#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3grr s PHE 12 N 2.55 3.81 -0.34 0.00 0.08 -0.52 -4.82 117.98 118.74 3grr s PHE 12 Ca 0.14 1.62 -0.29 0.00 0.12 0.00 0.00 56.93 58.53 3grr s PHE 12 Cb -0.19 -2.78 0.01 0.00 -0.57 0.00 0.00 43.02 39.49 3grr s PHE 12 CO 0.12 0.41 1.19 -1.17 -0.10 0.00 0.00 175.22 175.67 3grr s LEU 13 N -1.54 3.85 0.00 -0.37 2.96 -1.26 -0.20 118.68 122.12 3grr s LEU 13 Ca 0.41 1.02 0.13 0.00 -0.22 0.00 0.00 54.13 55.48 3grr s LEU 13 Cb -0.21 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.80 3grr s LEU 13 CO 0.25 -1.04 0.57 2.30 -1.32 0.00 0.00 176.35 177.11 3grr n ILE 14 N 6.20 0.00 -3.25 6.68 -5.35 0.13 -4.90 119.36 118.87 3grr n ILE 14 Ca 0.13 -0.19 -0.42 0.00 -0.27 0.00 0.00 62.75 61.99 3grr n ILE 14 Cb 0.47 1.01 -0.08 0.00 -1.74 0.00 0.00 39.64 39.30 3grr n ILE 14 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3grr s ASP 15 N -2.23 6.26 0.55 7.28 -1.08 -0.94 -4.93 116.67 121.59 3grr s ASP 15 Ca 0.05 -0.40 0.31 0.00 -0.52 0.00 0.00 52.55 52.00 3grr s ASP 15 Cb 0.10 -2.26 1.62 0.00 -1.46 0.00 0.00 42.92 40.93 3grr s ASP 15 CO 0.54 -0.60 2.12 0.07 0.52 0.00 0.00 175.17 177.82 3grr h LYS 16 N 8.69 0.00 -0.68 4.34 5.09 -1.92 -2.34 116.57 129.75 3grr h LYS 16 Ca -0.27 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.44 3grr h LYS 16 Cb 1.11 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.41 3grr h LYS 16 CO 0.81 0.08 0.29 -0.91 -2.09 0.00 0.00 179.45 177.63 3grr h ASN 17 N 0.00 0.90 0.38 7.07 2.35 -1.99 0.76 115.58 125.06 3grr h ASN 17 Ca -0.00 -0.11 -0.24 0.00 -0.55 0.00 0.00 56.30 55.39 3grr h ASN 17 Cb 0.29 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.43 3grr h ASN 17 CO 0.01 0.79 -1.04 -0.26 -1.65 0.00 0.00 177.43 175.28 3grr h PHE 18 N 0.98 0.62 -0.35 1.19 0.04 -1.84 -2.38 116.94 115.20 3grr h PHE 18 Ca 0.23 -0.37 0.07 0.00 2.80 0.00 0.00 57.97 60.70 3grr h PHE 18 Cb 0.15 -0.06 -0.07 0.00 2.20 0.00 0.00 35.95 38.18 3grr h PHE 18 CO 0.01 1.21 -0.08 0.28 -0.60 0.00 0.00 178.31 179.14 3grr h VAL 19 N 0.20 0.66 -0.84 -0.55 2.07 -1.32 -1.95 116.25 114.52 3grr h VAL 19 Ca -0.10 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.44 3grr h VAL 19 Cb 1.70 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 3grr h VAL 19 CO 0.18 0.00 0.55 0.78 0.02 0.00 0.00 177.57 179.10 3grr h ASN 20 N 0.01 0.91 -0.54 0.57 2.35 -0.81 -1.20 115.58 116.86 3grr h ASN 20 Ca 0.17 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 3grr h ASN 20 Cb 0.25 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3grr h ASN 20 CO -0.35 0.64 0.23 0.50 -1.65 0.00 0.00 177.43 176.79 3grr h LYS 21 N 1.07 0.80 -0.26 0.81 3.64 -1.13 0.84 116.57 122.34 3grr h LYS 21 Ca 0.33 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3grr h LYS 21 Cb -0.02 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3grr h LYS 21 CO -0.10 0.69 0.05 0.00 -2.27 0.00 0.00 179.45 177.82 3grr h ALA 22 N 1.07 0.35 -0.13 5.00 0.00 -1.03 -2.08 119.26 122.44 3grr h ALA 22 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3grr h ALA 22 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3grr h ALA 22 CO -0.02 0.02 0.03 0.28 0.00 0.00 0.00 179.25 179.57 3grr h VAL 23 N 0.25 1.19 -0.82 0.00 2.07 -1.04 -2.39 116.25 115.50 3grr h VAL 23 Ca 0.08 -0.59 0.11 0.00 0.82 0.00 0.00 66.70 67.11 3grr h VAL 23 Cb 0.32 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 3grr h VAL 23 CO 0.00 0.18 0.46 -0.08 0.02 0.00 0.00 177.57 178.15 3grr h GLU 24 N 0.01 0.72 0.00 1.57 4.22 -0.85 -1.19 114.58 119.05 3grr h GLU 24 Ca 0.04 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 3grr h GLU 24 Cb 0.24 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3grr h GLU 24 CO -0.00 0.47 -0.20 1.03 -2.18 0.00 0.00 179.01 178.14 3grr h SER 25 N 0.74 0.00 0.62 1.04 0.87 -1.21 -2.38 113.55 113.23 3grr h SER 25 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 3grr h SER 25 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3grr h SER 25 CO -0.28 0.20 0.00 0.00 -0.53 0.00 0.00 176.83 176.22 3grr n ALA 26 N -2.32 2.11 -4.04 6.23 0.00 -0.45 -4.94 120.51 117.10 3grr n ALA 26 Ca -0.01 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.05 3grr n ALA 26 Cb 0.31 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 3grr n ALA 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3grr n ASN 27 N -1.40 -0.47 -4.77 0.00 5.15 -0.90 -4.89 115.26 107.98 3grr n ASN 27 Ca 0.08 -1.10 -0.38 0.00 -0.60 0.00 0.00 54.58 52.59 3grr n ASN 27 Cb 0.23 -2.61 -0.04 0.00 -0.53 0.00 0.00 39.78 36.83 3grr n ASN 27 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3grr s LEU 28 N -7.07 4.25 0.28 1.20 1.43 -1.26 -5.07 118.68 112.43 3grr s LEU 28 Ca 0.06 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.31 3grr s LEU 28 Cb -0.02 -4.02 -0.04 0.00 0.03 0.00 0.00 46.19 42.13 3grr s LEU 28 CO 0.92 -0.43 0.12 0.42 0.23 0.00 0.00 176.35 177.61 3grr s THR 29 N -1.50 0.43 -2.00 5.49 -4.23 -1.25 -4.95 115.64 107.63 3grr s THR 29 Ca 0.54 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.17 3grr s THR 29 Cb -0.26 -2.57 0.32 0.00 1.34 0.00 0.00 72.50 71.33 3grr s THR 29 CO 0.32 0.00 1.14 0.29 -0.54 0.00 0.00 174.62 175.83 3grr n LYS 30 N -0.51 0.55 0.00 3.99 4.76 -1.21 -1.51 118.16 124.23 3grr n LYS 30 Ca 0.00 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.54 3grr n LYS 30 Cb 0.66 -1.32 -0.06 0.00 -1.84 0.00 0.00 35.03 32.46 3grr n LYS 30 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3grr n ASP 31 N -0.82 1.38 -4.80 4.39 8.00 -1.26 -3.65 116.55 119.78 3grr n ASP 31 Ca 0.09 -1.19 -0.37 0.00 0.71 0.00 0.00 54.79 54.03 3grr n ASP 31 Cb 0.04 0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 41.83 3grr n ASP 31 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3grr s ASP 32 N -2.57 7.18 -0.17 -2.24 1.01 -0.57 -4.84 116.67 114.46 3grr s ASP 32 Ca 0.12 1.53 0.00 0.00 0.71 0.00 0.00 52.55 54.91 3grr s ASP 32 Cb 0.15 -2.46 0.01 0.00 1.01 0.00 0.00 42.92 41.63 3grr s ASP 32 CO 0.66 0.07 -0.17 -0.69 0.21 0.00 0.00 175.17 175.25 3grr s VAL 33 N -1.44 2.38 -0.13 -1.27 1.01 -1.26 -0.31 120.40 119.38 3grr s VAL 33 Ca 0.42 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 3grr s VAL 33 Cb -0.19 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3grr s VAL 33 CO 0.23 0.52 -0.02 -0.69 0.00 0.00 0.00 175.10 175.14 3grr s VAL 34 N 1.12 4.08 -0.22 2.92 1.01 -0.41 -1.07 120.40 127.83 3grr s VAL 34 Ca 0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 3grr s VAL 34 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3grr s VAL 34 CO -0.07 0.53 0.29 -0.22 0.00 0.00 0.00 175.10 175.63 3grr s LEU 35 N -0.08 4.14 -0.10 3.92 2.96 0.39 -0.95 118.68 128.96 3grr s LEU 35 Ca 0.03 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 3grr s LEU 35 Cb -0.13 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 3grr s LEU 35 CO 0.02 -0.01 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.26 3grr s GLU 36 N 1.20 3.03 -0.32 1.98 2.12 0.15 -1.66 118.70 125.20 3grr s GLU 36 Ca 0.14 -0.58 -0.12 0.00 0.36 0.00 0.00 54.97 54.76 3grr s GLU 36 Cb -0.14 -2.64 -0.02 0.00 0.26 0.00 0.00 34.13 31.58 3grr s GLU 36 CO 0.06 0.49 0.22 0.42 -0.54 0.00 0.00 175.26 175.91 3grr s ILE 37 N -0.34 5.22 0.00 -3.70 -1.09 -1.26 -1.26 121.20 118.77 3grr s ILE 37 Ca 0.04 -0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.33 3grr s ILE 37 Cb -0.12 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 3grr s ILE 37 CO 0.02 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.41 3grr n GLY 38 N 5.08 -1.14 0.12 6.18 0.00 0.21 -4.40 105.19 111.24 3grr n GLY 38 Ca -0.13 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.48 3grr n GLY 38 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3grr n LEU 39 N -0.37 2.25 0.00 0.99 7.94 -1.26 -4.88 117.00 121.67 3grr n LEU 39 Ca 0.00 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 3grr n LEU 39 Cb 0.00 -1.04 0.00 0.00 0.53 0.00 0.00 43.42 42.91 3grr n LEU 39 CO 0.00 0.57 0.00 0.61 -1.11 0.00 0.00 177.39 177.46 3grr n GLY 40 N 1.71 2.81 0.00 -3.96 0.00 -1.26 -1.43 105.19 103.06 3grr n GLY 40 Ca -0.33 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.53 3grr n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3grr n LYS 41 N 14.00 0.17 -0.82 1.61 4.76 -1.26 -4.92 118.16 131.70 3grr n LYS 41 Ca 0.00 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 3grr n LYS 41 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 3grr n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3grr n GLY 42 N 1.23 0.50 0.11 0.72 0.00 -0.52 -4.96 105.19 102.27 3grr n GLY 42 Ca 0.09 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 3grr n GLY 42 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3grr h ILE 43 N 0.00 1.33 -0.48 -0.61 2.04 -1.91 -1.17 117.51 116.71 3grr h ILE 43 Ca 0.00 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.67 3grr h ILE 43 Cb 0.00 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3grr h ILE 43 CO 0.00 0.33 0.13 0.25 0.00 0.00 0.00 178.15 178.86 3grr h LEU 44 N -0.11 0.71 -0.72 1.44 5.85 -1.90 -3.18 115.31 117.41 3grr h LEU 44 Ca 0.02 -0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.62 3grr h LEU 44 Cb 0.56 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 3grr h LEU 44 CO 0.02 0.75 0.35 0.74 -0.34 0.00 0.00 178.44 179.96 3grr