#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rvv s ASN 2 N 0.00 4.39 -0.00 6.12 0.01 -1.26 -5.09 114.94 119.11 1rvv s ASN 2 Ca 0.00 -0.34 -0.22 0.00 -0.71 0.00 0.00 52.86 51.59 1rvv s ASN 2 Cb 0.00 -1.75 -0.05 0.00 0.41 0.00 0.00 41.25 39.86 1rvv s ASN 2 CO 0.00 0.02 0.66 -0.63 -1.51 0.00 0.00 177.10 175.64 1rvv s ILE 3 N 1.25 4.88 -0.13 0.60 -1.09 -1.26 -5.08 121.20 120.38 1rvv s ILE 3 Ca 0.03 1.39 0.01 0.00 -2.23 0.00 0.00 60.65 59.84 1rvv s ILE 3 Cb -0.14 -4.00 -0.01 0.00 -1.58 0.00 0.00 42.46 36.72 1rvv s ILE 3 CO -0.01 0.37 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.29 1rvv s ILE 4 N 0.04 2.83 -0.09 2.92 1.01 -1.26 -5.12 121.20 121.53 1rvv s ILE 4 Ca 0.34 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 60.10 1rvv s ILE 4 Cb -0.19 -2.18 0.04 0.00 0.01 0.00 0.00 42.46 40.14 1rvv s ILE 4 CO 0.19 0.53 0.39 -1.10 0.00 0.00 0.00 174.94 174.95 1rvv s GLN 5 N 0.42 0.60 0.02 2.79 -0.21 -1.26 -5.14 119.66 116.88 1rvv s GLN 5 Ca -0.11 0.24 -0.15 0.00 0.02 0.00 0.00 55.36 55.36 1rvv s GLN 5 Cb -0.16 0.28 -0.06 0.00 1.00 0.00 0.00 33.01 34.07 1rvv s GLN 5 CO 0.05 -0.13 0.43 0.20 -2.12 0.00 0.00 175.29 173.73 1rvv s GLY 6 N -0.51 2.50 0.63 3.09 0.00 -1.26 -4.73 107.32 107.04 1rvv s GLY 6 Ca -0.06 -0.19 0.04 0.00 0.00 0.00 0.00 44.72 44.51 1rvv s GLY 6 CO 0.03 0.17 0.86 1.16 0.00 0.00 0.00 173.10 175.32 1rvv n ASN 7 N 1.75 1.60 -2.03 1.64 6.94 -1.26 -4.87 115.26 119.03 1rvv n ASN 7 Ca -0.13 -2.25 -0.06 0.00 -0.02 0.00 0.00 54.58 52.12 1rvv n ASN 7 Cb 0.52 -0.52 0.30 0.00 -2.36 0.00 0.00 39.78 37.73 1rvv n ASN 7 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1rvv n LEU 8 N 0.00 6.14 -4.60 -4.53 7.99 -1.26 -4.13 117.00 116.60 1rvv n LEU 8 Ca 0.16 -3.19 -0.39 0.00 -0.01 0.00 0.00 56.01 52.58 1rvv n LEU 8 Cb 0.56 -0.75 -0.10 0.00 -0.11 0.00 0.00 43.42 43.03 1rvv n LEU 8 CO 0.37 0.81 -0.00 -0.69 -1.51 0.00 0.00 177.39 176.36 1rvv s VAL 9 N -2.97 5.22 -1.63 4.08 1.01 -1.26 -4.93 120.40 119.93 1rvv s VAL 9 Ca 0.55 0.46 0.28 0.00 0.00 0.00 0.00 61.98 63.26 1rvv s VAL 9 Cb 0.44 -3.65 0.36 0.00 0.00 0.00 0.00 36.38 33.53 1rvv s VAL 9 CO 0.14 0.19 1.74 0.61 0.00 0.00 0.00 175.10 177.77 1rvv n GLY 10 N 4.76 -0.86 3.65 4.51 0.00 0.74 -4.93 105.19 113.06 1rvv n GLY 10 Ca -0.10 -0.31 -0.55 0.00 0.00 0.00 0.00 46.02 45.05 1rvv n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rvv n THR 11 N -0.90 0.32 -0.76 2.61 -1.04 -1.23 -1.06 114.28 112.22 1rvv n THR 11 Ca 0.13 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1rvv n THR 11 Cb 0.31 -1.36 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 1rvv n THR 11 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rvv n GLY 12 N 4.77 0.87 3.82 3.41 0.00 -1.26 -5.01 105.19 111.78 1rvv n GLY 12 Ca 0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 1rvv n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rvv s LEU 13 N 0.00 3.33 -0.11 0.99 1.02 -0.22 -5.07 118.68 118.63 1rvv s LEU 13 Ca 0.00 1.68 0.02 0.00 0.02 0.00 0.00 54.13 55.85 1rvv s LEU 13 Cb 0.00 -4.51 0.01 0.00 0.02 0.00 0.00 46.19 41.71 1rvv s LEU 13 CO 0.00 -1.21 -0.16 -0.54 0.02 0.00 0.00 176.35 174.47 1rvv s LYS 14 N -4.57 2.26 -0.07 1.70 1.02 -1.26 -4.62 119.74 114.21 1rvv s LYS 14 Ca 0.60 -0.58 0.03 0.00 0.02 0.00 0.00 55.97 56.04 1rvv s LYS 14 Cb -0.14 -1.91 0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1rvv s LYS 14 CO 0.45 -0.05 -0.16 0.42 -0.92 0.00 0.00 175.35 175.09 1rvv s ILE 15 N 0.95 1.38 -0.06 2.17 -1.09 -0.81 0.22 121.20 123.97 1rvv s ILE 15 Ca -0.07 -0.64 -0.02 0.00 -2.23 0.00 0.00 60.65 57.69 1rvv s ILE 15 Cb -0.15 -1.22 -0.04 0.00 -1.58 0.00 0.00 42.46 39.47 1rvv s ILE 15 CO -0.01 0.41 0.06 -0.83 -1.23 0.00 0.00 174.94 173.33 1rvv s GLY 16 N 0.44 1.97 -0.02 6.18 0.00 -1.13 -1.56 107.32 113.21 1rvv s GLY 16 Ca -0.13 -0.81 0.06 0.00 0.00 0.00 0.00 44.72 43.85 1rvv s GLY 16 CO 0.04 -0.61 -0.19 -0.42 0.00 0.00 0.00 173.10 171.92 1rvv s ILE 17 N -1.04 1.53 -0.13 0.90 1.01 0.77 -0.33 121.20 123.91 1rvv s ILE 17 Ca 0.17 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.02 1rvv s ILE 17 Cb -0.12 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 41.08 1rvv s ILE 17 CO 0.07 0.43 -0.19 -0.69 0.00 0.00 0.00 174.94 174.56 1rvv s VAL 18 N -0.45 2.44 -0.06 2.92 1.01 0.50 -0.67 120.40 126.10 1rvv s VAL 18 Ca 0.07 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1rvv s VAL 18 Cb -0.08 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1rvv s VAL 18 CO -0.01 0.54 -0.14 -0.69 0.00 0.00 0.00 175.10 174.80 1rvv s VAL 19 N 0.53 1.25 0.13 2.92 1.01 -0.32 -0.75 120.40 125.16 1rvv s VAL 19 Ca -0.12 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 1rvv s VAL 19 Cb -0.16 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 1rvv s VAL 19 CO 0.04 0.37 0.96 -0.83 0.00 0.00 0.00 175.10 175.65 1rvv s GLY 20 N 0.40 3.02 0.21 4.51 0.00 -0.64 -1.14 107.32 113.67 1rvv s GLY 20 Ca -0.10 0.59 -0.03 0.00 0.00 0.00 0.00 44.72 45.18 1rvv s GLY 20 CO 0.03 1.43 1.59 3.21 0.00 0.00 0.00 173.10 179.37 1rvv h ARG 21 N 5.42 0.63 -6.55 2.90 3.08 -0.90 -3.43 114.38 115.53 1rvv h ARG 21 Ca -0.43 -0.31 -0.57 0.00 0.07 0.00 0.00 59.98 58.74 1rvv h ARG 21 Cb 1.21 -0.00 0.06 0.00 0.08 0.00 0.00 29.97 31.32 1rvv