.02 -0.80 0.07 -0.32 0.00 0.00 0.00 174.94 173.91 1vs6 s MET 86 N -4.45 0.65 0.05 2.79 1.75 -1.26 -4.95 119.30 113.88 1vs6 s MET 86 Ca 0.53 -0.75 -0.32 0.00 -1.25 0.00 0.00 55.69 53.91 1vs6 s MET 86 Cb -0.10 -1.95 -0.11 0.00 2.84 0.00 0.00 34.83 35.51 1vs6 s MET 86 CO 0.40 -0.84 1.87 -2.30 -0.65 0.00 0.00 175.02 173.49 1vs6 n PRO 87 N 4.97 2.60 0.00 4.11 -0.02 -1.26 -4.40 135.00 141.00 1vs6 n PRO 87 Ca -0.06 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1vs6 n PRO 87 Cb 0.44 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 1vs6 n PRO 87 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1vs6 n ARG 88 N 6.23 0.59 -1.95 -0.52 1.74 -1.26 -4.96 116.66 116.53 1vs6 n ARG 88 Ca 0.20 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.96 1vs6 n ARG 88 Cb 0.35 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.74 1vs6 n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vs6 n ALA 89 N -3.00 2.17 -0.60 7.54 0.00 -1.26 -3.40 120.51 121.96 1vs6 n ALA 89 Ca 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 53.44 50.32 1vs6 n ALA 89 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 15.94 1vs6 n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vs6 n LYS 90 N 8.07 0.00 -0.42 0.00 4.01 -1.26 -3.87 118.16 124.69 1vs6 n LYS 90 Ca 0.46 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.26 1vs6 n LYS 90 Cb 0.45 -2.03 0.00 0.00 -0.51 0.00 0.00 35.03 32.95 1vs6 n LYS 90 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1vs6 n GLY 91 N -2.00 1.65 0.11 0.72 0.00 -1.22 -5.03 105.19 99.42 1vs6 n GLY 91 Ca 0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 1vs6 n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1vs6 h ARG 92 N 0.00 0.22 -4.10 1.61 9.65 -1.89 -3.43 114.38 116.44 1vs6 h ARG 92 Ca 0.00 -0.38 -0.75 0.00 -1.10 0.00 0.00 59.98 57.75 1vs6 h ARG 92 Cb 0.21 0.14 -0.26 0.00 -1.39 0.00 0.00 29.97 28.67 1vs6 h ARG 92 CO 0.00 1.18 -0.23 0.00 2.80 0.00 0.00 179.97 183.72 1vs6 s ALA 93 N -2.40 3.63 -0.29 2.80 0.00 -1.26 -4.98 121.76 119.25 1vs6 s ALA 93 Ca -0.17 -2.63 0.03 0.00 0.00 0.00 0.00 51.96 49.19 1vs6 s ALA 93 Cb 0.01 -3.18 0.20 0.00 0.00 0.00 0.00 23.12 20.15 1vs6 s ALA 93 CO 0.78 -2.02 0.66 0.16 0.00 0.00 0.00 175.76 175.34 1vs6 s ASP 94 N 3.19 -1.44 0.14 0.00 1.47 -1.26 -4.63 116.67 114.15 1vs6 s ASP 94 Ca 0.05 0.24 0.00 0.00 1.18 0.00 0.00 52.55 54.02 1vs6 s ASP 94 Cb -0.27 1.94 0.00 0.00 -0.34 0.00 0.00 42.92 44.25 1vs6 s ASP 94 CO 0.01 -0.26 0.00 -1.14 0.68 0.00 0.00 175.17 174.46 1vs6 n ARG 95 N 5.38 0.00 -2.77 2.11 0.63 -1.26 -4.56 116.66 116.18 1vs6 n ARG 95 Ca 0.05 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.96 1vs6 n ARG 95 Cb 0.54 -0.25 -0.01 0.00 0.45 0.00 0.00 32.46 33.19 1vs6 n ARG 95 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1vs6 n ILE 96 N -3.30 -5.21 -3.94 5.15 5.41 -1.25 -3.35 119.36 112.86 1vs6 n ILE 96 Ca 0.00 1.03 -0.34 0.00 1.00 0.00 0.00 62.75 64.44 1vs6 n ILE 96 Cb 0.00 -3.81 -0.14 0.00 -0.71 0.00 0.00 39.64 34.98 1vs6 n ILE 96 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1vs6 s LEU 97 N -0.23 3.74 0.27 1.39 1.43 -1.26 -2.03 118.68 121.98 1vs6 s LEU 97 Ca -0.09 -1.25 -0.00 0.00 -1.03 0.00 0.00 54.13 51.76 1vs6 s LEU 97 Cb 0.01 -1.68 0.52 0.00 0.03 0.00 0.00 46.19 45.07 1vs6 s LEU 97 CO 0.24 -0.23 1.80 0.11 0.23 0.00 0.00 176.35 178.49 1vs6 h LYS 98 N 7.96 0.78 -3.23 1.70 1.79 -1.51 -3.47 