h THR 45 N 0.64 0.83 -0.71 1.05 2.02 -1.83 -1.46 112.91 113.46 3grr h THR 45 Ca 0.15 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 3grr h THR 45 Cb 0.30 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 3grr h THR 45 CO -0.00 0.11 0.31 -0.08 0.37 0.00 0.00 175.52 176.23 3grr h GLU 46 N 0.59 1.04 -0.37 6.66 4.81 -1.21 0.15 114.58 126.24 3grr h GLU 46 Ca 0.36 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 3grr h GLU 46 Cb 0.39 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3grr h GLU 46 CO -0.28 0.84 -0.28 0.93 -0.73 0.00 0.00 179.01 179.48 3grr h GLU 47 N 1.00 0.80 -0.53 1.92 4.39 -1.34 -0.65 114.58 120.16 3grr h GLU 47 Ca 0.24 -0.36 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 3grr h GLU 47 Cb 0.16 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3grr h GLU 47 CO -0.03 0.98 0.14 -0.07 -1.16 0.00 0.00 179.01 178.88 3grr h LEU 48 N 0.68 0.80 -0.55 1.33 3.38 -0.94 -2.80 115.31 117.20 3grr h LEU 48 Ca 0.08 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3grr h LEU 48 Cb 0.82 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3grr h LEU 48 CO 0.07 0.81 0.28 0.00 0.09 0.00 0.00 178.44 179.69 3grr h ALA 49 N 1.01 0.71 -0.82 1.53 0.00 -0.55 0.45 119.26 121.60 3grr h ALA 49 Ca 0.17 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3grr h ALA 49 Cb 0.32 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3grr h ALA 49 CO -0.00 0.26 0.53 0.87 0.00 0.00 0.00 179.25 180.91 3grr h LYS 50 N 0.74 0.76 0.00 0.00 1.57 -1.06 -3.33 116.57 115.25 3grr h LYS 50 Ca 0.19 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 3grr h LYS 50 Cb 0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3grr h LYS 50 CO -0.03 0.50 -1.72 0.09 -0.57 0.00 0.00 179.45 177.73 3grr n ASN 51 N -4.51 1.70 -4.89 0.86 3.02 -0.82 -5.01 115.26 105.62 3grr n ASN 51 Ca 0.13 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.48 3grr n ASN 51 Cb 0.30 1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 40.91 3grr n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3grr s ALA 52 N -2.84 3.89 0.18 5.41 0.00 0.09 -3.35 121.76 125.14 3grr s ALA 52 Ca -0.06 -1.54 -0.13 0.00 0.00 0.00 0.00 51.96 50.24 3grr s ALA 52 Cb 0.08 -1.35 0.13 0.00 0.00 0.00 0.00 23.12 21.98 3grr s ALA 52 CO 0.59 0.06 1.80 -0.22 0.00 0.00 0.00 175.76 177.99 3grr h LYS 53 N 1.21 0.53 -1.85 0.00 3.64 -0.73 -3.46 116.57 115.90 3grr h LYS 53 Ca -0.46 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 3grr h LYS 53 Cb 1.25 -0.12 -0.20 0.00 -0.41 0.00 0.00 32.23 32.75 3grr h LYS 53 CO 0.58 0.35 0.31 0.21 -2.27 0.00 0.00 179.45 178.63 3grr s LYS 54 N -6.13 0.89 -0.07 1.90 2.20 -1.24 -4.86 119.74 112.43 3grr s LYS 54 Ca -0.13 0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.75 3grr s LYS 54 Cb 0.14 0.42 0.01 0.00 -1.51 0.00 0.00 37.83 36.89 3grr s LYS 54 CO 0.74 -0.27 -0.14 0.54 -0.36 0.00 0.00 175.35 175.85 3grr s VAL 55 N -1.10 1.30 -0.15 4.02 0.11 -0.24 -1.29 120.40 123.05 3grr s VAL 55 Ca -0.07 -0.57 -0.10 0.00 -2.93 0.00 0.00 61.98 58.30 3grr s VAL 55 Cb -0.00 -1.18 -0.05 0.00 -1.53 0.00 0.00 36.38 33.62 3grr s VAL 55 CO 0.07 0.39 0.17 -0.31 -3.33 0.00 0.00 175.10 172.10 3grr s TYR 56 N 0.65 3.50 -0.19 1.54 2.02 -0.12 -0.95 117.35 123.80 3grr s TYR 56 Ca -0.14 0.48 0.00 0.00 -0.37 0.00 0.00 57.07 57.04 3grr s TYR 56 Cb -0.16 -2.12 0.02 0.00 -0.40 0.00 0.00 41.96 39.30 3grr s TYR 56 CO 0.04 0.46 -0.17 0.08 -1.57 0.00 0.00 175.55 174.39 3grr s VAL 57 N -0.19 2.28 -0.30 0.71 1.01 -0.01 0.33 120.40 124.24 3grr s VAL 57 Ca 0.13 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 3grr s VAL 57 Cb -0.12 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 3grr s VAL 57 CO 0.02 0.46 0.49 -0.63 0.00 0.00 0.00 175.10 175.44 3grr s ILE 58 N 1.30 5.06 -0.05 2.22 1.01 -0.39 0.17 121.20 130.53 3grr s ILE 58 Ca 0.04 0.62 0.01 0.00 0.00 0.00 0.00 60.65 61.31 3grr s ILE 58 Cb -0.14 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.49 3grr s ILE 58 CO -0.11 -0.02 -0.05 -0.70 0.00 0.00 0.00 174.94 174.06 3grr s GLU 59 N 2.31 0.86 0.29 2.79 2.56 -0.51 0.63 118.70 127.64 3grr s GLU 59 Ca 0.19 -0.11 0.20 0.00 0.00 0.00 0.00 54.97 55.26 3grr s GLU 59 Cb -0.16 -0.88 0.12 0.00 2.00 0.00 0.00 34.13 35.21 3grr s GLU 59 CO 0.11 -0.10 1.32 0.97 -0.56 0.00 0.00 175.26 177.00 3grr h ILE 60 N 6.15 0.27 -3.27 -3.70 2.10 -1.75 0.77 117.51 118.06 3grr h ILE 60 Ca -0.36 -1.42 -0.73 0.00 1.08 0.00 0.00 64.86 63.43 3grr h ILE 60 Cb 1.15 1.97 -0.27 0.00 -1.09 0.00 0.00 36.82 38.59 3grr h ILE 60 CO 0.45 0.15 -0.35 -0.62 -1.08 0.00 0.00 178.15 176.70 3grr s ASP 61 N -5.99 5.89 0.48 2.19 -1.08 -1.26 -4.67 116.67 112.23 3grr s ASP 61 Ca 0.03 -1.70 0.33 0.00 -0.52 0.00 0.00 52.55 50.69 3grr s ASP 61 Cb 0.07 -2.09 1.55 0.00 -1.46 0.00 0.00 42.92 41.00 3grr s ASP 61 CO 0.74 -0.70 1.98 0.11 0.52 0.00 0.00 175.17 177.82 3grr h LYS 62 N 8.61 0.00 0.00 4.34 1.57 -2.01 -2.48 116.57 126.60 3grr h LYS 62 Ca -0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3grr h LYS 62 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 3grr h LYS 62 CO 0.89 0.00 -0.01 0.77 -0.57 0.00 0.00 179.45 180.53 3grr h SER 63 N 0.00 0.00 -0.04 0.86 0.02 -2.01 -1.73 113.55 110.66 3grr h SER 63 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3grr h SER 63 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3grr h SER 63 CO 0.00 0.01 0.00 0.18 -1.14 0.00 0.00 176.83 175.88 3grr n LEU 64 N -3.38 0.37 -0.23 5.07 4.77 -0.93 -4.26 117.00 118.40 3grr n LEU 64 Ca -0.03 -0.16 0.02 0.00 -0.03 0.00 0.00 56.01 55.82 3grr n LEU 64 Cb 0.10 -0.02 0.12 0.00 -2.33 0.00 0.00 43.42 41.28 3grr n LEU 64 CO 0.24 0.08 0.80 -0.08 -1.33 0.00 0.00 177.39 177.10 3grr h GLU 65 N 0.49 0.08 -0.99 3.23 4.81 -1.53 -1.59 114.58 119.08 3grr h GLU 65 Ca 0.00 -0.00 0.30 0.00 -0.13 0.00 0.00 59.36 59.53 3grr h GLU 65 Cb 0.11 -0.02 -0.14 0.00 0.63 0.00 0.00 28.75 29.33 3grr h GLU 65 CO 0.00 0.05 0.54 -1.35 -0.73 0.00 0.00 179.01 177.52 3grr h PRO 66 N 0.08 0.35 -0.37 0.92 0.11 -1.86 0.43 132.00 131.65 3grr h PRO 66 Ca 0.36 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.38 3grr h PRO 66 Cb 0.60 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3grr h PRO 66 CO -0.63 0.23 -0.05 1.88 -0.21 0.00 0.00 178.00 179.22 3grr h TYR 67 N 0.36 0.77 0.36 0.65 0.05 -1.63 -2.43 116.97 115.10 3grr h TYR 67 Ca 0.70 -0.15 -0.02 0.00 0.05 0.00 0.00 58.73 59.31 3grr h TYR 67 Cb 1.54 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 39.09 3grr h TYR 67 CO -0.03 0.82 -0.17 0.00 -1.05 0.00 0.00 178.16 177.72 3grr h ALA 68 N 0.85 -0.49 -0.57 3.88 0.00 -0.66 -1.93 119.26 120.34 3grr h ALA 68 Ca 0.10 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.99 3grr h ALA 68 Cb 0.54 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 3grr h ALA 68 CO 0.03 -0.76 0.15 -0.91 0.00 0.00 0.00 179.25 177.76 3grr h ASN 69 N -0.52 0.07 -0.01 0.00 2.35 -0.33 -1.52 115.58 115.62 3grr h ASN 69 Ca -0.05 0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 3grr h ASN 69 Cb 0.39 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3grr h ASN 69 CO 0.08 0.06 -0.12 0.11 -1.65 0.00 0.00 177.43 175.91 3grr h LYS 70 N 0.30 0.27 -0.26 0.81 6.56 -1.38 -3.01 116.57 119.87 3grr h LYS 70 Ca 0.29 -0.06 -0.15 0.00 -1.06 0.00 0.00 60.65 59.67 3grr h LYS 70 Cb 0.39 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.02 3grr h LYS 70 CO -0.34 0.40 -0.43 -0.07 -2.06 0.00 0.00 179.45 176.95 3grr h LEU 71 N 0.26 0.83 -0.96 2.94 3.38 -0.48 -3.08 115.31 118.20 3grr h LEU 71 Ca 0.05 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3grr h LEU 71 Cb 0.37 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3grr h LEU 71 CO 0.02 1.19 0.00 0.11 0.09 0.00 0.00 178.44 179.85 3grr h LYS 72 N 0.49 0.00 0.00 1.13 1.57 -1.26 0.48 116.57 118.98 3grr h LYS 72 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3grr h LYS 72 Cb 1.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 3grr h LYS 72 CO 0.10 0.00 -0.05 0.93 -0.57 0.00 0.00 179.45 179.86 3grr h GLU 73 N 0.00 0.00 0.00 3.15 3.07 -1.44 -3.35 114.58 116.02 3grr h GLU 73 Ca 0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.62 3grr h GLU 73 Cb 0.30 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.16 3grr h GLU 73 CO 0.00 0.05 -1.91 1.28 -1.40 0.00 0.00 179.01 177.03 3grr n LEU 74 N -3.12 0.69 -4.12 1.33 4.77 -0.65 -4.98 117.00 110.92 3grr n LEU 74 Ca 0.03 -0.02 -0.28 0.00 -0.03 0.00 0.00 56.01 55.71 3grr n LEU 74 Cb 0.50 0.11 -0.17 0.00 -2.33 0.00 0.00 43.42 41.54 3grr n LEU 74 CO 0.33 0.43 -0.51 -0.31 -1.33 0.00 0.00 177.39 176.00 3grr s TYR 75 N -2.32 1.91 -2.53 -1.77 2.02 0.07 -5.02 117.35 109.70 3grr s TYR 75 Ca -0.10 -0.71 0.27 0.00 -0.37 0.00 0.00 57.07 56.16 3grr s TYR 75 Cb 0.04 -1.32 0.82 0.00 -0.40 0.00 0.00 41.96 41.10 3grr s TYR 75 CO 0.50 -0.30 1.61 0.27 -1.57 0.00 0.00 175.55 176.06 3grr n ASN 76 N 3.57 1.79 -1.20 2.29 0.23 -1.26 -4.20 115.26 116.48 3grr n ASN 76 Ca -0.21 -1.56 -0.04 0.00 -0.53 0.00 0.00 54.58 52.25 3grr n ASN 76 Cb 0.52 0.02 0.20 0.00 -2.08 0.00 0.00 39.78 38.45 3grr n ASN 76 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3grr n ASN 77 N 0.35 2.70 -4.37 0.53 6.94 -1.26 -4.96 115.26 115.19 3grr n ASN 77 Ca 0.17 -3.69 -0.33 0.00 -0.02 0.00 0.00 54.58 50.71 3grr n ASN 77 Cb 0.41 -0.64 -0.14 0.00 -2.36 0.00 0.00 