h ARG 21 CO 0.71 0.90 0.81 0.34 -1.07 0.00 0.00 179.97 181.67 1rvv n PHE 22 N -4.05 2.36 -3.55 3.04 -0.00 -0.78 -1.87 117.46 112.60 1rvv n PHE 22 Ca -0.01 0.25 -0.24 0.00 -0.00 0.00 0.00 57.45 57.45 1rvv n PHE 22 Cb 0.50 -2.56 0.07 0.00 -0.00 0.00 0.00 39.48 37.50 1rvv n PHE 22 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1rvv n ASN 23 N 3.29 -6.30 0.02 -2.13 3.02 -1.26 -4.45 115.26 107.46 1rvv n ASN 23 Ca 0.16 -0.52 0.09 0.00 -0.03 0.00 0.00 54.58 54.27 1rvv n ASN 23 Cb 0.30 -4.97 0.37 0.00 -0.61 0.00 0.00 39.78 34.87 1rvv n ASN 23 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1rvv n ASP 24 N -2.95 0.13 -0.31 6.41 5.75 -0.78 -0.80 116.55 124.00 1rvv n ASP 24 Ca -0.00 0.53 0.10 0.00 -0.01 0.00 0.00 54.79 55.41 1rvv n ASP 24 Cb 0.56 -0.56 0.23 0.00 -1.03 0.00 0.00 41.12 40.33 1rvv n ASP 24 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1rvv h PHE 25 N 0.00 -0.02 0.02 2.11 3.57 -1.90 -2.12 116.94 118.60 1rvv h PHE 25 Ca 0.00 0.06 -0.20 0.00 3.53 0.00 0.00 57.97 61.36 1rvv h PHE 25 Cb 0.30 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1rvv h PHE 25 CO 0.00 -0.33 -1.08 0.82 -2.23 0.00 0.00 178.31 175.48 1rvv h ILE 26 N 0.07 1.08 -0.01 1.41 1.08 -1.35 -3.40 117.51 116.39 1rvv h ILE 26 Ca 0.52 -2.25 -0.05 0.00 -0.39 0.00 0.00 64.86 62.68 1rvv h ILE 26 Cb 1.00 2.53 -0.01 0.00 -3.07 0.00 0.00 36.82 37.28 1rvv h ILE 26 CO -0.80 0.46 -0.24 0.71 -0.69 0.00 0.00 178.15 177.58 1rvv h THR 27 N -0.84 1.18 -0.00 -0.27 1.35 -1.17 -0.46 112.91 112.70 1rvv h THR 27 Ca -0.28 -0.85 -0.05 0.00 -0.55 0.00 0.00 66.41 64.68 1rvv h THR 27 Cb 1.36 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 1rvv h THR 27 CO -0.12 0.24 -0.25 0.77 -0.25 0.00 0.00 175.52 175.92 1rvv h SER 28 N 0.01 0.00 0.13 5.36 4.64 -1.62 -1.50 113.55 120.58 1rvv h SER 28 Ca 0.00 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1rvv h SER 28 Cb 0.44 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1rvv h SER 28 CO 0.03 0.26 -0.73 0.11 -0.87 0.00 0.00 176.83 175.63 1rvv h LYS 29 N 0.00 0.52 -0.62 4.77 1.79 -1.30 -1.12 116.57 120.61 1rvv h LYS 29 Ca -0.00 -0.42 0.01 0.00 -2.18 0.00 0.00 60.65 58.06 1rvv h LYS 29 Cb 0.45 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.15 1rvv h LYS 29 CO 0.03 1.05 0.41 -0.07 -1.08 0.00 0.00 179.45 179.78 1rvv h LEU 30 N 0.36 0.70 -0.30 2.94 4.07 -1.26 -1.11 115.31 120.70 1rvv h LEU 30 Ca -0.03 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.89 1rvv h LEU 30 Cb 1.32 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.87 1rvv h LEU 30 CO 0.13 0.50 0.09 0.25 -1.08 0.00 0.00 178.44 178.33 1rvv h LEU 31 N 0.82 0.45 -0.34 1.67 5.85 -1.11 -1.17 115.31 121.48 1rvv h LEU 31 Ca 0.23 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1rvv h LEU 31 Cb -0.08 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 40.75 1rvv h LEU 31 CO -0.06 0.55 -0.24 0.28 -0.34 0.00 0.00 178.44 178.63 1rvv h SER 32 N 0.33 -0.79 -0.26 1.25 0.02 -1.11 -0.17 113.55 112.82 1rvv h SER 32 Ca 0.10 0.16 0.06 0.00 -0.84 0.00 0.00 61.79 61.27 1rvv h SER 32 Cb 0.26 0.39 -0.07 0.00 0.14 0.00 0.00 62.40 63.13 1rvv h SER 32 CO -0.00 -0.26 -0.18 1.23 -1.14 0.00 0.00 176.83 176.48 1rvv h GLY 33 N -0.19 -0.00 0.95 -3.77 0.00 -1.01 -1.91 103.07 97.13 1rvv h GLY 33 Ca 0.17 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.74 1rvv h GLY 33 CO -0.46 -0.17 0.44 0.00 0.00 0.00 0.00 176.54 176.34 1rvv h ALA 34 N 1.00 0.87 0.40 3.60 0.00 -1.01 -1.66 119.26 122.46 1rvv h ALA 34 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1rvv h ALA 34 Cb 0.38 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1rvv h ALA 34 CO -0.36 0.24 -0.24 1.49 0.00 0.00 0.00 179.25 180.38 1rvv h GLU 35 N 0.87 -0.59 0.13 0.00 4.81 -0.52 -1.80 114.58 117.47 1rvv h GLU 35 Ca 0.26 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1rvv h GLU 35 Cb -0.05 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1rvv h GLU 35 CO -0.08 -0.39 -0.45 0.22 -0.73 0.00 0.00 179.01 177.58 1rvv h ASP 36 N -0.61 -1.34 -0.98 1.04 3.58 -1.24 -1.87 116.42 115.00 1rvv h ASP 36 Ca -0.04 0.15 0.11 0.00 0.42 0.00 0.00 57.03 57.66 1rvv h ASP 36 Cb 0.50 0.50 -0.08 0.00 1.72 0.00 0.00 39.33 41.97 1rvv h ASP 36 CO 0.05 -0.51 0.61 0.00 -2.88 0.00 0.00 179.24 176.51 1rvv h ALA 37 N -0.28 1.44 0.11 -0.78 0.00 -1.25 -0.98 119.26 117.53 1rvv h ALA 37 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1rvv h ALA 37 Cb 0.71 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1rvv h ALA 37 CO -0.25 0.25 -0.05 -0.07 0.00 0.00 0.00 179.25 179.13 1rvv h LEU 38 N 1.01 -0.13 -0.27 0.00 3.38 -1.07 -2.15 115.31 116.08 1rvv h LEU 38 Ca 0.47 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.33 1rvv h LEU 38 Cb 0.41 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1rvv h LEU 38 CO -0.24 0.05 0.15 -0.07 0.09 0.00 0.00 178.44 178.41 1rvv h LEU 39 N -0.30 0.23 -1.06 1.67 3.38 -1.03 0.23 115.31 118.44 1rvv h LEU 39 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1rvv h LEU 39 Cb 0.24 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1rvv h LEU 39 CO 0.03 0.17 0.00 0.03 0.09 0.00 0.00 178.44 178.76 1rvv h ARG 40 N 0.30 0.00 -0.11 1.13 3.08 -1.19 0.13 114.38 117.73 1rvv h ARG 40 