#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrs s LEU 32 N 0.00 4.36 0.83 -2.67 1.43 -1.26 -5.02 118.68 116.35 3jrs s LEU 32 Ca 0.00 2.88 -0.11 0.00 -1.03 0.00 0.00 54.13 55.87 3jrs s LEU 32 Cb 0.00 -3.65 0.09 0.00 0.03 0.00 0.00 46.19 42.66 3jrs s LEU 32 CO 0.00 -0.78 1.09 0.42 0.23 0.00 0.00 176.35 177.31 3jrs s THR 33 N -0.68 3.02 0.21 5.49 -4.23 -1.26 -4.78 115.64 113.42 3jrs s THR 33 Ca 0.55 0.33 -0.10 0.00 -1.18 0.00 0.00 61.69 61.30 3jrs s THR 33 Cb -0.44 -2.87 0.16 0.00 1.34 0.00 0.00 72.50 70.69 3jrs s THR 33 CO 0.54 -0.43 1.71 -0.61 -0.54 0.00 0.00 174.62 175.29 3jrs h GLN 34 N -1.30 0.28 -0.54 3.99 4.15 -1.99 0.29 115.11 119.99 3jrs h GLN 34 Ca -0.47 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 58.82 3jrs h GLN 34 Cb 1.26 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 3jrs h GLN 34 CO 0.54 0.18 -0.12 -0.44 -1.93 0.00 0.00 178.83 177.06 3jrs h ASP 35 N 0.28 1.03 0.00 -0.69 3.32 -2.00 -1.51 116.42 116.86 3jrs h ASP 35 Ca 0.32 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3jrs h ASP 35 Cb 0.47 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3jrs h ASP 35 CO -0.39 1.15 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.95 3jrs h GLU 36 N 0.91 -0.00 -0.48 3.56 5.08 -1.81 -2.37 114.58 119.47 3jrs h GLU 36 Ca 0.14 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.58 3jrs h GLU 36 Cb 0.70 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.85 3jrs h GLU 36 CO 0.05 0.13 -0.37 0.35 -1.00 0.00 0.00 179.01 178.17 3jrs h PHE 37 N -0.13 -1.05 -0.03 4.33 3.04 -0.16 -0.73 116.94 122.20 3jrs h PHE 37 Ca -0.00 0.07 0.03 0.00 3.98 0.00 0.00 57.97 62.04 3jrs h PHE 37 Cb 0.13 0.53 -0.03 0.00 2.56 0.00 0.00 35.95 39.14 3jrs h PHE 37 CO -0.03 -0.40 -0.13 1.15 -2.02 0.00 0.00 178.31 176.87 3jrs h THR 38 N -0.24 0.66 0.00 4.41 2.02 -1.32 0.52 112.91 118.96 3jrs h THR 38 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 3jrs h THR 38 Cb 0.56 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3jrs h THR 38 CO -0.61 0.00 -0.05 -0.61 0.37 0.00 0.00 175.52 174.62 3jrs h GLN 39 N -0.21 0.00 -0.14 6.66 4.15 -1.15 -2.87 115.11 121.54 3jrs h GLN 39 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3jrs h GLN 39 Cb 0.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3jrs h GLN 39 CO -0.16 0.05 0.00 1.28 -1.93 0.00 0.00 178.83 178.07 3jrs n LEU 40 N -4.42 3.09 0.20 -2.39 4.32 0.41 -4.72 117.00 113.49 3jrs n LEU 40 Ca -0.03 -1.16 -0.15 0.00 -0.02 0.00 0.00 56.01 54.65 3jrs n LEU 40 Cb 0.13 -0.08 -0.07 0.00 -1.62 0.00 0.00 43.42 41.78 3jrs n LEU 40 CO 0.34 0.57 0.64 -1.28 -1.22 0.00 0.00 177.39 176.45 3jrs h SER 41 N 4.49 -0.90 -0.38 -1.43 0.87 0.12 -1.52 113.55 114.80 3jrs h SER 41 Ca 0.00 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 3jrs h SER 41 Cb 0.97 0.31 -0.02 0.00 -0.44 0.00 0.00 62.40 63.22 3jrs h SER 41 CO 0.00 -0.46 -0.05 0.06 -0.53 0.00 0.00 176.83 175.85 3jrs h GLN 42 N -0.67 0.80 -0.51 2.24 -0.00 -1.84 -1.20 115.11 113.91 3jrs h GLN 42 Ca -0.01 -0.24 0.03 0.00 -0.00 0.00 0.00 58.65 58.43 3jrs h GLN 42 Cb 0.62 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.48 27.98 3jrs h GLN 42 CO -0.08 0.84 0.29 0.77 -0.00 0.00 0.00 178.83 180.65 3jrs h SER 43 N 0.73 0.46 -0.27 0.06 0.02 -1.85 0.17 113.55 112.87 3jrs h SER 43 Ca 0.13 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3jrs h SER 43 Cb 0.52 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3jrs h SER 43 CO 0.03 0.32 0.10 0.40 -1.14 0.00 0.00 176.83 176.54 3jrs h ILE 44 N 0.58 1.18 -0.48 3.27 2.04 -1.01 0.13 117.51 123.22 3jrs h ILE 44 Ca 0.21 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.57 3jrs h ILE 44 Cb 0.06 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 3jrs h ILE 44 CO -0.11 0.19 0.21 0.00 0.00 0.00 0.00 178.15 178.44 3jrs h ALA 45 N 0.94 0.60 -0.34 1.87 0.00 -0.91 0.11 119.26 121.52 3jrs h ALA 45 Ca 0.09 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3jrs h ALA 45 Cb 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3jrs h ALA 45 CO -0.01 -0.16 -0.30 1.49 0.00 0.00 0.00 179.25 180.28 3jrs h GLU 46 N 0.42 0.81 0.00 0.00 4.81 -0.39 -3.39 114.58 116.84 3jrs h GLU 46 Ca 0.22 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3jrs h GLU 46 Cb 0.17 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3jrs h GLU 46 CO -0.19 1.05 -0.96 1.19 -0.73 0.00 0.00 179.01 179.37 3jrs n PHE 47 N -4.19 0.00 -1.20 0.92 3.72 0.42 -4.84 117.46 112.29 3jrs n PHE 47 Ca -0.03 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.43 3jrs n PHE 47 Cb 0.49 -0.02 0.09 0.00 -0.94 0.00 0.00 39.48 39.10 3jrs n PHE 47 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3jrs n HIS 48 N -1.49 0.00 -4.83 1.38 8.25 0.30 -4.87 115.22 113.96 3jrs n HIS 48 Ca -0.00 -0.67 -0.31 0.00 -0.26 0.00 0.00 57.72 56.48 3jrs n HIS 48 Cb 0.02 -0.11 -0.13 0.00 1.12 0.00 0.00 29.99 30.89 3jrs n HIS 48 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3jrs s THR 49 N -1.89 2.76 0.04 1.59 2.01 -0.75 -4.90 115.64 114.50 3jrs s THR 49 Ca 0.20 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.18 3jrs s THR 49 Cb 0.17 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 3jrs s THR 49 CO 0.02 0.45 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.04 3jrs s TYR 50 N -0.82 0.52 -0.31 4.92 1.51 -1.26 -5.01 117.35 116.91 3jrs s TYR 50 Ca 0.13 -0.56 -0.00 0.00 -1.01 0.00 0.00 57.07 55.63 3jrs s TYR 50 Cb -0.10 -0.33 0.10 0.00 -0.11 0.00 0.00 41.96 41.52 3jrs s TYR 50 CO 0.03 -0.14 0.09 -0.65 -1.11 0.00 0.00 175.55 173.77 3jrs s GLN 51 N -1.76 0.76 0.13 -0.62 1.11 -1.26 -5.12 119.66 112.90 3jrs s GLN 51 Ca -0.10 -1.11 0.05 0.00 0.01 0.00 0.00 55.36 54.20 3jrs s GLN 51 Cb -0.08 -2.07 -0.04 0.00 -1.01 0.00 0.00 33.01 29.81 3jrs s GLN 51 CO -0.01 -0.98 0.07 -0.51 0.01 0.00 0.00 175.29 173.87 3jrs s LEU 52 N 1.57 3.62 0.86 2.90 1.43 -1.26 -5.13 118.68 122.68 3jrs s LEU 52 Ca 0.10 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 3jrs s LEU 52 Cb -0.17 -2.28 0.11 0.00 0.03 0.00 0.00 46.19 43.87 3jrs s LEU 52 CO -0.24 0.12 1.17 -0.83 0.23 0.00 0.00 176.35 176.79 3jrs s GLY 53 N -2.75 1.59 1.02 -3.19 0.00 -1.26 -5.05 107.32 97.68 3jrs s GLY 53 Ca 0.29 -0.62 -0.12 0.00 0.00 0.00 0.00 44.72 44.27 3jrs s GLY 53 CO 0.21 -0.09 1.08 -1.31 0.00 0.00 0.00 173.10 172.99 3jrs s ASN 54 N -4.36 2.31 0.00 1.64 -0.87 -1.26 -3.62 114.94 108.78 3jrs s ASN 54 Ca 0.63 1.58 0.00 0.00 -1.57 0.00 0.00 52.86 53.50 3jrs s ASN 54 Cb -0.12 -2.25 