39.78 37.05 3grr n ASN 77 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3grr s ILE 78 N -3.21 3.19 -0.13 1.53 1.01 -1.26 -1.08 121.20 121.26 3grr s ILE 78 Ca 0.45 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.53 3grr s ILE 78 Cb 0.40 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 40.51 3grr s ILE 78 CO 0.01 0.51 -0.22 -0.70 0.00 0.00 0.00 174.94 174.53 3grr s GLU 79 N 0.54 3.01 -0.12 2.79 2.12 -0.12 -4.98 118.70 121.93 3grr s GLU 79 Ca -0.07 -0.86 -0.11 0.00 0.36 0.00 0.00 54.97 54.29 3grr s GLU 79 Cb -0.15 -2.37 -0.05 0.00 0.26 0.00 0.00 34.13 31.81 3grr s GLU 79 CO 0.03 0.05 0.23 0.42 -0.54 0.00 0.00 175.26 175.46 3grr s ILE 80 N 0.66 5.34 -0.30 -3.70 -1.09 -1.26 -0.83 121.20 120.03 3grr s ILE 80 Ca -0.11 0.42 -0.02 0.00 -2.23 0.00 0.00 60.65 58.71 3grr s ILE 80 Cb -0.16 -3.54 0.05 0.00 -1.58 0.00 0.00 42.46 37.22 3grr s ILE 80 CO 0.02 0.51 -0.00 -0.63 -1.23 0.00 0.00 174.94 173.61 3grr s ILE 81 N -0.34 3.03 -0.32 2.92 1.01 0.13 -4.93 121.20 122.71 3grr s ILE 81 Ca 0.16 -1.32 -0.27 0.00 0.00 0.00 0.00 60.65 59.22 3grr s ILE 81 Cb -0.13 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.64 3grr s ILE 81 CO 0.05 -0.07 0.99 0.26 0.00 0.00 0.00 174.94 176.16 3grr s TRP 82 N 1.27 3.17 -4.09 3.97 0.52 -1.26 -1.42 118.94 121.09 3grr s TRP 82 Ca -0.04 1.07 0.00 0.00 0.02 0.00 0.00 56.10 57.15 3grr s TRP 82 Cb -0.19 -3.55 0.00 0.00 -1.15 0.00 0.00 33.47 28.58 3grr s TRP 82 CO -0.01 -0.71 0.00 0.41 0.02 0.00 0.00 176.95 176.66 3grr n GLY 83 N 3.98 -2.02 3.61 0.98 0.00 0.26 -4.93 105.19 107.06 3grr n GLY 83 Ca 0.09 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 3grr n GLY 83 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3grr s ASP 84 N -1.90 6.33 0.62 1.61 -1.08 -1.26 -2.30 116.67 118.69 3grr s ASP 84 Ca 0.00 0.39 0.38 0.00 -0.52 0.00 0.00 52.55 52.80 3grr s ASP 84 Cb 0.00 -2.24 2.06 0.00 -1.46 0.00 0.00 42.92 41.28 3grr s ASP 84 CO 0.00 -0.22 2.27 0.00 0.52 0.00 0.00 175.17 177.74 3grr h ALA 85 N 8.09 1.16 0.00 3.66 0.00 -1.95 0.98 119.26 131.20 3grr h ALA 85 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3grr h ALA 85 Cb 1.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3grr h ALA 85 CO 0.67 0.02 0.00 -0.07 0.00 0.00 0.00 179.25 179.87 3grr h LEU 86 N 0.00 0.00 0.00 0.00 3.38 -1.99 -3.30 115.31 113.40 3grr h LEU 86 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 3grr h LEU 86 Cb 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3grr h LEU 86 CO 0.00 0.00 -2.02 0.29 0.09 0.00 0.00 178.44 176.81 3grr n LYS 87 N -2.30 1.27 -2.04 1.13 5.02 0.28 -5.01 118.16 116.52 3grr n LYS 87 Ca 0.04 -0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 3grr n LYS 87 Cb 0.37 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 3grr n LYS 87 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3grr s VAL 88 N -2.53 2.77 -0.87 -0.18 1.01 -0.83 -4.92 120.40 114.86 3grr s VAL 88 Ca -0.07 0.63 -0.25 0.00 0.00 0.00 0.00 61.98 62.28 3grr s VAL 88 Cb 0.06 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 33.06 3grr s VAL 88 CO 0.65 0.09 1.46 -0.62 0.00 0.00 0.00 175.10 176.68 3grr s ASP 89 N 0.52 6.14 0.59 3.32 -1.08 -1.26 -4.84 116.67 120.06 3grr s ASP 89 Ca 0.61 -0.84 0.34 0.00 -0.52 0.00 0.00 52.55 52.13 3grr s ASP 89 Cb -0.41 -2.56 1.89 0.00 -1.46 0.00 0.00 42.92 40.38 3grr s ASP 89 CO 0.40 -1.82 2.23 -0.07 0.52 0.00 0.00 175.17 176.43 3grr h LEU 90 N 13.65 0.00 -2.29 -1.34 3.38 -1.93 -2.33 115.31 124.44 3grr h LEU 90 Ca -0.04 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.95 3grr h LEU 90 Cb 1.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3grr h LEU 90 CO 1.33 0.03 0.06 0.78 0.09 0.00 0.00 178.44 180.73 3grr h ASN 91 N 0.00 0.00 0.11 -0.43 2.35 -1.97 -1.57 115.58 114.07 3grr h ASN 91 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3grr h ASN 91 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3grr h ASN 91 CO 0.00 0.00 -0.03 0.29 -1.65 0.00 0.00 177.43 176.04 3grr n LYS 92 N -4.02 1.12 -4.53 0.81 4.76 -0.88 -4.83 118.16 110.59 3grr n LYS 92 Ca -0.02 -0.38 -0.33 0.00 -2.87 0.00 0.00 58.31 54.71 3grr n LYS 92 Cb 0.15 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 31.74 3grr n LYS 92 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3grr s LEU 93 N -2.15 3.22 -0.31 -0.35 1.43 -0.59 -5.09 118.68 114.84 3grr s LEU 93 Ca 0.39 -0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.38 3grr s LEU 93 Cb 0.21 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.70 3grr s LEU 93 CO 0.39 0.33 0.06 -1.81 0.23 0.00 0.00 176.35 175.55 3grr s ASP 94 N -1.08 5.08 0.10 2.29 1.01 -1.26 -5.03 116.67 117.79 3grr s ASP 94 Ca 0.15 -1.02 -0.16 0.00 0.71 0.00 0.00 52.55 52.23 3grr s ASP 94 Cb -0.11 -1.82 0.03 0.00 1.01 0.00 0.00 42.92 42.03 3grr s ASP 94 CO 0.04 -0.26 0.38 0.72 0.21 0.00 0.00 175.17 176.26 3grr s PHE 95 N 1.39 -0.18 -0.05 4.23 -0.12 -1.26 -4.93 117.98 117.06 3grr s PHE 95 Ca -0.01 -0.09 0.01 0.00 -0.05 0.00 0.00 56.93 56.79 3grr s PHE 95 Cb -0.19 0.21 -0.01 0.00 -0.63 0.00 0.00 43.02 42.41 3grr s PHE 95 CO 0.01 -0.65 0.09 0.27 -0.05 0.00 0.00 175.22 174.89 3grr n ASN 96 N -0.03 0.16 -3.96 1.98 6.94 -0.23 -4.92 115.26 115.19 3grr n ASN 96 Ca -0.17 -0.58 -0.09 0.00 -0.02 0.00 0.00 54.58 53.72 3grr n ASN 96 Cb 0.63 0.89 -0.10 0.00 -2.36 0.00 0.00 39.78 38.84 3grr n ASN 96 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3grr s LYS 97 N -0.98 0.48 -0.09 -3.83 1.02 -0.91 0.29 119.74 115.73 3grr s LYS 97 Ca 0.00 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.31 3grr s LYS 97 Cb 0.01 0.18 0.02 0.00 -0.52 0.00 0.00 37.83 37.51 3grr s LYS 97 CO 0.04 -0.10 -0.12 0.08 -0.92 0.00 0.00 175.35 174.32 3grr s VAL 98 N -2.17 1.21 -0.06 3.17 1.01 -0.89 -0.46 120.40 122.20 3grr s VAL 98 Ca -0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3grr s VAL 98 Cb -0.04 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.24 3grr s VAL 98 CO -0.03 0.38 -0.01 -0.69 0.00 0.00 0.00 175.10 174.75 3grr s VAL 99 N 0.94 0.38 -0.17 2.92 1.01 -0.66 -0.36 120.40 124.46 3grr s VAL 99 Ca -0.09 0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.69 3grr s VAL 99 Cb -0.15 -0.51 0.08 0.00 0.00 0.00 0.00 36.38 35.80 3grr s VAL 99 CO 0.00 0.24 0.74 0.00 0.00 0.00 0.00 175.10 176.09 3grr s ALA 100 N 1.71 -1.80 -0.84 5.51 0.00 -0.83 -4.19 121.76 121.32 3grr s ALA 100 Ca 0.01 1.69 -0.18 0.00 0.00 0.00 0.00 51.96 53.48 3grr s ALA 100 Cb -0.13 -0.67 0.14 0.00 0.00 0.00 0.00 23.12 22.47 3grr s ALA 100 CO -0.04 -0.34 0.98 1.21 0.00 0.00 0.00 175.76 177.56 3grr s ASN 101 N -0.38 6.57 0.39 0.00 2.47 -1.26 -0.84 114.94 121.89 3grr s ASN 101 Ca -0.05 -2.05 -0.26 0.00 0.42 0.00 0.00 52.86 50.92 3grr s ASN 101 Cb -0.03 -2.34 -0.09 0.00 -1.45 0.00 0.00 41.25 37.34 3grr s ASN 101 CO 0.04 -0.98 1.25 -0.76 -3.72 0.00 0.00 177.10 172.93 3grr s LEU 102 N 2.18 4.25 -0.06 3.21 1.43 -1.19 -4.86 118.68 123.63 3grr s LEU 102 Ca 0.26 2.54 -0.29 0.00 -1.03 0.00 0.00 54.13 55.60 3grr s LEU 102 Cb -0.09 -3.90 -0.06 0.00 0.03 0.00 0.00 46.19 42.16 3grr s LEU 102 CO -0.06 -0.72 1.87 -2.84 0.23 0.00 0.00 176.35 174.82 3grr s PRO 103 N -2.16 3.96 0.48 1.29 0.02 -1.26 -4.88 135.00 132.44 3grr s PRO 103 Ca 0.55 2.28 0.17 0.00 0.02 0.00 0.00 61.00 64.02 3grr s PRO 103 Cb -0.35 -4.13 1.15 0.00 0.02 0.00 0.00 34.50 31.19 3grr s PRO 103 CO 0.46 -1.14 2.05 0.10 -0.33 0.00 0.00 177.00 178.13 3grr h TYR 104 N 10.95 0.00 0.00 6.54 -0.00 -1.93 -1.56 116.97 130.97 3grr h TYR 104 Ca -0.43 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.29 3grr h TYR 104 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.94 3grr h TYR 104 CO 0.93 0.13 -0.02 1.96 -0.00 0.00 0.00 178.16 181.16 3grr h GLN 105 N 0.00 0.00 -0.35 0.10 1.08 -2.02 -2.35 115.11 111.57 3grr h GLN 105 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3grr h GLN 105 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3grr h GLN 105 CO 0.02 0.02 0.00 0.44 -0.95 0.00 0.00 178.83 178.36 3grr n ILE 106 N -3.62 0.44 -0.22 2.54 -5.35 -0.59 -4.76 119.36 107.80 3grr n ILE 106 Ca -0.03 -0.69 -0.04 0.00 -0.27 0.00 0.00 62.75 61.73 3grr n ILE 106 Cb 0.11 0.94 0.02 0.00 -1.74 0.00 0.00 39.64 38.97 3grr n ILE 106 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3grr h SER 107 N 4.24 -1.08 0.51 7.28 0.02 -1.50 -1.50 113.55 121.53 3grr h SER 107 Ca 0.00 0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 3grr h SER 107 Cb 0.93 0.56 0.01 0.00 0.14 0.00 0.00 62.40 64.04 3grr h SER 107 CO 0.00 -0.29 -0.25 -1.28 -1.14 0.00 0.00 176.83 173.87 3grr h SER 108 N -0.12 -0.58 -0.85 3.07 0.87 -1.85 -2.44 113.55 111.64 3grr h SER 108 Ca 0.26 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.89 3grr h SER 108 Cb 0.55 0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.60 3grr h SER 108 CO -0.71 -0.17 0.53 -0.65 -0.53 0.00 0.00 176.83 175.30 3grr h PRO 109 N -1.18 0.97 -0.78 2.24 0.11 -1.90 -2.27 132.00 129.19 3grr h PRO 109 Ca -0.07 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 3grr h PRO 109 Cb 0.54 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 3grr h PRO 109 CO 0.12 0.64 0.29 0.97 -0.21 0.00 0.00 178.00 179.80 3grr h ILE 110 N 1.00 1.26 -0.12 4.15 6.09 -1.37 -1.08 117.51 127.44 3grr h ILE 110 Ca 0.36 -0.86 0.01 0.00 -1.37 0.00 0.00 64.86 63.00 3grr h ILE 110 Cb 0.11 0.36 -0.02 