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1rvv h ARG 40 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1rvv h ARG 40 CO -0.06 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.56 1rvv n HIS 41 N -2.51 0.13 -0.16 3.04 8.25 -0.81 -4.96 115.22 118.20 1rvv n HIS 41 Ca 0.01 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1rvv n HIS 41 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 1rvv n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rvv n GLY 42 N 1.09 0.73 3.77 -1.41 0.00 0.46 -0.19 105.19 109.64 1rvv n GLY 42 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1rvv n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rvv s VAL 43 N -2.18 3.05 0.06 1.61 1.01 0.03 -3.71 120.40 120.27 1rvv s VAL 43 Ca 0.00 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 1rvv s VAL 43 Cb 0.00 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1rvv s VAL 43 CO 0.00 0.22 1.05 -0.62 0.00 0.00 0.00 175.10 175.75 1rvv s ASP 44 N -0.73 7.31 0.50 3.32 2.15 -1.26 -4.11 116.67 123.85 1rvv s ASP 44 Ca 0.49 1.83 0.20 0.00 0.43 0.00 0.00 52.55 55.50 1rvv s ASP 44 Cb -0.36 -2.58 1.27 0.00 -0.30 0.00 0.00 42.92 40.95 1rvv s ASP 44 CO 0.47 -0.27 2.03 0.00 -0.17 0.00 0.00 175.17 177.23 1rvv h THR 45 N 4.43 0.84 0.00 1.71 1.03 -1.96 0.44 112.91 119.40 1rvv h THR 45 Ca -0.42 -0.04 -0.01 0.00 -0.01 0.00 0.00 66.41 65.94 1rvv h THR 45 Cb 1.22 0.73 -0.00 0.00 -1.07 0.00 0.00 68.15 69.02 1rvv h THR 45 CO 0.76 0.02 -0.03 0.78 -0.01 0.00 0.00 175.52 177.04 1rvv h ASN 46 N 0.11 0.00 -0.35 0.00 -0.26 -2.01 -2.90 115.58 110.17 1rvv h ASN 46 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1rvv h ASN 46 Cb 0.64 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1rvv h ASN 46 CO -0.02 0.03 0.00 0.47 -1.06 0.00 0.00 177.43 176.85 1rvv n ASP 47 N -3.24 2.73 -4.39 5.81 8.00 0.15 -4.88 116.55 120.74 1rvv n ASP 47 Ca -0.02 -2.22 -0.34 0.00 0.71 0.00 0.00 54.79 52.92 1rvv n ASP 47 Cb 0.18 -0.42 -0.13 0.00 -0.02 0.00 0.00 41.12 40.73 1rvv n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rvv s ILE 48 N -1.68 3.54 -0.02 0.53 1.01 -1.10 -1.92 121.20 121.56 1rvv s ILE 48 Ca 0.27 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.50 1rvv s ILE 48 Cb 0.17 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 1rvv s ILE 48 CO 0.13 0.45 -0.11 -1.81 0.00 0.00 0.00 174.94 173.61 1rvv s ASP 49 N 0.96 4.33 -0.16 3.58 1.01 -0.60 -5.01 116.67 120.78 1rvv s ASP 49 Ca -0.00 -0.18 0.00 0.00 0.71 0.00 0.00 52.55 53.08 1rvv s ASP 49 Cb -0.15 -0.95 0.03 0.00 1.01 0.00 0.00 42.92 42.86 1rvv s ASP 49 CO 0.01 0.31 -0.09 -0.69 0.21 0.00 0.00 175.17 174.91 1rvv s VAL 50 N -0.88 1.35 -0.25 -1.27 1.01 -1.26 -0.16 120.40 118.93 1rvv s VAL 50 Ca 0.14 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 1rvv s VAL 50 Cb -0.11 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1rvv s VAL 50 CO 0.04 0.28 0.05 0.00 0.00 0.00 0.00 175.10 175.47 1rvv s ALA 51 N 1.55 3.08 0.14 5.51 0.00 0.15 -4.98 121.76 127.21 1rvv s ALA 51 Ca 0.02 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 1rvv s ALA 51 Cb -0.14 -2.03 -0.06 0.00 0.00 0.00 0.00 23.12 20.88 1rvv s ALA 51 CO -0.09 -0.57 0.98 -1.58 0.00 0.00 0.00 175.76 174.50 1rvv s TRP 52 N 1.57 3.81 0.20 0.00 0.52 -1.26 -1.17 118.94 122.61 1rvv s TRP 52 Ca 0.06 1.79 0.07 0.00 0.02 0.00 0.00 56.10 58.04 1rvv s TRP 52 Cb -0.15 -3.07 -0.05 0.00 -1.15 0.00 0.00 33.47 29.05 1rvv s TRP 52 CO 0.02 0.14 -0.13 0.14 0.02 0.00 0.00 176.95 177.14 1rvv s VAL 53 N -0.19 1.66 0.19 4.03 -7.23 -0.29 -4.92 120.40 113.64 1rvv s VAL 53 Ca 0.46 -2.19 -0.18 0.00 -1.81 0.00 0.00 61.98 58.27 1rvv s VAL 53 Cb -0.24 -2.04 0.15 0.00 0.56 0.00 0.00 36.38 34.81 1rvv s VAL 53 CO 0.31 -0.60 1.61 -0.65 -0.31 0.00 0.00 175.10 175.46 1rvv h PRO 54 N 2.58 -0.11 0.00 4.82 0.11 -1.96 0.35 132.00 137.79 1rvv h PRO 54 Ca -0.38 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.77 1rvv h PRO 54 Cb 1.22 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1rvv h PRO 54 CO 0.62 -0.07 0.21 0.41 -0.21 0.00 0.00 178.00 178.96 1rvv n GLY 55 N -1.42 1.24 0.31 -0.55 0.00 -1.26 -1.87 105.19 101.63 1rvv n GLY 55 Ca 0.05 -1.08 0.14 0.00 0.00 0.00 0.00 46.02 45.12 1rvv n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rvv h ALA 56 N 2.00 1.96 -0.29 4.61 0.00 -1.92 -1.72 119.26 123.90 1rvv h ALA 56 Ca -0.15 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1rvv h ALA 56 Cb 0.59 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1rvv h ALA 56 CO 0.19 -0.18 0.19 0.35 0.00 0.00 0.00 179.25 179.81 1rvv h PHE 57 N 0.00 0.30 0.00 0.00 3.04 -1.97 -2.78 116.94 115.54 1rvv h PHE 57 Ca 0.06 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 1rvv h PHE 57 Cb 0.29 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.69 1rvv h PHE 57 CO 0.00 0.18 -0.57 0.93 -2.02 0.00 0.00 178.31 176.84 1rvv h GLU 58 N 0.32 0.00 -0.16 1.11 3.07 -1.73 -3.39 114.58 113.80 1rvv h GLU 58 Ca 0.11 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.02 1rvv h GLU 58 Cb 0.06 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.91 1rvv h GLU 58 CO -0.02 0.03 -0.25 0.82 -1.40 0.00 0.00 179.01 178.18 1rvv h ILE 59 N 0.00 0.39 -0.91 3.13 2.04 -1.48 -1.99 117.51 118.70 1rvv h ILE 59 Ca -0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.98 1rvv h ILE 59 Cb 1.04 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 1rvv h ILE 59 CO 0.00 0.00 0.58 -0.65 0.00 0.00 0.00 178.15 178.09 1rvv h PRO 60 N -0.31 0.77 0.22 2.37 0.11 -1.76 0.55 132.00 133.97 1rvv h PRO 60 Ca 0.11 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1rvv h PRO 60 Cb 0.47 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1rvv h PRO 60 CO -0.33 0.51 -0.11 0.35 -0.21 0.00 0.00 178.00 178.21 1rvv h PHE 61 N 0.80 -0.28 -0.16 0.65 3.04 -1.63 -1.46 116.94 117.89 1rvv h PHE 61 Ca 0.45 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.32 1rvv h PHE 61 Cb 0.59 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.18 1rvv h PHE 61 CO -0.00 -0.03 -0.23 0.00 -2.02 0.00 0.00 178.31 176.03 1rvv h ALA 62 N 0.22 1.31 -0.13 2.41 0.00 -0.90 -2.69 119.26 119.47 1rvv h ALA 62 Ca -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1rvv h ALA 62 Cb 0.38 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rvv h ALA 62 CO 0.05 0.47 -0.03 0.00 0.00 0.00 0.00 179.25 179.74 1rvv h ALA 63 N 1.50 0.18 -0.65 0.00 0.00 -0.63 -0.42 119.26 119.24 1rvv h ALA 63 Ca 0.04 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1rvv h ALA 63 Cb 0.56 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1rvv h ALA 63 CO 0.04 -0.07 0.08 -0.22 0.00 0.00 0.00 179.25 179.07 1rvv h LYS 64 N -0.05 1.10 0.13 0.00 3.64 -1.25 0.38 116.57 120.52 1rvv h LYS 64 Ca 0.03 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 1rvv h LYS 64 Cb 0.45 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1rvv h LYS 64 CO 0.01 1.02 -0.06 0.87 -2.27 0.00 0.00 179.45 179.02 1rvv h LYS 65 N 1.02 -0.17 -0.65 1.90 1.57 -1.34 0.12 116.57 119.02 1rvv h LYS 65 Ca 0.20 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.05 1rvv h LYS 65 Cb 0.47 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 1rvv h LYS 65 CO 0.02 0.02 0.35 0.52 -0.57 0.00 0.00 179.45 179.79 1rvv h MET 66 N -0.34 0.62 -0.41 3.15 2.86 -0.91 -2.83 114.93 117.07 1rvv h MET 66 Ca -0.02 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1rvv h MET 66 Cb 0.27 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1rvv h MET 66 CO 0.03 0.41 0.25 0.00 1.06 0.00 0.00 176.91 178.66 1rvv h ALA 67 N 1.35 0.52 0.00 6.32 0.00 -0.74 -2.21 119.26 124.50 1rvv h ALA 67 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1rvv h ALA 67 Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1rvv h ALA 67 CO -0.19 -0.08 0.00 -0.85 0.00 0.00 0.00 179.25 178.13 1rvv n GLU 68 N -4.85 0.20 0.30 0.00 0.28 0.39 -1.70 120.64 115.26 1rvv n GLU 68 Ca 0.01 0.45 0.17 0.00 -0.16 0.00 0.00 57.16 57.64 1rvv n GLU 68 Cb 0.05 -1.90 0.95 0.00 1.43 0.00 0.00 31.44 31.98 1rvv n GLU 68 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 1rvv h THR 69 N 0.00 0.36 0.00 3.84 1.35 -1.22 -3.46 112.91 113.78 1rvv h THR 69 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1rvv h THR 69 Cb 0.33 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1rvv h THR 69 CO 0.00 0.03 0.00 0.29 -0.25 0.00 0.00 175.52 175.59 1rvv n LYS 70 N -3.54 -0.84 0.24 4.72 5.02 -0.69 -4.91 118.16 118.16 1rvv n LYS 70 Ca -0.03 0.21 0.13 0.00 -2.02 0.00 0.00 58.31 56.60 1rvv n LYS 70 Cb 0.12 -4.04 0.53 0.00 -0.02 0.00 0.00 35.03 31.62 1rvv n LYS 70 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1rvv h LYS 71 N 0.64 0.00 -6.61 1.97 3.64 -1.82 -3.46 116.57 110.93 1rvv h LYS 71 Ca 0.00 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.69 1rvv h LYS 71 Cb 0.42 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.01 1rvv h LYS 71 CO 0.00 0.12 -0.82 0.71 -2.27 0.00 0.00 179.45 177.19 1rvv s TYR 72 N -3.63 2.50 0.06 1.91 2.02 -1.26 -4.81 117.35 114.14 1rvv s TYR 72 Ca 0.01 -0.29 0.13 0.00 -0.37 0.00 0.00 57.07 56.55 1rvv s TYR 72 Cb 0.09 -1.45 0.16 0.00 -0.40 0.00 0.00 41.96 40.37 1rvv s TYR 72 CO 0.60 0.22 1.48 -0.44 -1.57 0.00 0.00 175.55 175.85 1rvv h ASP 73 N 4.62 0.00 -5.00 2.29 3.32 -0.58 -3.47 116.42 117.60 1rvv h ASP 73 Ca -0.47 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.51 1rvv h ASP 73 Cb 1.15 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.51 1rvv h ASP 73 CO 0.47 0.64 0.17 0.00 -1.72 0.00 0.00 179.24 178.79 1rvv s ALA 74 N -3.12 -1.71 -0.11 3.45 0.00 -1.25 -4.38 121.76 114.63 1rvv s ALA 74 Ca 0.01 1.24 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 1rvv s ALA 74 Cb 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1rvv s ALA 74 CO 0.76 -0.38 -0.04 0.42 0.00 0.00 0.00 175.76 176.52 1rvv s ILE 75 N -1.28 3.91 -0.17 0.00 1.01 -0.01 -2.82 121.20 121.85 1rvv s ILE 75 Ca -0.11 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 1rvv s ILE 75 Cb -0.00 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 1rvv s ILE 75 CO 0.09 0.55 -0.01 -0.63 0.00 0.00 0.00 174.94 174.94 1rvv s ILE 76 N -0.26 4.12 -0.17 2.92 1.01 0.55 -0.33 121.20 129.04 1rvv s ILE 76 Ca 0.04 -0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 1rvv s ILE 76 Cb -0.13 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1rvv s ILE 76 CO 0.02 0.47 0.10 0.42 0.00 0.00 0.00 174.94 175.96 1rvv s THR 77 N 0.51 5.17 -0.04 2.92 -4.23 -0.93 -0.37 115.64 118.66 1rvv s THR 77 Ca -0.01 