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 3jrs s ASN 54 CO 0.51 -3.39 0.00 0.61 -2.57 0.00 0.00 177.10 172.26 3jrs n GLY 55 N -0.16 0.62 3.16 0.66 0.00 -1.26 -5.00 105.19 103.21 3jrs n GLY 55 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 3jrs n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jrs s ARG 56 N -0.04 0.64 0.06 1.61 0.52 -1.24 -1.37 118.95 119.14 3jrs s ARG 56 Ca 0.00 -0.61 -0.09 0.00 -0.52 0.00 0.00 55.73 54.51 3jrs s ARG 56 Cb 0.00 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.73 3jrs s ARG 56 CO 0.00 -0.17 0.20 0.00 0.02 0.00 0.00 175.30 175.35 3jrs s SER 58 N -2.43 0.14 0.18 0.00 1.04 -1.26 -1.20 113.70 110.17 3jrs s SER 58 Ca -0.01 -0.67 -0.13 0.00 0.48 0.00 0.00 55.95 55.63 3jrs s SER 58 Cb 0.02 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.48 3jrs s SER 58 CO -0.07 -0.72 0.40 -0.55 0.98 0.00 0.00 173.24 173.28 3jrs s SER 59 N -2.86 -0.10 -0.04 7.02 0.15 -1.18 -4.99 113.70 111.70 3jrs s SER 59 Ca 0.05 -0.69 0.05 0.00 0.70 0.00 0.00 55.95 56.06 3jrs s SER 59 Cb 0.05 0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 64.86 3jrs s SER 59 CO -0.11 -0.98 -0.20 -0.22 1.20 0.00 0.00 173.24 172.94 3jrs s LEU 60 N -2.92 1.98 0.10 3.45 2.96 -1.26 -2.34 118.68 120.65 3jrs s LEU 60 Ca 0.13 -0.39 0.07 0.00 -0.22 0.00 0.00 54.13 53.73 3jrs s LEU 60 Cb 0.01 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.60 3jrs s LEU 60 CO -0.01 0.20 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.27 3jrs s LEU 61 N -0.16 2.32 0.04 -0.68 1.02 0.96 -4.97 118.68 117.20 3jrs s LEU 61 Ca -0.00 -0.70 0.05 0.00 0.02 0.00 0.00 54.13 53.50 3jrs s LEU 61 Cb -0.11 -0.77 -0.02 0.00 0.02 0.00 0.00 46.19 45.31 3jrs s LEU 61 CO 0.02 0.00 -0.15 0.00 0.02 0.00 0.00 176.35 176.23 3jrs s ALA 62 N -1.35 1.28 -0.03 4.21 0.00 -1.26 -1.68 121.76 122.93 3jrs s ALA 62 Ca 0.06 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.14 3jrs s ALA 62 Cb -0.09 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.84 3jrs s ALA 62 CO 0.04 0.25 -0.03 -1.14 0.00 0.00 0.00 175.76 174.88 3jrs s GLN 63 N -1.19 0.57 -0.02 0.00 2.00 -0.03 -4.98 119.66 116.01 3jrs s GLN 63 Ca 0.02 -0.04 -0.13 0.00 -2.00 0.00 0.00 55.36 53.21 3jrs s GLN 63 Cb -0.08 -0.64 -0.05 0.00 0.80 0.00 0.00 33.01 33.03 3jrs s GLN 63 CO 0.01 -0.08 0.36 1.03 -0.50 0.00 0.00 175.29 176.12 3jrs s ARG 64 N 0.83 3.84 -0.04 1.67 0.52 -1.26 -0.48 118.95 124.03 3jrs s ARG 64 Ca -0.10 0.32 0.02 0.00 -0.52 0.00 0.00 55.73 55.45 3jrs s ARG 64 Cb -0.13 -3.22 0.01 0.00 0.52 0.00 0.00 34.95 32.14 3jrs s ARG 64 CO -0.01 0.70 -0.07 0.42 0.02 0.00 0.00 175.30 176.37 3jrs s ILE 65 N -1.05 0.66 -1.17 1.52 1.01 0.86 -4.95 121.20 118.08 3jrs s ILE 65 Ca 0.22 -0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 3jrs s ILE 65 Cb -0.16 -0.63 0.23 0.00 0.01 0.00 0.00 42.46 41.91 3jrs s ILE 65 CO 0.12 0.23 1.44 1.41 0.00 0.00 0.00 174.94 178.14 3jrs n HIS 66 N 3.68 4.13 -3.52 3.97 8.25 -1.26 -0.82 115.22 129.65 3jrs n HIS 66 Ca -0.22 -3.26 -0.10 0.00 -0.26 0.00 0.00 57.72 53.88 3jrs n HIS 66 Cb 0.53 -1.81 -0.03 0.00 1.12 0.00 0.00 29.99 29.79 3jrs n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3jrs s ALA 67 N -0.40 -1.83 0.50 -1.41 0.00 -1.26 -4.70 121.76 112.66 3jrs s ALA 67 Ca 0.36 