0.00 0.47 0.00 0.00 36.82 37.74 3grr h ILE 110 CO -0.15 0.35 0.02 0.74 -3.07 0.00 0.00 178.15 176.03 3grr h THR 111 N 1.14 0.95 -0.15 2.19 2.02 -0.90 0.70 112.91 118.86 3grr h THR 111 Ca 0.26 -0.02 -0.17 0.00 0.77 0.00 0.00 66.41 67.25 3grr h THR 111 Cb 0.25 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3grr h THR 111 CO -0.02 0.01 -0.61 -0.26 0.37 0.00 0.00 175.52 175.02 3grr h PHE 112 N 0.07 0.64 -0.77 3.16 0.04 -1.42 -0.73 116.94 117.93 3grr h PHE 112 Ca 0.05 -0.24 0.03 0.00 2.80 0.00 0.00 57.97 60.60 3grr h PHE 112 Cb 0.05 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 3grr h PHE 112 CO -0.12 0.98 0.49 -0.22 -0.60 0.00 0.00 178.31 178.84 3grr h LYS 113 N 0.37 0.95 -0.03 1.51 3.64 -0.98 0.25 116.57 122.28 3grr h LYS 113 Ca -0.01 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3grr h LYS 113 Cb 1.16 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3grr h LYS 113 CO 0.11 0.63 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.84 3grr h LEU 114 N 0.97 0.05 -0.85 5.20 3.38 -0.74 -2.11 115.31 121.22 3grr h LEU 114 Ca 0.30 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3grr h LEU 114 Cb -0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 3grr h LEU 114 CO -0.10 0.39 0.51 0.40 0.09 0.00 0.00 178.44 179.73 3grr h ILE 115 N -0.29 0.97 -0.26 1.22 2.04 -0.92 0.15 117.51 120.43 3grr h ILE 115 Ca 0.01 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.58 3grr h ILE 115 Cb 0.37 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3grr h ILE 115 CO 0.00 0.16 0.11 0.50 0.00 0.00 0.00 178.15 178.93 3grr h LYS 116 N 0.88 0.24 -0.74 2.37 3.64 -0.47 -2.62 116.57 119.88 3grr h LYS 116 Ca 0.39 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 3grr h LYS 116 Cb 0.27 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 3grr h LYS 116 CO -0.21 0.16 0.33 -0.09 -2.27 0.00 0.00 179.45 177.37 3grr h ARG 117 N 0.25 1.09 0.00 1.90 9.65 -0.73 -3.49 114.38 123.05 3grr h ARG 117 Ca 0.11 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3grr h ARG 117 Cb 0.05 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.44 3grr h ARG 117 CO -0.09 0.87 0.00 0.41 2.80 0.00 0.00 179.97 183.96 3grr n GLY 118 N -0.93 1.90 3.55 2.80 0.00 0.48 -5.05 105.19 107.94 3grr n GLY 118 Ca 0.06 -1.75 -0.07 0.00 0.00 0.00 0.00 46.02 44.26 3grr n GLY 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3grr s PHE 119 N -2.32 -0.27 0.08 1.61 -0.71 -1.26 -4.92 117.98 110.19 3grr s PHE 119 Ca 0.00 0.23 -0.17 0.00 -1.04 0.00 0.00 56.93 55.95 3grr s PHE 119 Cb 0.00 0.52 -0.10 0.00 -1.21 0.00 0.00 43.02 42.22 3grr s PHE 119 CO 0.00 -0.38 1.39 -0.44 -1.34 0.00 0.00 175.22 174.45 3grr h ASP 120 N 2.09 0.63 -4.05 1.98 5.19 -0.52 -3.40 116.42 118.35 3grr h ASP 120 Ca -0.17 -0.48 -0.04 0.00 -0.62 0.00 0.00 57.03 55.73 3grr h ASP 120 Cb 1.20 -0.18 -0.21 0.00 0.18 0.00 0.00 39.33 40.32 3grr h ASP 120 CO 0.28 0.98 0.15 -0.22 -3.12 0.00 0.00 179.24 177.31 3grr s LEU 121 N -9.01 -0.73 0.01 1.55 2.96 -1.22 -4.30 118.68 107.94 3grr s LEU 121 Ca -0.13 1.37 0.06 0.00 -0.22 0.00 0.00 54.13 55.21 3grr s LEU 121 Cb 0.08 2.45 -0.02 0.00 0.50 0.00 0.00 46.19 49.20 3grr s LEU 121 CO 0.81 -0.27 -0.18 0.00 -1.32 0.00 0.00 176.35 175.39 3grr s ALA 122 N 0.25 1.47 -0.22 5.97 0.00 0.10 -2.09 121.76 127.23 3grr s ALA 122 Ca -0.01 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 3grr s ALA 122 Cb -0.05 -0.33 0.06 0.00 0.00 0.00 0.00 23.12 22.80 3grr s ALA 122 CO 0.01 0.34 -0.04 0.08 0.00 0.00 0.00 175.76 176.16 3grr s VAL 123 N -0.57 1.31 -0.02 0.00 1.01 0.52 -0.51 120.40 122.14 3grr s VAL 123 Ca 0.06 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.00 3grr s VAL 123 Cb -0.07 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 3grr s VAL 123 CO 0.00 -0.12 -0.10 -0.76 0.00 0.00 0.00 175.10 174.13 3grr s LEU 124 N 1.50 1.92 -0.10 3.92 1.43 -0.26 -1.97 118.68 125.12 3grr s LEU 124 Ca -0.05 -0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 3grr s LEU 124 Cb -0.18 -0.55 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 3grr s LEU 124 CO -0.07 0.10 0.70 -0.32 0.23 0.00 0.00 176.35 177.00 3grr s MET 125 N -0.05 4.39 0.31 1.70 -2.45 -0.02 -0.93 119.30 122.26 3grr s MET 125 Ca 0.01 0.85 0.05 0.00 -1.25 0.00 0.00 55.69 55.35 3grr s MET 125 Cb -0.06 -3.48 -0.06 0.00 1.25 0.00 0.00 34.83 32.48 3grr s MET 125 CO 0.00 -0.02 0.01 0.71 1.05 0.00 0.00 175.02 176.77 3grr s TYR 126 N 1.10 2.00 0.52 4.11 2.02 -0.10 -3.14 117.35 123.86 3grr s TYR 126 Ca 0.36 -0.84 -0.22 0.00 -0.37 0.00 0.00 57.07 56.00 3grr s TYR 126 Cb -0.17 -1.26 -0.06 0.00 -0.40 0.00 0.00 41.96 40.07 3grr s TYR 126 CO 0.16 0.14 1.34 -0.65 -1.57 0.00 0.00 175.55 174.98 3grr s GLN 127 N -3.82 3.32 0.15 -0.62 -0.21 -1.26 -0.29 119.66 116.93 3grr s GLN 127 Ca 0.34 2.19 -0.16 0.00 0.02 0.00 0.00 55.36 57.74 3grr s GLN 127 Cb 0.07 -2.35 0.00 0.00 1.00 0.00 0.00 33.01 31.74 3grr s GLN 127 CO 0.14 -1.03 1.79 -0.92 -2.12 0.00 0.00 175.29 173.15 3grr h TYR 128 N 1.69 0.50 -0.66 0.91 3.20 -1.32 -1.55 116.97 119.73 3grr h TYR 128 Ca -0.51 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.43 3grr h TYR 128 Cb 1.29 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 39.33 3grr h TYR 128 CO 0.48 0.34 0.36 0.93 -1.64 0.00 0.00 178.16 178.62 3grr h GLU 129 N 0.51 0.64 -0.22 1.82 4.39 -1.92 0.49 114.58 120.29 3grr h GLU 129 Ca 0.14 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.82 3grr h GLU 129 Cb -0.02 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 3grr h GLU 129 CO -0.03 0.42 0.11 0.35 -1.16 0.00 0.00 179.01 178.70 3grr h PHE 130 N 0.65 0.20 -0.87 4.33 3.04 -1.88 -2.01 116.94 120.41 3grr h PHE 130 Ca 0.30 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.28 3grr h PHE 130 Cb 0.22 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.62 3grr h PHE 130 CO -0.09 0.11 0.57 0.00 -2.02 0.00 0.00 178.31 176.89 3grr h ALA 131 N 1.11 1.12 -0.90 2.41 0.00 -0.77 -1.02 119.26 121.22 3grr h ALA 131 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3grr h ALA 131 Cb 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3grr h ALA 131 CO -0.06 0.47 0.49 0.87 0.00 0.00 0.00 179.25 181.02 3grr h LYS 132 N 1.15 1.25 -0.49 0.00 1.57 -0.63 -2.29 116.57 117.12 3grr h LYS 132 Ca 0.33 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3grr h LYS 132 Cb -0.09 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 31.96 3grr h LYS 132 CO -0.09 0.91 0.11 0.00 -0.57 0.00 0.00 179.45 179.81 3grr h ARG 133 N 1.25 0.79 -0.80 3.15 3.08 -1.02 -1.48 114.38 119.35 3grr h ARG 133 Ca 0.32 -0.20 0.09 0.00 0.07 0.00 0.00 59.98 60.26 3grr h ARG 133 Cb 0.02 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 29.90 3grr h ARG 133 CO -0.05 0.77 0.45 0.52 -1.07 0.00 0.00 179.97 180.59 3grr h MET 134 N 0.67 0.75 -0.09 0.04 2.86 -0.74 -2.97 114.93 115.45 3grr h MET 134 Ca 0.15 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3grr h MET 134 Cb 0.34 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3grr h MET 134 CO 0.00 0.49 0.00 1.33 1.06 0.00 0.00 176.91 179.80 3grr n VAL 135 N -4.75 0.09 -1.66 -2.22 0.24 -0.90 -4.50 118.33 104.63 3grr n VAL 135 Ca 0.13 -0.55 -0.44 0.00 -2.04 0.00 0.00 64.34 61.44 3grr n VAL 135 Cb 0.26 1.39 -0.02 0.00 -1.47 0.00 0.00 33.84 34.00 3grr n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3grr n ALA 136 N 1.34 0.76 -1.81 2.33 0.00 -0.57 -4.96 120.51 117.60 3grr n ALA 136 Ca 0.15 0.39 -0.35 0.00 0.00 0.00 0.00 53.44 53.63 3grr n ALA 136 Cb 0.58 -2.20 -0.07 0.00 0.00 0.00 0.00 19.45 17.77 3grr n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3grr s ALA 137 N -0.63 3.14 0.27 0.00 0.00 -1.26 -4.82 121.76 118.46 3grr s ALA 137 Ca 0.62 0.45 -0.28 0.00 0.00 0.00 0.00 51.96 52.76 3grr s ALA 137 Cb -0.65 -3.16 -0.15 0.00 0.00 0.00 0.00 23.12 19.17 3grr s ALA 137 CO 0.56 0.16 0.83 0.00 0.00 0.00 0.00 175.76 177.31 3grr n ALA 138 N 0.01 -1.12 -1.00 0.00 0.00 -1.26 -2.81 120.51 114.33 3grr n ALA 138 Ca 0.04 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3grr n ALA 138 Cb 0.52 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3grr n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3grr n GLY 139 N 1.49 0.55 3.77 0.00 0.00 0.51 -4.99 105.19 106.53 3grr n GLY 139 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3grr n GLY 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3grr s THR 140 N -2.21 2.97 0.45 2.61 -4.23 -1.12 -4.94 115.64 109.17 3grr s THR 140 Ca 0.00 -1.61 0.19 0.00 -1.18 0.00 0.00 61.69 59.09 3grr s THR 140 Cb 0.00 -3.01 0.23 0.00 1.34 0.00 0.00 72.50 71.05 3grr s THR 140 CO 0.00 -0.14 2.04 0.07 -0.54 0.00 0.00 174.62 176.05 3grr h LYS 141 N 1.43 0.00 -0.01 3.99 2.10 -1.95 -1.89 116.57 120.23 3grr h LYS 141 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 3grr h LYS 141 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3grr h LYS 141 CO 0.63 0.15 -0.24 -0.25 -2.00 0.00 0.00 179.45 177.74 3grr n ASP 142 N -4.12 1.58 -4.70 7.07 8.00 -1.26 -4.93 116.55 118.19 3grr n ASP 142 Ca -0.02 -1.28 -0.42 0.00 0.71 0.00 0.00 54.79 53.77 3grr n ASP 142 Cb 0.23 0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 3grr n ASP 142 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3grr s TYR 143 N -2.35 3.03 0.00 1.24 5.04 -0.71 -4.54 117.35 119.06 3grr s TYR 143 Ca 0.26 0.91 