0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1rvv s THR 77 Cb -0.14 -3.31 0.02 0.00 1.34 0.00 0.00 72.50 70.42 1rvv s THR 77 CO 0.02 0.50 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.82 1rvv s LEU 78 N -0.09 1.19 0.15 4.79 1.02 0.08 -1.22 118.68 124.60 1rvv s LEU 78 Ca 0.09 -0.09 -0.24 0.00 0.02 0.00 0.00 54.13 53.91 1rvv s LEU 78 Cb -0.12 -0.37 0.07 0.00 0.02 0.00 0.00 46.19 45.79 1rvv s LEU 78 CO 0.00 -0.09 0.70 -0.83 0.02 0.00 0.00 176.35 176.16 1rvv s GLY 79 N 1.07 -0.46 -0.03 -3.19 0.00 -1.15 -1.63 107.32 101.93 1rvv s GLY 79 Ca -0.09 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1rvv s GLY 79 CO -0.01 0.13 0.01 -1.59 0.00 0.00 0.00 173.10 171.64 1rvv s THR 80 N -3.64 0.11 -0.22 0.90 2.01 -1.26 -0.65 115.64 112.90 1rvv s THR 80 Ca 0.04 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.20 1rvv s THR 80 Cb -0.02 -0.23 0.05 0.00 0.01 0.00 0.00 72.50 72.31 1rvv s THR 80 CO -0.07 0.14 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.21 1rvv s VAL 81 N 1.16 1.74 -0.21 3.82 1.01 -0.38 -4.65 120.40 122.89 1rvv s VAL 81 Ca -0.08 -1.17 -0.07 0.00 0.00 0.00 0.00 61.98 60.66 1rvv s VAL 81 Cb -0.13 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1rvv s VAL 81 CO -0.02 0.09 0.06 -0.63 0.00 0.00 0.00 175.10 174.60 1rvv s ILE 82 N 1.34 4.46 0.10 2.22 1.01 -1.26 -1.18 121.20 127.88 1rvv s ILE 82 Ca -0.03 -0.14 -0.35 0.00 0.00 0.00 0.00 60.65 60.13 1rvv s ILE 82 Cb -0.17 -3.04 -0.18 0.00 0.01 0.00 0.00 42.46 39.08 1rvv s ILE 82 CO -0.07 0.40 1.04 0.54 0.00 0.00 0.00 174.94 176.85 1rvv n ARG 83 N 4.20 0.50 0.00 2.79 5.12 0.27 -4.94 116.66 124.60 1rvv n ARG 83 Ca -0.16 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1rvv n ARG 83 Cb 0.52 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 1rvv n ARG 83 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rvv n GLY 84 N 1.88 3.75 0.17 -0.13 0.00 -1.26 -4.75 105.19 104.85 1rvv n GLY 84 Ca 0.18 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 1rvv n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rvv h ALA 85 N 0.17 0.52 -4.84 4.61 0.00 -2.01 -3.47 119.26 114.24 1rvv h ALA 85 Ca 0.00 -0.64 -0.43 0.00 0.00 0.00 0.00 54.91 53.84 1rvv h ALA 85 Cb 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 1rvv h ALA 85 CO 0.00 0.79 -0.29 0.25 0.00 0.00 0.00 179.25 179.99 1rvv n THR 86 N -3.80 0.00 1.42 0.00 -2.24 -1.26 -5.04 114.28 103.36 1rvv n THR 86 Ca -0.05 -1.58 0.15 0.00 -2.27 0.00 0.00 64.05 60.30 1rvv n THR 86 Cb 0.75 0.21 0.74 0.00 -2.10 0.00 0.00 70.33 69.93 1rvv n THR 86 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1rvv n THR 87 N -0.97 0.00 -0.24 4.28 -2.24 -1.26 -4.36 114.28 109.50 1rvv n THR 87 Ca -0.11 -0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.69 1rvv n THR 87 Cb 0.43 -0.45 0.12 0.00 -2.10 0.00 0.00 70.33 68.33 1rvv n THR 87 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1rvv h HIS 88 N 0.05 -0.12 -0.26 4.78 -0.00 -1.98 -0.54 115.15 117.09 1rvv h HIS 88 Ca 0.00 0.05 0.04 0.00 -0.00 0.00 0.00 60.37 60.47 1rvv h HIS 88 Cb 0.30 0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.83 1rvv h HIS 88 CO 0.00 -0.23 -0.10 0.98 -0.00 0.00 0.00 177.93 178.58 1rvv n TYR 89 N -5.36 0.01 -0.03 5.26 9.36 -1.26 -2.01 117.16 123.13 1rvv n TYR 89 Ca 0.11 0.32 -0.14 0.00 3.32 0.00 0.00 57.90 61.52 1rvv n TYR 89 Cb 0.41 -0.60 -0.10 0.00 -0.63 0.00 0.00 39.34 38.42 1rvv n TYR 89 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1rvv h ASP 90 N 0.00 0.11 -0.68 2.98 3.58 -1.43 -0.16 116.42 120.82 1rvv h ASP 90 Ca 0.09 -0.61 0.12 0.00 0.42 0.00 0.00 57.03 57.06 1rvv h ASP 90 Cb 0.16 -0.03 -0.09 0.00 1.72 0.00 0.00 39.33 41.09 1rvv h ASP 90 CO -0.26 0.69 0.23 1.88 -2.88 0.00 0.00 179.24 178.90 1rvv h TYR 91 N -0.48 0.39 0.77 0.28 0.05 -1.47 0.32 116.97 116.83 1rvv h TYR 91 Ca -0.00 0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.78 1rvv h TYR 91 Cb 0.68 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.35 1rvv h TYR 91 CO 0.13 0.04 -0.43 0.28 -1.05 0.00 0.00 178.16 177.13 1rvv h VAL 92 N 0.38 0.00 -0.69 -2.88 2.07 -1.27 -1.20 116.25 112.65 1rvv h VAL 92 Ca 0.36 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.03 1rvv h VAL 92 Cb 0.52 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.17 1rvv h VAL 92 CO -0.39 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.15 1rvv h ASN 94 N 0.07 -0.28 -0.12 0.00 2.35 -0.36 -1.01 115.58 116.24 1rvv h ASN 94 Ca 0.36 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1rvv h ASN 94 Cb 0.60 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1rvv h ASN 94 CO -0.64 -0.01 0.05 -0.33 -1.65 0.00 0.00 177.43 174.85 1rvv h GLU 95 N -0.54 0.18 -0.43 0.81 4.39 -0.85 -1.98 114.58 116.14 1rvv h GLU 95 Ca -0.03 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.69 1rvv h GLU 95 Cb 0.40 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.94 1rvv h GLU 95 CO 0.05 0.26 -0.56 0.00 -1.16 0.00 0.00 179.01 177.61 1rvv h ALA 96 N 0.90 -0.77 -0.86 3.43 0.00 -0.93 -0.06 119.26 120.97 1rvv h ALA 96 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1rvv h ALA 96 Cb 0.15 1.