116.57 120.59 1vs6 h LYS 98 Ca -0.22 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1vs6 h LYS 98 Cb 1.06 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1vs6 h LYS 98 CO 0.52 0.52 -0.83 0.54 -1.08 0.00 0.00 179.45 179.12 1vs6 n ARG 99 N -4.74 -3.66 -3.27 3.15 1.74 -1.26 -4.57 116.66 104.05 1vs6 n ARG 99 Ca 0.17 2.81 -0.11 0.00 -0.77 0.00 0.00 57.85 59.96 1vs6 n ARG 99 Cb 0.38 -3.44 -0.03 0.00 -1.02 0.00 0.00 32.46 28.35 1vs6 n ARG 99 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1vs6 n THR 100 N -2.13 0.00 -1.93 0.55 -2.24 -1.23 -3.64 114.28 103.66 1vs6 n THR 100 Ca 0.00 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 1vs6 n THR 100 Cb 0.33 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 1vs6 n THR 100 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1vs6 n SER 101 N -1.96 0.00 0.00 3.42 3.41 0.35 -2.51 113.62 116.32 1vs6 n SER 101 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1vs6 n SER 101 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1vs6 n SER 101 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1vs6 n HIS 102 N 0.00 0.00 0.00 7.33 8.25 -1.25 -0.28 115.22 129.27 1vs6 n HIS 102 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1vs6 n HIS 102 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1vs6 n HIS 102 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1vs6 n ILE 103 N 0.00 0.00 -3.54 1.59 0.13 -1.26 -4.86 119.36 111.42 1vs6 n ILE 103 Ca 0.00 0.00 -0.21 0.00 -1.10 0.00 0.00 62.75 61.44 1vs6 n ILE 103 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1vs6 n ILE 103 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1vs6 n THR 104 N 0.00 -2.36 -2.88 9.51 -2.24 -1.25 -2.89 114.28 112.18 1vs6 n THR 104 Ca 0.00 -0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.38 1vs6 n THR 104 Cb 0.00 -2.09 -0.07 0.00 -2.10 0.00 0.00 70.33 66.07 1vs6 n THR 104 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1vs6 s VAL 105 N -2.86 4.38 0.05 2.28 1.01 -1.26 -4.05 120.40 119.95 1vs6 s VAL 105 Ca 0.04 1.51 0.02 0.00 0.00 0.00 0.00 61.98 63.55 1vs6 s VAL 105 Cb -0.02 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1vs6 s VAL 105 CO 0.68 -0.09 -0.07 -0.69 0.00 0.00 0.00 175.10 174.93 1vs6 s VAL 106 N -1.90 0.54 -0.11 2.92 1.01 -0.24 -3.39 120.40 119.23 1vs6 s VAL 106 Ca 0.55 -1.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1vs6 s VAL 106 Cb -0.13 -0.79 0.05 0.00 0.00 0.00 0.00 36.38 35.50 1vs6 s VAL 106 CO 0.18 -0.48 0.26 0.68 0.00 0.00 0.00 175.10 175.74 1vs6 s VAL 107 N -1.82 -0.07 0.00 2.92 -7.23 -1.19 -3.50 120.40 109.51 1vs6 s VAL 107 Ca -0.06 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1vs6 s VAL 107 Cb -0.07 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.46 1vs6 s VAL 107 CO -0.01 0.06 0.00 -1.54 -0.31 0.00 0.00 175.10 173.31 1vs6 n SER 108 N 4.33 0.00 -4.88 4.85 3.41 -1.26 -4.65 113.62 115.41 1vs6 n SER 108 Ca -0.24 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.13 1vs6 n SER 108 Cb 0.53 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.55 1vs6 n SER 108 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1vs6 s ASP 109 N 1.55 4.84 0.00 4.04 1.47 -1.26 -0.17 116.67 127.14 1vs6 s ASP 109 Ca 0.00 0.20 0.17 0.00 1.18 0.00 0.00 52.55 54.09 1vs6 s ASP 109 Cb 0.00 -0.87 0.13 0.00 -0.34 0.00 0.00 42.92 41.85 1vs6 s ASP 109 CO 0.00 -1.53 1.03 0.54 0.68 0.00 0.00 175.17 175.89