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 3grr s TYR 143 Cb 0.19 -3.64 0.00 0.00 0.35 0.00 0.00 41.96 38.86 3grr s TYR 143 CO 0.48 -2.30 0.00 0.41 -1.34 0.00 0.00 175.55 172.80 3grr n GLY 144 N 3.55 1.86 0.27 8.97 0.00 -1.26 -4.90 105.19 113.67 3grr n GLY 144 Ca 0.12 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.23 3grr n GLY 144 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3grr h ARG 145 N 0.00 0.42 -0.39 1.61 2.43 -1.92 -1.71 114.38 114.82 3grr h ARG 145 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3grr h ARG 145 Cb 0.00 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3grr h ARG 145 CO 0.00 0.28 0.17 1.25 -1.51 0.00 0.00 179.97 180.16 3grr h LEU 146 N 0.43 0.52 -0.36 3.80 5.85 -1.95 0.15 115.31 123.75 3grr h LEU 146 Ca 0.39 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 59.04 3grr h LEU 146 Cb 0.56 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 3grr h LEU 146 CO -0.38 0.52 -0.13 0.28 -0.34 0.00 0.00 178.44 178.39 3grr h SER 147 N 0.48 -0.44 -0.30 1.25 0.02 -1.39 -1.11 113.55 112.06 3grr h SER 147 Ca 0.13 0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 61.06 3grr h SER 147 Cb 0.15 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 3grr h SER 147 CO -0.01 -0.16 -0.38 0.58 -1.14 0.00 0.00 176.83 175.72 3grr h VAL 148 N -0.05 1.29 -0.59 2.27 2.07 -0.95 0.65 116.25 120.94 3grr h VAL 148 Ca 0.18 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 3grr h VAL 148 Cb 0.32 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3grr h VAL 148 CO -0.40 0.50 0.33 0.00 0.02 0.00 0.00 177.57 178.02 3grr h ALA 149 N 0.70 1.46 0.00 1.67 0.00 -0.45 -1.19 119.26 121.45 3grr h ALA 149 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3grr h ALA 149 Cb 0.96 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3grr h ALA 149 CO 0.09 0.45 -0.04 0.28 0.00 0.00 0.00 179.25 180.03 3grr h VAL 150 N 0.82 1.40 0.00 0.00 2.07 -1.15 -3.38 116.25 116.02 3grr h VAL 150 Ca 0.21 -2.07 -0.05 0.00 0.82 0.00 0.00 66.70 65.62 3grr h VAL 150 Cb 0.02 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 3grr h VAL 150 CO -0.04 0.48 -0.22 1.56 0.02 0.00 0.00 177.57 179.37 3grr h GLN 151 N -1.00 0.00 0.00 1.57 4.20 -0.81 -1.42 115.11 117.65 3grr h GLN 151 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3grr h GLN 151 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 3grr h GLN 151 CO -0.01 0.22 0.00 -1.13 -0.67 0.00 0.00 178.83 177.25 3grr n SER 152 N -3.75 0.69 -0.00 1.46 3.41 -0.46 -3.43 113.62 111.54 3grr n SER 152 Ca -0.01 0.69 0.01 0.00 -0.26 0.00 0.00 58.87 59.29 3grr n SER 152 Cb 0.33 -0.83 -0.01 0.00 -0.26 0.00 0.00 64.21 63.44 3grr n SER 152 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3grr n ARG 153 N -2.28 5.50 -3.53 4.33 1.74 -0.63 -4.71 116.66 117.08 3grr n ARG 153 Ca 0.02 -0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 3grr n ARG 153 Cb 0.21 -0.64 -0.04 0.00 -1.02 0.00 0.00 32.46 30.96 3grr n ARG 153 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3grr s ALA 154 N -1.28 -1.83 -0.12 7.54 0.00 -0.63 -1.11 121.76 124.33 3grr s ALA 154 Ca 0.00 1.29 -0.25 0.00 0.00 0.00 0.00 51.96 53.01 3grr s ALA 154 Cb 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 3grr s ALA 154 CO 0.06 -0.45 0.78 -0.51 0.00 0.00 0.00 175.76 175.64 3grr s ASP 155 N -1.56 6.99 0.02 0.00 1.01 -0.01 -4.17 116.67 118.95 3grr s ASP 155 Ca -0.03 1.20 0.05 0.00 0.71 0.00 0.00 52.55 54.48 3grr s ASP 155 Cb -0.00 -2.44 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 3grr s ASP 155 CO 0.01 -0.27 -0.16 0.68 0.21 0.00 0.00 175.17 175.63 3grr s VAL 156 N 1.52 1.29 -0.05 -1.27 -7.23 -1.26 -1.04 120.40 112.37 3grr s VAL 156 Ca 0.39 -0.89 -0.21 0.00 -1.81 0.00 0.00 61.98 59.46 3grr s VAL 156 Cb -0.17 -1.12 0.04 0.00 0.56 0.00 0.00 36.38 35.69 3grr s VAL 156 CO 0.16 0.21 0.46 -1.83 -0.31 0.00 0.00 175.10 173.79 3grr s GLU 157 N -0.79 0.78 -0.19 4.82 -1.05 -0.83 -4.90 118.70 116.53 3grr s GLU 157 Ca 0.05 0.10 -0.27 0.00 -0.15 0.00 0.00 54.97 54.70 3grr s GLU 157 Cb -0.07 0.36 -0.00 0.00 -0.44 0.00 0.00 34.13 33.98 3grr s GLU 157 CO 0.01 -0.21 0.93 0.42 0.95 0.00 0.00 175.26 177.35 3grr s ILE 158 N -1.03 4.79 0.03 1.83 1.01 -1.26 -0.71 121.20 125.86 3grr s ILE 158 Ca -0.11 1.83 -0.03 0.00 0.00 0.00 0.00 60.65 62.34 3grr s ILE 158 Cb -0.03 -4.22 -0.28 0.00 0.01 0.00 0.00 42.46 37.93 3grr s ILE 158 CO 0.06 -0.06 0.97 0.58 0.00 0.00 0.00 174.94 176.48 3grr h VAL 159 N 5.30 1.29 -1.64 2.92 2.07 -0.56 -3.48 116.25 122.14 3grr h VAL 159 Ca -0.25 -2.90 0.05 0.00 0.82 0.00 0.00 66.70 64.42 3grr h VAL 159 Cb 1.10 2.83 -0.23 0.00 -1.52 0.00 0.00 31.29 33.48 3grr h VAL 159 CO 0.89 0.84 0.46 0.00 0.02 0.00 0.00 177.57 179.79 3grr s ALA 160 N -2.63 -1.92 0.04 1.67 0.00 -1.21 -4.99 121.76 112.72 3grr s ALA 160 Ca -0.07 1.64 -0.19 0.00 0.00 0.00 0.00 51.96 53.34 3grr s ALA 160 Cb 0.07 -0.82 -0.06 0.00 0.00 0.00 0.00 23.12 22.31 3grr s ALA 160 CO 0.87 -0.30 0.55 0.21 0.00 0.00 0.00 175.76 177.09 3grr s LYS 161 N -0.73 4.20 -0.22 0.00 2.20 -1.26 -1.17 119.74 122.76 3grr s LYS 161 Ca -0.02 0.68 0.02 0.00 -0.36 0.00 0.00 55.97 56.29 3grr s LYS 161 Cb -0.02 -3.27 0.04 0.00 -1.51 0.00 0.00 37.83 33.07 3grr s LYS 161 CO 0.01 0.56 -0.15 0.08 -0.36 0.00 0.00 175.35 175.48 3grr s VAL 162 N -0.81 2.10 0.68 4.02 1.01 0.17 -4.96 120.40 122.62 3grr s VAL 162 Ca 0.29 -1.29 -0.13 0.00 0.00 0.00 0.00 61.98 60.85 3grr s VAL 162 Cb -0.19 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.14 3grr s VAL 162 CO 0.17 0.24 1.08 -2.16 0.00 0.00 0.00 175.10 174.43 3grr s PRO 163 N 1.20 2.85 0.33 2.72 0.04 -1.26 -1.20 135.00 139.68 3grr s PRO 163 Ca -0.02 1.16 0.09 0.00 0.04 0.00 0.00 61.00 62.28 3grr s PRO 163 Cb -0.17 -1.97 0.85 0.00 0.04 0.00 0.00 34.50 33.25 3grr s PRO 163 CO -0.09 -1.18 1.78 -1.35 0.04 0.00 0.00 177.00 176.20 3grr h PRO 164 N -0.34 0.63 0.00 0.56 0.11 -1.87 -1.83 132.00 129.27 3grr h PRO 164 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3grr h PRO 164 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3grr h PRO 164 CO 0.55 0.42 0.14 0.66 -0.21 0.00 0.00 178.00 179.56 3grr h SER 165 N 0.65 0.00 0.58 -2.05 4.64 -1.92 0.07 113.55 115.52 3grr h SER 165 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 3grr h SER 165 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3grr h SER 165 CO -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.61 3grr n ALA 166 N -1.75 2.18 -2.44 5.18 0.00 -0.69 -4.85 120.51 118.14 3grr n ALA 166 Ca -0.01 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 3grr n ALA 166 Cb 0.17 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.12 3grr n ALA 166 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3grr s PHE 167 N -2.72 1.90 -0.04 0.00 0.40 0.01 -0.69 117.98 116.84 3grr s PHE 167 Ca 0.19 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 56.05 3grr s PHE 167 Cb 0.16 -0.93 0.03 0.00 0.51 0.00 0.00 43.02 42.80 3grr s PHE 167 CO 0.39 0.39 0.08 -0.47 0.70 0.00 0.00 175.22 176.31 3grr s TYR 168 N -2.16 -0.05 0.98 0.36 5.04 0.72 -3.88 117.35 118.37 3grr s TYR 168 Ca 0.18 0.30 -0.12 0.00 -2.44 0.00 0.00 57.07 54.99 3grr s TYR 168 Cb -0.05 -0.21 0.18 0.00 0.35 0.00 0.00 41.96 42.22 3grr s TYR 168 CO 0.08 -0.14 1.08 -2.14 -1.34 0.00 0.00 175.55 173.09 3grr s PRO 169 N 1.32 0.54 0.10 4.97 0.02 -1.26 -1.44 135.00 139.24 3grr s PRO 169 Ca -0.07 0.89 -0.30 0.00 0.02 0.00 0.00 61.00 61.54 3grr s PRO 169 Cb -0.12 -1.72 -0.06 0.00 0.02 0.00 0.00 34.50 32.62 3grr s PRO 169 CO -0.04 -2.76 1.00 0.15 -0.33 0.00 0.00 177.00 175.03 3grr s LYS 170 N -4.77 4.64 0.94 5.54 1.02 -1.25 -4.47 119.74 121.38 3grr s LYS 170 Ca 0.65 1.51 -0.12 0.00 0.02 0.00 0.00 55.97 58.03 3grr s LYS 170 Cb -0.21 -3.37 0.15 0.00 -0.52 0.00 0.00 37.83 33.89 3grr s LYS 170 CO 0.59 0.12 1.12 -2.14 -0.92 0.00 0.00 175.35 174.11 3grr s PRO 171 N 0.18 0.91 0.19 -1.68 0.02 -1.26 -4.99 135.00 128.37 3grr s PRO 171 Ca 0.49 0.41 0.20 0.00 0.02 0.00 0.00 61.00 62.11 3grr s PRO 171 Cb -0.24 -1.80 -0.00 0.00 0.02 0.00 0.00 34.50 32.47 3grr s PRO 171 CO 0.30 -2.38 1.08 1.57 -0.33 0.00 0.00 177.00 177.24 3grr h LYS 172 N -1.63 0.00 -5.51 5.54 -0.00 -1.98 -3.45 116.57 109.54 3grr h LYS 172 Ca -0.52 0.00 -0.56 0.00 -0.00 0.00 0.00 60.65 59.58 3grr h LYS 172 Cb 1.33 0.00 -0.13 0.00 -0.00 0.00 0.00 32.23 33.42 3grr h LYS 172 CO 0.60 0.16 -0.62 0.14 -0.00 0.00 0.00 179.45 179.73 3grr s VAL 173 N -3.14 1.69 0.64 0.07 -7.23 -1.26 -5.03 120.40 106.13 3grr s VAL 173 Ca 0.00 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 57.98 3grr s VAL 173 Cb 0.08 -2.