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1rvv h ALA 96 CO -0.00 -1.05 0.56 0.00 0.00 0.00 0.00 179.25 178.75 1rvv h ALA 97 N -0.01 1.13 -0.37 0.00 0.00 -0.85 -2.08 119.26 117.07 1rvv h ALA 97 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1rvv h ALA 97 Cb 0.59 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1rvv h ALA 97 CO -0.61 0.41 0.13 -0.22 0.00 0.00 0.00 179.25 178.96 1rvv h LYS 98 N 1.09 0.56 -0.40 0.00 3.64 -1.01 -0.50 116.57 119.94 1rvv h LYS 98 Ca 0.34 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.47 1rvv h LYS 98 Cb -0.01 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1rvv h LYS 98 CO -0.11 0.55 -0.31 0.78 -2.27 0.00 0.00 179.45 178.09 1rvv h GLY 99 N 0.44 0.95 0.96 5.01 0.00 -0.73 -0.55 103.07 109.15 1rvv h GLY 99 Ca 0.12 -0.90 -0.00 0.00 0.00 0.00 0.00 47.33 46.55 1rvv h GLY 99 CO -0.01 0.81 0.00 -2.22 0.00 0.00 0.00 176.54 175.13 1rvv h ILE 100 N 0.73 1.03 -0.37 2.60 2.04 -1.21 0.19 117.51 122.52 1rvv h ILE 100 Ca 0.08 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 65.92 1rvv h ILE 100 Cb 0.87 1.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.96 1rvv h ILE 100 CO 0.08 0.03 -0.21 0.00 0.00 0.00 0.00 178.15 178.04 1rvv h ALA 101 N 0.96 0.04 -0.64 1.87 0.00 -0.98 -2.66 119.26 117.85 1rvv h ALA 101 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rvv h ALA 101 Cb 0.04 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1rvv h ALA 101 CO -0.00 -0.59 0.40 0.37 0.00 0.00 0.00 179.25 179.43 1rvv h GLN 102 N -0.15 0.86 -0.83 0.00 -0.00 -0.07 -2.38 115.11 112.54 1rvv h GLN 102 Ca 0.18 -0.07 0.07 0.00 -0.00 0.00 0.00 58.65 58.84 1rvv h GLN 102 Cb 0.44 -0.18 -0.07 0.00 0.00 0.00 0.00 27.48 27.67 1rvv h GLN 102 CO -0.46 0.60 0.50 0.00 0.00 0.00 0.00 178.83 179.47 1rvv h ALA 103 N 1.21 1.16 -0.43 3.38 0.00 -0.35 0.88 119.26 125.11 1rvv h ALA 103 Ca 0.23 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1rvv h ALA 103 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1rvv h ALA 103 CO -0.05 0.19 -0.19 0.00 0.00 0.00 0.00 179.25 179.21 1rvv h ALA 104 N 1.42 0.85 -0.38 0.00 0.00 -1.11 -2.57 119.26 117.48 1rvv h ALA 104 Ca 0.38 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1rvv h ALA 104 Cb 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1rvv h ALA 104 CO -0.20 0.64 -0.10 -0.97 0.00 0.00 0.00 179.25 178.62 1rvv h ASN 105 N 0.74 0.74 0.45 0.00 -0.73 -0.97 0.47 115.58 116.27 1rvv h ASN 105 Ca 0.11 -0.37 -0.29 0.00 1.87 0.00 0.00 56.30 57.62 1rvv h ASN 105 Cb 0.72 -0.20 0.02 0.00 0.27 0.00 0.00 38.32 39.12 1rvv h ASN 105 CO 0.06 0.94 -1.26 0.71 -0.37 0.00 0.00 177.43 177.50 1rvv h THR 106 N 0.53 1.41 0.00 -3.57 1.35 -0.90 -3.35 112.91 108.39 1rvv h THR 106 Ca 0.09 -2.83 -0.09 0.00 -0.55 0.00 0.00 66.41 63.04 1rvv h THR 106 Cb 0.62 2.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.90 1rvv h THR 106 CO 0.04 0.84 -0.82 0.00 -0.25 0.00 0.00 175.52 175.33 1rvv h THR 107 N 0.14 0.46 -0.09 6.82 1.03 -1.36 -3.48 112.91 116.43 1rvv h THR 107 Ca -0.16 -1.74 -0.04 0.00 -0.01 0.00 0.00 66.41 64.46 1rvv h THR 107 Cb 1.96 2.06 -0.01 0.00 -1.07 0.00 0.00 68.15 71.09 1rvv h THR 107 CO 0.22 0.26 -0.03 0.61 -0.01 0.00 0.00 175.52 176.57 1rvv n GLY 108 N 1.25 0.43 3.43 2.99 0.00 0.16 -5.00 105.19 108.46 1rvv n GLY 108 Ca -0.02 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1rvv n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rvv s VAL 109 N -1.70 3.39 0.06 1.61 1.01 -1.20 -5.05 120.40 118.53 1rvv s VAL 109 Ca 0.00 -0.54 -0.34 0.00 0.00 0.00 0.00 61.98 61.10 1rvv s VAL 109 Cb 0.00 -2.45 -0.13 0.00 0.00 0.00 0.00 36.38 33.81 1rvv s VAL 109 CO 0.00 0.52 1.74 -2.65 0.00 0.00 0.00 175.10 174.70 1rvv n PRO 110 N 3.47 2.27 -4.05 2.72 -0.02 -1.26 -4.32 135.00 133.82 1rvv n PRO 110 Ca -0.18 0.83 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 1rvv n PRO 110 Cb 0.53 -2.65 -0.15 0.00 -0.02 0.00 0.00 33.50 31.21 1rvv n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rvv s VAL 111 N 2.41 2.17 0.23 -1.45 1.01 -1.26 -0.83 120.40 122.68 1rvv s VAL 111 Ca 0.85 -1.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1rvv s VAL 111 Cb -0.65 -2.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.28 1rvv s VAL 111 CO 0.43 -0.18 1.05 -0.63 0.00 0.00 0.00 175.10 175.77 1rvv s ILE 112 N 1.06 3.79 -0.76 2.22 1.09 0.55 -4.88 121.20 124.26 1rvv s ILE 112 Ca -0.04 1.71 -0.22 0.00 -1.10 0.00 0.00 60.65 61.01 1rvv s ILE 112 Cb -0.20 -4.09 0.09 0.00 -1.06 0.00 0.00 42.46 37.20 1rvv s ILE 112 CO -0.06 0.37 1.05 0.12 -0.10 0.00 0.00 174.94 176.32 1rvv s PHE 113 N -0.85 2.78 -0.36 3.97 5.36 -1.26 -2.19 117.98 125.43 1rvv s PHE 113 Ca 0.45 -0.80 0.06 0.00 -0.96 0.00 0.00 56.93 55.68 1rvv s PHE 113 Cb -0.29 -4.32 0.49 0.00 -0.34 0.00 0.00 43.02 38.55 1rvv s PHE 113 CO 0.36 -1.63 1.50 0.41 -1.46 0.00 0.00 175.22 174.40 1rvv n GLY 114 N 5.47 5.49 3.56 13.12 0.00 -0.36 -4.97 105.19 127.50 1rvv n GLY 114 Ca 0.07 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 1rvv n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rvv s ILE 115 N -3.90 4.58 -0.20 -0.61 1.01 -1.26 -2.94 121.20 117.88 1rvv s ILE 115 Ca 0.50 0.68 -0.27 0.00 0.00 0.00 0.00 60.65 61.56 1rvv s ILE 115 Cb 0.43 -4.35 -0.00 0.00 0.01 0.00 0.00 42.46 38.54 1rvv s ILE 115 CO 0.01 -0.71 0.93 -0.69 0.00 0.00 0.00 174.94 174.48 1rvv s VAL 116 N 3.47 4.78 -0.19 2.92 