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 3grr s VAL 173 CO 0.78 -0.06 1.11 -0.31 -0.31 0.00 0.00 175.10 176.31 3grr s TYR 174 N -2.95 2.63 0.54 2.82 1.51 -1.26 -4.47 117.35 116.17 3grr s TYR 174 Ca 0.35 1.55 0.06 0.00 -1.01 0.00 0.00 57.07 58.01 3grr s TYR 174 Cb 0.08 -3.19 0.04 0.00 -0.11 0.00 0.00 41.96 38.77 3grr s TYR 174 CO 0.16 -1.67 0.41 -1.12 -1.11 0.00 0.00 175.55 172.22 3grr s SER 175 N -2.42 4.66 -0.08 2.29 0.01 -0.34 -1.08 113.70 116.74 3grr s SER 175 Ca 0.68 -1.20 -0.08 0.00 1.31 0.00 0.00 55.95 56.66 3grr s SER 175 Cb -0.21 0.34 0.02 0.00 0.21 0.00 0.00 66.02 66.38 3grr s SER 175 CO 0.39 -1.08 0.22 0.00 0.41 0.00 0.00 173.24 173.18 3grr s ALA 176 N -2.75 -0.54 -0.15 1.44 0.00 0.61 -0.66 121.76 119.72 3grr s ALA 176 Ca 0.36 0.58 -0.21 0.00 0.00 0.00 0.00 51.96 52.68 3grr s ALA 176 Cb -0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 3grr s ALA 176 CO 0.22 -0.11 0.64 0.42 0.00 0.00 0.00 175.76 176.93 3grr s ILE 177 N 0.00 5.05 -0.10 0.00 1.01 -0.32 -0.92 121.20 125.92 3grr s ILE 177 Ca -0.01 1.25 0.04 0.00 0.00 0.00 0.00 60.65 61.92 3grr s ILE 177 Cb -0.02 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.49 3grr s ILE 177 CO 0.00 0.18 -0.23 -0.69 0.00 0.00 0.00 174.94 174.21 3grr s VAL 178 N 1.41 1.98 -0.16 2.92 1.01 -0.10 0.25 120.40 127.71 3grr s VAL 178 Ca 0.31 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 3grr s VAL 178 Cb -0.16 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 3grr s VAL 178 CO 0.13 0.54 0.32 -0.75 0.00 0.00 0.00 175.10 175.33 3grr s LYS 179 N 0.41 4.27 -0.17 2.72 2.20 0.11 -1.10 119.74 128.18 3grr s LYS 179 Ca -0.18 0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.58 3grr s LYS 179 Cb -0.18 -3.43 0.03 0.00 -1.51 0.00 0.00 37.83 32.74 3grr s LYS 179 CO 0.08 0.22 -0.15 0.42 -0.36 0.00 0.00 175.35 175.56 3grr s ILE 180 N 0.52 1.70 -0.30 5.43 1.01 0.33 -1.97 121.20 127.91 3grr s ILE 180 Ca 0.18 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 60.07 3grr s ILE 180 Cb -0.13 -1.61 0.08 0.00 0.01 0.00 0.00 42.46 40.80 3grr s ILE 180 CO 0.05 0.41 -0.02 -0.75 0.00 0.00 0.00 174.94 174.63 3grr s LYS 181 N 1.42 1.93 0.54 2.79 2.20 -0.20 -0.72 119.74 127.70 3grr s LYS 181 Ca 0.04 -1.58 -0.21 0.00 -0.36 0.00 0.00 55.97 53.86 3grr s LYS 181 Cb -0.14 -3.07 -0.07 0.00 -1.51 0.00 0.00 37.83 33.04 3grr s LYS 181 CO -0.11 -0.75 1.04 -2.30 -0.36 0.00 0.00 175.35 172.88 3grr n PRO 182 N 4.38 1.18 -3.25 4.03 -0.02 -1.26 -0.83 135.00 139.23 3grr n PRO 182 Ca -0.06 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.72 3grr n PRO 182 Cb 0.42 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 3grr n PRO 182 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3grr s ASN 183 N -1.03 0.41 0.12 2.55 3.84 -0.26 -4.77 114.94 115.80 3grr s ASN 183 Ca 0.71 -1.74 -0.13 0.00 0.21 0.00 0.00 52.86 51.90 3grr s ASN 183 Cb -0.46 0.81 -0.06 0.00 -0.55 0.00 0.00 41.25 41.00 3grr s ASN 183 CO 0.51 -0.20 1.47 0.07 -2.79 0.00 0.00 177.10 176.15 3grr h LYS 184 N 6.48 0.80 -0.42 0.43 5.09 -1.92 -3.34 116.57 123.69 3grr h LYS 184 Ca 0.09 -0.39 -0.13 0.00 0.09 0.00 0.00 60.65 60.30 3grr h LYS 184 Cb 1.06 -0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.38 3grr h LYS 184 CO 0.18 1.02 -0.26 0.78 -2.09 0.00 0.00 179.45 179.08 3grr h GLY 185 N 0.59 0.97 -0.46 0.07 0.00 -1.96 -3.04 103.07 99.24 3grr h GLY 185 Ca 0.07 -0.88 0.14 0.00 0.00 0.00 0.00 47.33 46.66 3grr h GLY 185 CO 0.07 0.80 -0.20 0.50 0.00 0.00 0.00 176.54 177.71 3grr h LYS 186 N 0.76 -0.01 0.00 4.80 1.79 -1.95 -3.32 116.57 118.63 3grr h LYS 186 Ca 0.09 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.46 3grr h LYS 186 Cb 0.82 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.45 3grr h LYS 186 CO 0.07 -0.01 -1.39 0.66 -1.08 0.00 0.00 179.45 177.70 3grr n TYR 187 N -5.48 0.00 -2.65 -1.35 4.02 -1.25 -5.10 117.16 105.35 3grr n TYR 187 Ca 0.09 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.94 3grr n TYR 187 Cb 0.37 -0.27 0.01 0.00 -0.02 0.00 0.00 39.34 39.42 3grr n TYR 187 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 3grr n HIS 188 N -2.47 -3.28 -2.41 -0.72 1.44 -1.15 -4.84 115.22 101.80 3grr n HIS 188 Ca -0.11 1.38 -0.43 0.00 -2.01 0.00 0.00 57.72 56.56 3grr n HIS 188 Cb 0.66 -3.78 -0.02 0.00 0.12 0.00 0.00 29.99 26.97 3grr n HIS 188 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3grr s ILE 189 N -2.03 4.20 0.03 0.61 1.01 -1.26 -4.96 121.20 118.80 3grr s ILE 189 Ca 0.13 1.49 -0.26 0.00 0.00 0.00 0.00 60.65 62.02 3grr s ILE 189 Cb -0.04 -3.96 -0.17 0.00 0.01 0.00 0.00 42.46 38.30 3grr s ILE 189 CO 0.69 -0.07 1.39 -0.08 0.00 0.00 0.00 174.94 176.87 3grr h GLU 190 N 7.92 -0.32 -3.41 2.79 4.57 -1.92 -3.42 114.58 120.78 3grr h GLU 190 Ca -0.31 0.02 -0.45 0.00 -1.18 0.00 0.00 59.36 57.44 3grr h GLU 190 Cb 1.14 0.07 -0.40 0.00 -0.16 0.00 0.00 28.75 29.40 3grr h GLU 190 CO 0.93 -0.04 -0.76 1.21 -1.18 0.00 0.00 179.01 179.17 3grr s ASN 191 N -5.11 2.03 0.10 1.04 3.84 -1.26 -5.06 114.94 110.53 3grr s ASN 191 Ca -0.15 -0.38 -0.25 0.00 0.21 0.00 0.00 52.86 52.30 3grr s ASN 191 Cb 0.03 -0.37 -0.10 0.00 -0.55 0.00 0.00 41.25 40.26 3grr s ASN 191 CO 0.60 -0.27 1.68 -0.33 -2.79 0.00 0.00 177.10 175.99 3grr h GLU 192 N 8.35 -0.26 -0.29 0.43 4.39 -1.99 -1.40 114.58 123.80 3grr h GLU 192 Ca -0.16 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.62 3grr h GLU 192 Cb 1.13 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.78 3grr h GLU 192 CO 0.26 -0.17 -0.10 -0.91 -1.16 0.00 0.00 179.01 176.93 3grr h ASN 193 N -0.27 -0.36 -0.52 1.42 4.21 -1.99 -0.84 115.58 117.24 3grr h ASN 193 Ca 0.02 0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.62 3grr h ASN 193 Cb 0.29 0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.68 3grr h ASN 193 CO -0.08 -0.13 0.27 0.15 -1.29 0.00 0.00 177.43 176.35 3grr h PHE 194 N -0.04 0.72 -0.37 1.19 3.04 -1.97 -1.70 116.94 117.81 3grr h PHE 194 Ca 0.15 -0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.10 3grr h PHE 194 Cb 0.27 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.51 3grr h PHE 194 CO -0.31 0.55 0.17 0.35 -2.02 0.00 0.00 178.31 177.05 3grr h PHE 195 N 0.69 0.31 -0.88 0.41 3.57 -0.99 0.32 116.94 120.36 3grr h PHE 195 Ca 0.18 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3grr h PHE 195 Cb 0.08 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 3grr h PHE 195 CO -0.01 0.15 0.56 -0.44 -2.23 0.00 0.00 178.31 176.34 3grr h ASP 196 N 0.35 0.92 -0.43 0.41 3.32 -0.99 0.16 116.42 120.16 3grr h ASP 196 Ca 0.16 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 3grr h ASP 196 Cb 0.09 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3grr h ASP 196 CO -0.13 0.62 -0.23 0.44 -1.72 0.00 0.00 179.24 178.22 3grr h ASP 197 N 1.08 0.95 -0.17 6.45 3.32 -0.65 -1.84 116.42 125.56 3grr h ASP 197 Ca 0.36 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3grr h ASP 197 Cb 0.05 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3grr h ASP 197 CO -0.13 1.15 0.06 0.15 -1.72 0.00 0.00 179.24 178.75 3grr h PHE 198 N 0.75 0.27 -0.58 4.55 3.57 0.10 -1.20 116.94 124.40 3grr h PHE 198 Ca 0.09 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.60 3grr h PHE 198 Cb 0.80 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 3grr h PHE 198 CO 0.06 0.35 0.34 -0.07 -2.23 0.00 0.00 178.31 176.76 3grr h LEU 199 N 0.10 0.55 -0.83 0.59 3.38 -0.69 -1.49 115.31 116.91 3grr h LEU 199 Ca 0.06 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3grr h LEU 199 Cb 0.21 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3grr h LEU 199 CO -0.00 0.38 0.51 -0.09 0.09 0.00 0.00 178.44 179.32 3grr h ARG 200 N 0.67 1.13 0.09 1.13 2.43 -1.14 -2.13 114.38 116.57 3grr h ARG 200 Ca 0.24 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3grr h ARG 200 Cb 0.06 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 3grr h ARG 200 CO -0.12 0.79 -0.04 0.00 -1.51 0.00 0.00 179.97 179.09 3grr h ALA 201 N 1.27 -0.13 -0.34 2.80 0.00 -0.96 -3.07 119.26 118.84 3grr h ALA 201 Ca 0.30 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 3grr h ALA 201 Cb -0.05 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3grr h ALA 201 CO -0.06 -0.40 -0.47 -0.84 0.00 0.00 0.00 179.25 177.48 3grr h ILE 202 N -0.46 1.27 0.00 0.00 3.07 -1.20 -2.95 117.51 117.23 3grr h ILE 202 Ca -0.01 -1.65 0.00 0.00 1.55 0.00 0.00 64.86 64.75 3grr h ILE 202 Cb 0.39 1.50 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 3grr h ILE 202 CO 0.02 0.54 0.00 0.49 -1.05 0.00 0.00 178.15 178.16 3grr n PHE 203 N -4.03 0.00 0.52 0.16 3.72 -0.81 -2.03 117.46 114.99 3grr n PHE 203 Ca -0.03 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.44 3grr n PHE 203 Cb 0.59 -0.04 0.33 0.00 -0.94 0.00 0.00 39.48 39.43 3grr n PHE 203 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3grr n GLN 204 N -1.04 0.01 -3.01 -1.08 6.02 -1.11 -3.99 117.38 113.18 3grr n GLN 204 Ca 0.23 0.24 -0.15 0.00 -0.01 0.00 0.00 57.00 57.31 3grr n GLN 204 Cb 0.13 -1.52 0.01 0.00 1.02 0.00 0.00 30.24 29.88 3grr n GLN 204 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3grr n HIS 205 N -1.53 -1.06 0.27 1.08 8.25 -0.86 -5.02 115.22 116.34 3grr n HIS 205 Ca 0.04 -3.13 0.14 0.00 -0.26 0.00 0.00 57.72 54.50 3grr n HIS 205 Cb 0.18 0.38 0.76 0.00 1.12 0.00 0.00 29.99 32.43 3grr n HIS 205 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 3grr h ARG 206 N 3.12 0.00 -0.02 -0.41 -0.00 -1.69 -1.82 114.38 113.57 3grr h ARG 206 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.00 3grr h ARG 206 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.98 3grr h ARG 206 CO 0.36 0.10 -0.05 -1.71 -0.00 0.00 0.00 179.97 178.68 3grr n ASN 207 N -3.59 1.62 -4.97 0.08 5.15 -1.26 -2.19 115.26 110.10 3grr n ASN 207 Ca -0.02 -1.47 -0.22 0.00 -0.60 0.00 0.00 54.58 52.27 3grr n ASN 207 Cb 0.23 0.03 -0.00 0.00 -0.53 0.00 0.00 39.78 39.50 3grr n ASN 207 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3grr s LYS 208 N -2.08 3.19 0.72 1.20 1.02 -0.68 -4.84 119.74 118.26 3grr s LYS 208 Ca 0.34 -0.66 -0.16 