1.01 0.18 -4.93 120.40 127.64 1rvv s VAL 116 Ca 0.34 1.82 0.01 0.00 0.00 0.00 0.00 61.98 64.15 1rvv s VAL 116 Cb -0.11 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.08 1rvv s VAL 116 CO 0.23 -0.08 -0.17 0.28 0.00 0.00 0.00 175.10 175.36 1rvv s THR 117 N 2.71 1.99 0.30 3.92 -1.32 -1.26 -1.25 115.64 120.73 1rvv s THR 117 Ca 0.41 -1.03 0.05 0.00 -1.21 0.00 0.00 61.69 59.90 1rvv s THR 117 Cb -0.16 -1.88 -0.03 0.00 -1.51 0.00 0.00 72.50 68.92 1rvv s THR 117 CO 0.09 0.40 0.23 0.42 -2.21 0.00 0.00 174.62 173.55 1rvv s THR 118 N 1.29 0.05 -0.12 5.08 -4.23 -0.32 -4.98 115.64 112.40 1rvv s THR 118 Ca 0.02 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.74 1rvv s THR 118 Cb -0.14 -2.49 -0.20 0.00 1.34 0.00 0.00 72.50 71.00 1rvv s THR 118 CO -0.11 0.00 0.65 -0.62 -0.54 0.00 0.00 174.62 174.00 1rvv n GLU 119 N -0.55 0.64 -3.88 3.99 -0.58 -1.26 -0.57 120.64 118.43 1rvv n GLU 119 Ca 0.05 -0.02 -0.08 0.00 -0.42 0.00 0.00 57.16 56.70 1rvv n GLU 119 Cb 0.63 -1.65 -0.02 0.00 -0.57 0.00 0.00 31.44 29.83 1rvv n GLU 119 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1rvv s ASN 120 N -5.07 -0.19 0.28 1.62 2.20 -1.26 -4.32 114.94 108.19 1rvv s ASN 120 Ca -0.05 -0.73 -0.02 0.00 -0.94 0.00 0.00 52.86 51.12 1rvv s ASN 120 Cb 0.11 0.72 0.39 0.00 -2.00 0.00 0.00 41.25 40.46 1rvv s ASN 120 CO 0.85 -1.34 1.87 0.40 -2.94 0.00 0.00 177.10 175.93 1rvv h ILE 121 N 2.05 1.22 -0.00 0.54 2.04 -1.95 -3.00 117.51 118.40 1rvv h ILE 121 Ca -0.22 -0.67 -0.14 0.00 1.00 0.00 0.00 64.86 64.83 1rvv h ILE 121 Cb 1.25 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1rvv h ILE 121 CO 0.27 0.27 -0.66 1.05 0.00 0.00 0.00 178.15 179.09 1rvv h GLU 122 N 0.94 0.02 0.14 2.37 4.11 -1.99 -1.19 114.58 118.97 1rvv h GLU 122 Ca 0.23 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.64 1rvv h GLU 122 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1rvv h GLU 122 CO -0.02 0.67 -0.09 1.96 0.07 0.00 0.00 179.01 181.59 1rvv h GLN 123 N 0.01 -0.22 -0.94 1.06 4.20 -1.98 -0.10 115.11 117.14 1rvv h GLN 123 Ca -0.01 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.79 1rvv h GLN 123 Cb 1.16 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.93 1rvv h GLN 123 CO 0.09 -0.15 0.59 0.00 -0.67 0.00 0.00 178.83 178.69 1rvv h ALA 124 N 0.63 1.31 -0.61 3.87 0.00 -1.31 -2.29 119.26 120.86 1rvv h ALA 124 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1rvv h ALA 124 Cb 0.20 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1rvv h ALA 124 CO 0.00 0.33 0.25 0.82 0.00 0.00 0.00 179.25 180.66 1rvv h ILE 125 N 1.05 1.21 -0.68 0.00 2.04 -0.91 -2.57 117.51 117.66 1rvv h ILE 125 Ca 0.42 -0.66 0.08 0.00 1.00 0.00 0.00 64.86 65.70 1rvv h ILE 125 Cb 0.22 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1rvv h ILE 125 CO -0.19 0.26 0.45 -0.33 0.00 0.00 0.00 178.15 178.34 1rvv h GLU 126 N 0.87 0.59 -0.67 2.37 5.08 -0.43 -2.56 114.58 119.83 1rvv h GLU 126 Ca 0.21 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1rvv h GLU 126 Cb 0.16 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1rvv h GLU 126 CO -0.02 0.39 0.00 0.54 -1.00 0.00 0.00 179.01 178.92 1rvv n ARG 127 N -4.48 2.57 -1.61 2.33 1.74 -0.99 -0.44 116.66 115.79 1rvv n ARG 127 Ca 0.11 -2.41 -0.13 0.00 -0.77 0.00 0.00 57.85 54.64 1rvv n ARG 127 Cb 0.30 -1.53 0.08 0.00 -1.02 0.00 0.00 32.46 30.29 1rvv n ARG 127 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rvv n ALA 128 N 1.45 4.47 0.00 7.54 0.00 -0.97 -1.37 120.51 131.63 1rvv n ALA 128 Ca 0.22 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 50.09 1rvv n ALA 128 Cb 0.57 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1rvv n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rvv n GLY 129 N -0.81 1.82 0.00 0.00 0.00 0.63 -4.81 105.19 102.02 1rvv n GLY 129 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1rvv n GLY 129 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rvv n THR 130 N -0.56 0.00 -0.18 2.61 -1.04 -1.16 -4.93 114.28 109.02 1rvv n THR 130 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1rvv n THR 130 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1rvv n THR 130 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1rvv n LYS 131 N 0.00 -0.12 -0.75 -2.82 5.02 -1.25 -1.44 118.16 116.80 1rvv n LYS 131 Ca 0.00 0.72 -0.12 0.00 -2.02 0.00 0.00 58.31 56.89 1rvv n LYS 131 Cb 0.00 -1.07 0.14 0.00 -0.02 0.00 0.00 35.03 34.08 1rvv n LYS 131 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rvv n ALA 132 N -3.74 4.32 -0.82 7.82 0.00 0.41 -5.04 120.51 123.46 1rvv n ALA 132 Ca 0.04 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.73 1rvv n ALA 132 Cb 0.18 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1rvv n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rvv n GLY 133 N -0.41 0.72 2.77 0.00 0.00 -0.52 -4.75 105.19 103.00 1rvv n GLY 133 Ca 0.35 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 1rvv n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rvv s ASN 134 N -4.00 2.41 0.41 1.61 3.84 -1.26 -0.27 114.94 117.68 1rvv s ASN 134 Ca 0.00 -0.53 0.13 0.00 0.21 0.00 0.00 52.86 52.67 1rvv s ASN 134 Cb 0.00 -0.57 0.97 0.00 -0.55 0.00 0.00 41.25 41.10 1rvv s ASN 134 CO 0.00 -0.25 1.92 0.50 -2.79 0.00 