0.00 0.02 0.00 0.00 55.97 55.51 3grr s LYS 208 Cb 0.21 -2.70 0.03 0.00 -0.52 0.00 0.00 37.83 34.85 3grr s LYS 208 CO 0.36 -0.02 1.21 -1.13 -0.92 0.00 0.00 175.35 174.85 3grr n SER 209 N -1.82 1.43 -0.14 2.83 3.41 -1.26 -1.37 113.62 116.71 3grr n SER 209 Ca -0.01 0.71 -0.05 0.00 -0.26 0.00 0.00 58.87 59.26 3grr n SER 209 Cb 0.57 -1.52 0.04 0.00 -0.26 0.00 0.00 64.21 63.05 3grr n SER 209 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3grr h VAL 210 N -0.13 0.90 -0.30 -3.33 2.07 -1.03 -0.27 116.25 114.15 3grr h VAL 210 Ca -0.49 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 66.98 3grr h VAL 210 Cb 1.32 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 3grr h VAL 210 CO 0.49 0.06 -0.32 -0.09 0.02 0.00 0.00 177.57 177.73 3grr h ARG 211 N 0.36 -0.29 -0.16 1.57 2.43 -1.37 0.24 114.38 117.16 3grr h ARG 211 Ca 0.20 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 3grr h ARG 211 Cb 0.17 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3grr h ARG 211 CO -0.18 -0.20 -0.36 0.87 -1.51 0.00 0.00 179.97 178.59 3grr h LYS 212 N -0.30 0.33 -0.38 0.20 1.57 -1.74 -2.08 116.57 114.17 3grr h LYS 212 Ca 0.14 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3grr h LYS 212 Cb 0.54 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3grr h LYS 212 CO -0.47 0.65 0.07 0.00 -0.57 0.00 0.00 179.45 179.13 3grr h ALA 213 N 1.34 0.50 -0.40 3.86 0.00 -0.61 -1.12 119.26 122.83 3grr h ALA 213 Ca 0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3grr h ALA 213 Cb 0.77 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3grr h ALA 213 CO 0.06 0.20 -0.12 -0.07 0.00 0.00 0.00 179.25 179.32 3grr h LEU 214 N 0.47 0.71 -0.03 0.00 3.38 -0.72 -0.45 115.31 118.66 3grr h LEU 214 Ca 0.12 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3grr h LEU 214 Cb 0.35 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3grr h LEU 214 CO 0.01 0.85 -0.00 0.40 0.09 0.00 0.00 178.44 179.79 3grr h ILE 215 N 0.66 1.26 -1.00 1.22 2.04 -1.32 -1.23 117.51 119.14 3grr h ILE 215 Ca 0.11 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.24 3grr h ILE 215 Cb 0.58 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 38.32 3grr h ILE 215 CO 0.04 0.21 0.65 0.44 0.00 0.00 0.00 178.15 179.49 3grr h ASP 216 N -0.26 1.08 -0.71 1.72 3.32 -1.04 -2.73 116.42 117.80 3grr h ASP 216 Ca 0.01 -0.01 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 3grr h ASP 216 Cb 0.33 -0.24 -0.18 0.00 0.22 0.00 0.00 39.33 39.46 3grr h ASP 216 CO 0.00 0.73 0.31 -1.20 -1.72 0.00 0.00 179.24 177.36 3grr n SER 217 N -4.45 3.76 -0.12 6.45 7.64 -0.19 -4.71 113.62 122.00 3grr n SER 217 Ca 0.14 -3.50 0.07 0.00 1.01 0.00 0.00 58.87 56.59 3grr n SER 217 Cb 0.11 -0.74 0.40 0.00 -1.01 0.00 0.00 64.21 62.98 3grr n SER 217 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3grr h SER 218 N 1.55 0.55 0.26 6.43 4.64 -0.89 -0.30 113.55 125.80 3grr h SER 218 Ca 0.38 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3grr h SER 218 Cb 2.31 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 64.28 3grr h SER 218 CO 0.76 0.36 -0.02 0.11 -0.87 0.00 0.00 176.83 177.17 3grr h LYS 219 N 0.63 0.00 0.00 4.77 1.57 -1.80 -0.20 116.57 121.54 3grr h LYS 219 Ca 0.27 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3grr h LYS 219 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3grr h LYS 219 CO -0.08 0.02 -0.11 0.93 -0.57 0.00 0.00 179.45 179.63 3grr h GLU 220 N 0.00 0.00 -0.41 3.15 4.39 -1.36 -2.15 114.58 118.20 3grr h GLU 220 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3grr h GLU 220 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3grr h GLU 220 CO 0.00 0.11 0.00 1.28 -1.16 0.00 0.00 179.01 179.25 3grr n LEU 221 N -3.38 3.09 -3.17 1.33 4.77 -0.14 -4.91 117.00 114.59 3grr n LEU 221 Ca -0.01 -1.91 -0.20 0.00 -0.03 0.00 0.00 56.01 53.85 3grr n LEU 221 Cb 0.30 -0.27 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3grr n LEU 221 CO 0.29 0.76 0.21 0.59 -1.33 0.00 0.00 177.39 177.91 3grr n ASN 222 N 0.79 -5.61 -4.30 -1.43 3.02 -0.81 -5.04 115.26 101.87 3grr n ASN 222 Ca 0.14 -0.47 -0.24 0.00 -0.03 0.00 0.00 54.58 53.98 3grr n ASN 222 Cb 0.46 -4.43 -0.12 0.00 -0.61 0.00 0.00 39.78 35.08 3grr n ASN 222 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3grr s TYR 223 N -3.28 1.82 0.74 3.10 2.02 -0.88 -4.99 117.35 115.89 3grr s TYR 223 Ca 0.48 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.65 3grr s TYR 223 Cb -0.21 -0.99 0.04 0.00 -0.40 0.00 0.00 41.96 40.40 3grr s TYR 223 CO 0.63 0.22 1.12 0.54 -1.57 0.00 0.00 175.55 176.50 3grr s ASN 224 N -1.98 5.10 0.34 2.29 2.20 -1.26 -2.74 114.94 118.90 3grr s ASN 224 Ca 0.08 0.99 0.05 0.00 -0.94 0.00 0.00 52.86 53.04 3grr s ASN 224 Cb -0.10 -1.68 0.63 0.00 -2.00 0.00 0.00 41.25 38.10 3grr s ASN 224 CO 0.05 -1.54 1.89 0.07 -2.94 0.00 0.00 177.10 174.63 3grr h LYS 225 N -0.79 0.52 -0.32 3.55 5.09 -1.94 -1.15 116.57 121.52 3grr h LYS 225 Ca -0.45 -0.10 -0.16 0.00 0.09 0.00 0.00 60.65 60.02 3grr h LYS 225 Cb 1.28 -0.08 -0.00 0.00 0.10 0.00 0.00 32.23 33.53 3grr h LYS 225 CO 0.65 0.53 -0.43 -0.44 -2.09 0.00 0.00 179.45 177.67 3grr h ASP 226 N 0.50 0.94 -0.27 7.07 3.32 -1.94 -2.19 116.42 123.85 3grr h ASP 226 Ca 0.11 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 3grr h ASP 226 Cb 0.29 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3grr h ASP 226 CO 0.01 1.25 0.16 -0.33 -1.72 0.00 0.00 179.24 178.60 3grr h GLU 227 N 0.65 0.36 -0.49 3.56 5.08 -1.87 -2.56 114.58 119.32 3grr h GLU 227 Ca 0.04 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3grr h GLU 227 Cb 1.03 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3grr h GLU 227 CO 0.10 0.29 0.26 1.98 -1.00 0.00 0.00 179.01 180.64 3grr h MET 228 N 0.33 0.69 -0.39 2.33 4.05 -1.21 0.56 114.93 121.29 3grr h MET 228 Ca 0.10 -0.09 0.04 0.00 -0.28 0.00 0.00 59.70 59.47 3grr h MET 228 Cb 0.02 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.65 3grr h MET 228 CO -0.02 0.55 0.15 -0.22 0.23 0.00 0.00 176.91 177.61 3grr h LYS 229 N 0.65 0.31 -0.40 0.39 3.64 -1.34 -0.71 116.57 119.12 3grr h LYS 229 Ca 0.17 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3grr h LYS 229 Cb 0.07 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3grr h LYS 229 CO -0.03 0.21 0.12 -0.22 -2.27 0.00 0.00 179.45 177.27 3grr h LYS 230 N 0.32 0.62 -0.56 1.90 1.63 -1.20 -2.11 116.57 117.17 3grr h LYS 230 Ca 0.18 -0.13 0.11 0.00 -0.85 0.00 0.00 60.65 59.95 3grr h LYS 230 Cb 0.14 -0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 31.59 3grr h LYS 230 CO -0.16 0.62 0.08 0.82 -3.45 0.00 0.00 179.45 177.35 3grr h ILE 231 N 0.49 0.63 0.00 2.00 2.04 -0.51 -2.03 117.51 120.14 3grr h ILE 231 Ca 0.13 -0.07 -0.13 0.00 1.00 0.00 0.00 64.86 65.79 3grr h ILE 231 Cb 0.26 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3grr h ILE 231 CO -0.00 0.04 -0.61 -0.07 0.00 0.00 0.00 178.15 177.50 3grr h LEU 232 N 0.20 0.00 -0.09 1.44 3.38 -1.01 0.10 115.31 119.33 3grr h LEU 232 Ca 0.29 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.28 3grr h LEU 232 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3grr h LEU 232 CO -0.41 0.61 -0.01 -0.33 0.09 0.00 0.00 178.44 178.39 3grr h GLU 233 N 0.00 0.01 -0.27 1.13 5.08 -0.80 -0.43 114.58 119.30 3grr h GLU 233 Ca -0.01 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3grr h GLU 233 Cb 1.09 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3grr h GLU 233 CO 0.08 0.01 -0.09 -0.44 -1.00 0.00 0.00 179.01 177.57 3grr h ASP 234 N 0.01 0.55 -0.50 1.42 3.32 -1.17 -3.08 116.42 116.98 3grr h ASP 234 Ca 0.04 -0.38 0.04 0.00 0.02 0.00 0.00 57.03 56.76 3grr h ASP 234 Cb 0.06 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 3grr h ASP 234 CO -0.08 0.80 0.25 0.15 -1.72 0.00 0.00 179.24 178.64 3grr h PHE 235 N 0.29 0.46 -0.18 4.55 3.57 -0.76 -1.20 116.94 123.67 3grr h PHE 235 Ca 0.07 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.64 3grr h PHE 235 Cb 0.57 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3grr h PHE 235 CO 0.05 0.22 0.15 1.25 -2.23 0.00 0.00 178.31 177.75 3grr h LEU 236 N 0.49 0.00 0.00 0.59 6.46 -1.09 -1.57 115.31 120.19 3grr h LEU 236 Ca 0.22 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 3grr h LEU 236 Cb 0.13 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 3grr h LEU 236 CO -0.16 0.00 0.00 0.59 -0.62 0.00 0.00 178.44 178.25 3grr n ASN 237 N -4.21 0.00 -0.03 1.25 3.02 -0.46 -4.04 115.26 110.80 3grr n ASN 237 Ca 0.01 -0.06 -0.15 0.00 -0.03 0.00 0.00 54.58 54.35 3grr n ASN 237 Cb 0.28 -0.30 -0.09 0.00 -0.61 0.00 0.00 39.78 39.06 3grr n ASN 237 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3grr h THR 238 N 0.00 1.42 -3.00 3.41 1.35 -1.29 -3.47 112.91 111.32 3grr h THR 238 Ca 0.00 -1.76 -0.02 0.00 -0.55 0.00 0.00 66.41 64.08 3grr h THR 238 Cb 0.26 2.32 -0.12 0.00 -1.73 0.00 0.00 68.15 68.88 3grr h THR 238 CO 0.00 0.51 0.21 0.54 -0.25 0.00 0.00 175.52 176.53 3grr s ASN 239 N -6.45 -0.56 0.47 5.36 2.20 -1.26 -5.06 114.94 109.64 3grr s ASN 239 Ca -0.14 -0.02 0.24 0.00 -0.94 0.00 0.00 52.86 52.00 3grr s ASN 239 Cb 0.04 0.60 1.16 0.00 -2.00 0.00 0.00 41.25 41.05 3grr s ASN 239 CO 0.78 -0.98 1.96 0.77 -2.94 0.00 0.00 177.10 176.69 3grr h SER 240 N 2.00 0.00 -0.36 3.54 4.64 -1.92 -2.82 113.55 118.63 3grr h SER 240 Ca -0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 3grr h SER 240 Cb 1.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 3grr h SER 240 CO 0.38 0.20 0.20 -0.33 -0.87 0.00 0.00 176.83 176.40 3grr h GLU 241 N 0.00 0.50 -0.72 4.77 3.07 -1.97 -2.57 114.58 117.66 3grr h GLU 241 Ca -0.00 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 58.84 3grr h GLU 241 Cb 0.51 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.28 3grr h GLU 241 CO 0.03 0.41 0.45 0.82 -1.40 0.00 0.00 179.01 179.31 3grr h ILE 242 N 0.45 1.07 -0.10 3.13 1.08 -1.85 -1.55 117.51 119.75 3grr h ILE 242 Ca 0.13 -0.29 0.04 0.00 -0.39 0.00 0.00 64.86 64.34 3grr h ILE 242 Cb 0.05 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 33.90 3grr h ILE 242 CO -0.02 0.16 -0.15 0.50 -0.69 0.00 0.00 178.15 177.94 3grr h LYS 243 N 0.86 -0.19 -0.52 2.37 3.64 -1.47 -0.51 116.57 120.75 3grr h LYS 243 Ca 0.30 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.63 3grr h LYS 243 Cb 0.06 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3grr h LYS 243 CO -0.13 -0.13 0.07 -0.91 -2.27 0.00 0.00 179.45 176.08 3grr h ASN 244 N -0.20 0.78 0.04 4.20 2.35 -1.13 -2.64 115.58 118.99 3grr h ASN 244 Ca 0.08 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3grr h ASN 244 Cb 0.32 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3grr h ASN 244 CO -0.22 0.81 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.28 3grr h LEU 245 N 0.79 -0.05 -1.11 1.61 3.38 -0.91 -3.18 115.31 115.84 3grr h LEU 245 Ca 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3grr h LEU 245 Cb 0.37 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3grr h LEU 245 CO 0.01 0.22 -0.03 0.16 0.09 0.00 0.00 178.44 178.89 3grr h ILE 246 N -0.32 0.08 0.00 1.22 3.07 -1.03 -2.48 117.51 118.06 3grr h ILE 246 Ca -0.01 -0.70 0.00 0.00 1.55 0.00 0.00 64.86 65.70 3grr h ILE 246 Cb 0.29 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 3grr h ILE 246 CO 0.01 0.03 -0.11 0.59 -1.05 0.00 0.00 178.15 177.63 3grr n ASN 247 N -3.13 0.36 -4.85 2.16 3.02 -1.00 -1.03 115.26 110.79 3grr n ASN 247 Ca 0.01 0.41 -0.32 0.00 -0.03 0.00 0.00 54.58 54.65 3grr n ASN 247 Cb 0.37 -0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 39.03 3grr n ASN 247 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3grr s GLU 248 N -3.04 3.96 0.29 3.52 2.56 -0.93 -4.76 118.70 120.28 3grr s GLU 248 Ca 0.12 0.64 -0.30 0.00 0.00 0.00 0.00 54.97 55.44 3grr s GLU 248 Cb 0.16 -2.41 -0.10 0.00 2.00 0.00 0.00 34.13 33.78 3grr s GLU 248 CO 0.58 0.10 1.45 0.15 -0.56 0.00 0.00 175.26 176.98 3grr s LYS 249 N -3.21 4.23 0.21 4.30 1.02 -1.26 -1.64 119.74 123.39 3grr s LYS 249 Ca 0.54 2.37 -0.18 0.00 0.02 0.00 0.00 55.97 58.72 3grr s LYS 249 Cb -0.10 -3.07 0.20 0.00 -0.52 0.00 0.00 37.83 34.34 3grr s LYS 249 CO 0.21 -0.44 1.58 0.28 -0.92 0.00 0.00 175.35 176.06 3grr h VAL 250 N 3.35 0.13 0.00 3.17 2.07 -1.26 -0.19 116.25 123.53 3grr h VAL 250 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3grr h VAL 250 Cb 1.22 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3grr h VAL 250 CO 0.74 0.00 0.00 2.22 0.02 0.00 0.00 177.57 180.55 3grr n PHE 251 N -5.46 0.00 0.51 1.57 -1.74 -0.93 -2.22 117.46 109.19 3grr n PHE 251 Ca 0.07 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.08 3grr n PHE 251 Cb 0.38 -0.48 0.11 0.00 1.52 0.00 0.00 39.48 41.01 3grr n PHE 251 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 3grr n LYS 252 N -1.48 0.33 -2.41 3.97 5.02 -0.09 -0.36 118.16 123.14 3grr n LYS 252 Ca 0.05 0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 55.98 3grr n LYS 252 Cb 0.20 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.50 3grr n LYS 252 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3grr s LEU 253 N -4.26 4.43 0.80 -0.35 1.02 -0.94 -4.52 118.68 114.85 3grr s LEU 253 Ca 0.05 2.15 -0.12 0.00 0.02 0.00 0.00 54.13 56.22 3grr s LEU 253 Cb 0.13 -3.60 0.07 0.00 0.02 0.00 0.00 46.19 42.82 3grr s LEU 253 CO 0.75 -0.37 1.13 -0.94 0.02 0.00 0.00 176.35 176.94 3grr s SER 254 N 0.36 4.01 0.20 2.29 1.04 -1.26 -4.72 113.70 115.62 3grr s SER 254 Ca 0.54 2.07 -0.10 0.00 0.48 0.00 0.00 55.95 58.94 3grr s SER 254 Cb -0.31 -2.55 0.26 0.00 0.10 0.00 0.00 66.02 63.52 3grr s SER 254 CO 0.34 -2.38 1.73 0.58 0.98 0.00 0.00 173.24 174.49 3grr h VAL 255 N -1.05 0.74 -0.44 5.02 2.07 -1.97 -0.51 116.25 120.11 3grr h VAL 255 Ca -0.45 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.04 3grr h VAL 255 Cb 1.26 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 3grr h VAL 255 CO 0.48 0.06 -0.11 0.50 0.02 0.00 0.00 177.57 178.53 3grr h LYS 256 N 0.34 0.00 -0.27 1.57 3.64 -1.97 -0.98 116.57 118.91 3grr h LYS 256 Ca 0.30 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.51 3grr h LYS 256 Cb 0.39 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3grr h LYS 256 CO -0.33 0.00 -0.51 -0.44 -2.27 0.00 0.00 179.45 175.90 3grr h ASP 257 N 0.00 0.84 -0.44 4.20 3.32 -1.74 -1.57 116.42 121.03 3grr h ASP 257 Ca 0.21 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 3grr h ASP 257 Cb 0.32 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3grr h ASP 257 CO -0.45 1.20 0.24 0.40 -1.72 0.00 0.00 179.24 178.90 3grr h ILE 258 N 0.60 1.17 0.11 0.35 2.04 -0.85 0.95 117.51 121.87 3grr h ILE 258 Ca 0.02 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3grr h ILE 258 Cb 1.09 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3grr h ILE 258 CO 0.11 0.18 -0.05 0.58 0.00 0.00 0.00 178.15 178.96 3grr h VAL 259 N 0.58 0.92 -0.52 1.67 2.07 -1.08 -1.26 116.25 118.64 3grr h VAL 259 Ca 0.16 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.59 3grr h VAL 259 Cb 0.07 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3grr h VAL 259 CO -0.02 0.03 0.32 -1.13 0.02 0.00 0.00 177.57 176.78 3grr h ASN 260 N -0.20 0.52 0.33 0.57 -1.24 -1.21 -0.33 115.58 114.02 3grr h ASN 260 Ca -0.02 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 3grr h ASN 260 Cb 0.16 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.09 3grr h ASN 260 CO 0.03 0.37 -0.18 0.25 -1.29 0.00 0.00 177.43 176.60 3grr h LEU 261 N 0.64 -0.45 -0.69 0.34 5.85 -0.68 -1.10 115.31 119.22 3grr h LEU 261 Ca 0.20 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.00 3grr h LEU 261 Cb -0.00 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3grr h LEU 261 CO -0.08 -0.30 0.40 0.77 -0.34 0.00 0.00 178.44 178.89 3grr h SER 262 N -0.48 0.62 -0.57 1.25 4.64 -1.14 0.25 113.55 118.12 3grr h SER 262 Ca -0.04 0.02 0.09 0.00 -0.47 0.00 0.00 61.79 61.39 3grr h SER 262 Cb 0.39 -0.11 -0.07 0.00 -0.31 0.00 0.00 62.40 62.30 3grr h SER 262 CO 0.05 0.41 0.18 0.78 -0.87 0.00 0.00 176.83 177.38 3grr h ASN 263 N 0.75 0.15 -0.31 4.97 2.35 -0.83 0.89 115.58 123.55 3grr h ASN 263 Ca 0.30 0.08 -0.17 0.00 -0.55 0.00 0.00 56.30 55.97 3grr h ASN 263 Cb 0.14 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 3grr h ASN 263 CO -0.16 0.10 -0.44 -0.33 -1.65 0.00 0.00 177.43 174.95 3grr h GLU 264 N 0.35 0.88 -0.42 0.81 5.08 -0.60 -2.41 114.58 118.28 3grr h GLU 264 Ca 0.28 -0.49 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 3grr h GLU 264 Cb 0.36 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3grr h GLU 264 CO -0.31 1.13 0.04 0.35 -1.00 0.00 0.00 179.01 179.22 3grr h PHE 265 N 0.71 0.77 -0.12 4.33 3.57 -0.69 0.28 116.94 125.78 3grr h PHE 265 Ca 0.05 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.47 3grr h PHE 265 Cb 1.03 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 3grr h PHE 265 CO 0.06 0.76 -0.17 -0.92 -2.23 0.00 0.00 178.31 175.81 3grr h TYR 266 N 0.56 -0.45 -0.66 0.41 3.20 -0.78 0.91 116.97 120.16 3grr h TYR 266 Ca 0.12 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.03 3grr h TYR 266 Cb 0.42 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 3grr h TYR 266 CO 0.03 -0.25 0.44 0.00 -1.64 0.00 0.00 178.16 176.74 3grr h ARG 267 N -0.22 0.86 -0.23 1.82 3.08 -1.23 -0.11 114.38 118.34 3grr h ARG 267 Ca 0.09 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3grr h ARG 267 Cb 0.36 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3grr h ARG 267 CO -0.25 0.57 0.05 0.35 -1.07 0.00 0.00 179.97 179.62 3grr h PHE 268 N 0.89 0.09 -0.35 3.04 3.57 -0.55 -1.79 116.94 121.83 3grr h PHE 268 Ca 0.24 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.66 3grr h PHE 268 Cb -0.09 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3grr h PHE 268 CO -0.03 0.03 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.81 3grr h LEU 269 N 0.14 0.67 -0.93 0.59 3.38 -0.50 -2.32 115.31 116.34 3grr h LEU 269 Ca 0.11 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3grr h LEU 269 Cb 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3grr h LEU 269 CO -0.13 0.86 -0.24 1.56 0.09 0.00 0.00 178.44 180.58 3grr h GLN 270 N 0.59 0.51 0.00 1.13 1.08 -0.83 -1.86 115.11 115.72 3grr h GLN 270 Ca 0.09 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3grr h GLN 270 Cb 0.66 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 3grr h GLN 270 CO 0.05 0.71 0.00 -1.71 -0.95 0.00 0.00 178.83 176.93 3grr n ASN 271 N -4.13 0.00 -0.37 1.46 5.15 -0.69 -5.10 115.26 111.58 3grr n ASN 271 Ca -0.00 0.37 0.05 0.00 -0.60 0.00 0.00 54.58 54.40 3grr n ASN 271 Cb 0.40 -0.45 0.04 0.00 -0.53 0.00 0.00 39.78 39.23 3grr n ASN 271 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52