0.00 177.10 176.48 1rvv h LYS 135 N 8.26 0.49 -0.52 0.43 3.64 -1.52 -1.06 116.57 126.29 1rvv h LYS 135 Ca -0.19 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 1rvv h LYS 135 Cb 1.12 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 1rvv h LYS 135 CO 0.32 0.32 0.21 0.78 -2.27 0.00 0.00 179.45 178.80 1rvv h GLY 136 N 0.50 0.81 0.83 5.01 0.00 -1.83 -0.11 103.07 108.28 1rvv h GLY 136 Ca 0.37 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1rvv h GLY 136 CO -0.13 0.38 -0.27 -2.08 0.00 0.00 0.00 176.54 174.45 1rvv h VAL 137 N 0.75 0.38 -0.91 4.60 2.07 -1.41 -1.95 116.25 119.78 1rvv h VAL 137 Ca 0.18 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1rvv h VAL 137 Cb 0.16 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1rvv h VAL 137 CO -0.02 0.04 0.60 0.44 0.02 0.00 0.00 177.57 178.65 1rvv h ASP 138 N -0.93 0.98 -0.27 0.57 3.32 -1.13 -1.73 116.42 117.23 1rvv h ASP 138 Ca -0.08 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.00 1rvv h ASP 138 Cb 0.64 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1rvv h ASP 138 CO 0.13 0.67 0.04 0.00 -1.72 0.00 0.00 179.24 178.35 1rvv h ALA 140 N 1.20 0.82 -0.25 0.00 0.00 -0.52 -0.49 119.26 120.02 1rvv h ALA 140 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1rvv h ALA 140 Cb 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1rvv h ALA 140 CO -0.18 -0.09 0.17 0.28 0.00 0.00 0.00 179.25 179.43 1rvv h VAL 141 N 0.52 1.07 -0.50 0.00 2.07 -0.94 -2.07 116.25 116.40 1rvv h VAL 141 Ca 0.30 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.62 1rvv h VAL 141 Cb 0.29 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1rvv h VAL 141 CO -0.24 0.07 0.08 0.28 0.02 0.00 0.00 177.57 177.77 1rvv h SER 142 N 0.34 0.74 -0.35 0.57 0.02 -0.86 -2.44 113.55 111.57 1rvv h SER 142 Ca 0.09 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1rvv h SER 142 Cb -0.03 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1rvv h SER 142 CO -0.02 0.76 0.21 0.00 -1.14 0.00 0.00 176.83 176.64 1rvv h ALA 143 N 1.34 0.45 -0.30 3.77 0.00 -0.89 -0.43 119.26 123.20 1rvv h ALA 143 Ca 0.16 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1rvv h ALA 143 Cb 0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1rvv h ALA 143 CO 0.01 -0.05 0.16 0.82 0.00 0.00 0.00 179.25 180.18 1rvv h ILE 144 N 0.46 1.01 0.23 0.00 2.04 -1.16 0.29 117.51 120.38 1rvv h ILE 144 Ca 0.13 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1rvv h ILE 144 Cb 0.01 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1rvv h ILE 144 CO -0.02 0.06 -0.36 -0.08 0.00 0.00 0.00 178.15 177.75 1rvv h GLU 145 N 0.33 -0.64 -0.69 2.37 4.81 -1.33 0.19 114.58 119.63 1rvv h GLU 145 Ca 0.12 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1rvv h GLU 145 Cb 0.02 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1rvv h GLU 145 CO -0.07 -0.42 0.43 0.52 -0.73 0.00 0.00 179.01 178.74 1rvv h MET 146 N -0.66 0.81 -0.42 1.92 2.86 -0.99 0.14 114.93 118.58 1rvv h MET 146 Ca 0.00 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1rvv h MET 146 Cb 0.64 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1rvv h MET 146 CO -0.14 0.53 0.18 0.00 1.06 0.00 0.00 176.91 178.54 1rvv h ALA 147 N 1.30 0.51 -0.54 6.32 0.00 -0.72 -0.98 119.26 125.15 1rvv h ALA 147 Ca 0.28 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1rvv h ALA 147 Cb 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1rvv h ALA 147 CO -0.12 -0.20 0.12 -0.91 0.00 0.00 0.00 179.25 178.14 1rvv h ASN 148 N 0.37 0.84 -0.19 0.00 -0.26 -0.28 -3.09 115.58 112.97 1rvv h ASN 148 Ca 0.19 -0.24 -0.10 0.00 -0.56 0.00 0.00 56.30 55.58 1rvv h ASN 148 Cb 0.14 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 1rvv h ASN 148 CO -0.16 0.87 -0.22 0.25 -1.06 0.00 0.00 177.43 177.10 1rvv h LEU 149 N 0.78 0.64 -1.17 1.61 5.85 -0.50 -2.97 115.31 119.55 1rvv h LEU 149 Ca 0.17 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1rvv h LEU 149 Cb 0.36 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1rvv h LEU 149 CO 0.00 0.85 -0.05 -1.13 -0.34 0.00 0.00 178.44 177.78 1rvv h ASN 150 N 0.56 0.00 0.07 1.25 -0.00 -1.10 0.14 115.58 116.50 1rvv h ASN 150 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.37 1rvv h ASN 150 Cb 0.68 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.00 1rvv h ASN 150 CO 0.05 0.05 -0.07 0.03 -0.00 0.00 0.00 177.43 177.49 1rvv h ARG 151 N 0.00 0.00 0.00 6.67 3.08 -1.47 0.23 114.38 122.89 1rvv h ARG 151 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rvv h ARG 151 Cb 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 1rvv h ARG 151 CO 0.01 0.07 -0.02 0.77 -1.07 0.00 0.00 179.97 179.72 1rvv h SER 152 N 0.00 0.00 -0.39 7.04 0.02 -0.84 -2.83 113.55 116.55 1rvv h SER 152 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rvv h SER 152 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1rvv h SER 152 CO 0.01 0.02 0.00 0.49 -1.14 0.00 0.00 176.83 176.21 1rvv n PHE 153 N -3.14 0.79 -0.87 3.45 3.72 0.81 -5.17 117.46 117.05 1rvv n PHE 153 Ca -0.00 -0.33 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 1rvv n PHE 153 Cb 0.26 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1rvv n PHE 153 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10