1.15 -0.22 0.00 0.00 0.00 0.00 51.96 53.24 3jrs s ALA 67 Cb -0.01 0.14 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 3jrs s ALA 67 CO -0.00 -0.57 1.26 -2.14 0.00 0.00 0.00 175.76 174.31 3jrs s PRO 68 N -2.50 3.47 0.50 0.00 0.02 -1.26 -3.36 135.00 131.87 3jrs s PRO 68 Ca 0.02 2.00 0.28 0.00 0.02 0.00 0.00 61.00 63.32 3jrs s PRO 68 Cb -0.01 -2.34 1.28 0.00 0.02 0.00 0.00 34.50 33.45 3jrs s PRO 68 CO -0.05 -0.85 1.98 -1.00 -0.33 0.00 0.00 177.00 176.74 3jrs h PRO 69 N 1.78 0.00 -0.99 5.54 0.13 -1.90 -0.12 132.00 136.44 3jrs h PRO 69 Ca -0.50 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.69 3jrs h PRO 69 Cb 1.27 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.34 3jrs h PRO 69 CO 0.59 0.14 0.64 0.93 -0.23 0.00 0.00 178.00 180.07 3jrs h GLU 70 N 0.00 1.15 0.04 0.86 3.07 -1.99 -0.21 114.58 117.50 3jrs h GLU 70 Ca -0.00 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3jrs h GLU 70 Cb 0.51 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3jrs h GLU 70 CO 0.02 0.76 -0.02 1.15 -1.40 0.00 0.00 179.01 179.52 3jrs h THR 71 N 1.18 1.31 -0.49 1.13 2.02 -1.41 -2.10 112.91 114.55 3jrs h THR 71 Ca 0.42 -1.19 0.04 0.00 0.77 0.00 0.00 66.41 66.45 3jrs h THR 71 Cb 0.13 2.09 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 3jrs h THR 71 CO -0.16 0.30 0.25 0.58 0.37 0.00 0.00 175.52 176.86 3jrs h VAL 72 N -0.58 0.97 -0.27 3.16 2.07 -1.29 -2.55 116.25 117.76 3jrs h VAL 72 Ca -0.01 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 3jrs h VAL 72 Cb 0.53 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3jrs h VAL 72 CO 0.01 0.09 -0.28 -0.25 0.02 0.00 0.00 177.57 177.16 3jrs h TRP 73 N 0.50 0.62 -0.14 1.57 2.91 -1.03 -1.59 115.95 118.79 3jrs h TRP 73 Ca 0.21 -0.14 0.04 0.00 1.13 0.00 0.00 58.89 60.13 3jrs h TRP 73 Cb 0.11 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 3jrs h TRP 73 CO -0.10 0.77 0.10 0.66 -1.03 0.00 0.00 178.44 178.85 3jrs h SER 74 N 0.48 0.00 0.12 2.65 4.64 -0.94 -0.65 113.55 119.85 3jrs h SER 74 Ca 0.06 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.06 3jrs h SER 74 Cb 0.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3jrs h SER 74 CO 0.06 0.00 -1.72 0.58 -0.87 0.00 0.00 176.83 174.88 3jrs h VAL 75 N 0.00 0.81 -0.95 0.95 2.07 -1.35 -3.37 116.25 114.40 3jrs h VAL 75 Ca 0.07 -2.36 0.12 0.00 0.82 0.00 0.00 66.70 65.35 3jrs h VAL 75 Cb 0.28 2.56 -0.08 0.00 -1.52 0.00 0.00 31.29 32.53 3jrs h VAL 75 CO -0.00 0.77 0.61 0.58 0.02 0.00 0.00 177.57 179.55 3jrs h VAL 76 N -0.16 0.91 -0.00 2.57 2.07 -1.02 -2.25 116.25 118.37 3jrs h VAL 76 Ca -0.37 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3jrs h VAL 76 Cb 1.88 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3jrs h VAL 76 CO 0.06 0.16 -0.14 -2.11 0.02 0.00 0.00 177.57 175.56 3jrs n ARG 77 N -4.58 0.54 -2.66 1.57 1.85 -0.28 -4.60 116.66 108.50 3jrs n ARG 77 Ca 0.18 -0.19 -0.43 0.00 -1.00 0.00 0.00 57.85 56.41 3jrs n ARG 77 Cb 0.37 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.28 3jrs n ARG 77 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3jrs s ARG 78 N -2.59 3.94 0.52 2.89 1.81 -0.85 -4.79 118.95 119.88 3jrs s ARG 78 Ca 0.25 -1.98 0.20 0.00 -1.72 0.00 0.00 55.73 52.49 3jrs s ARG 78 Cb 0.20 -5.39 1.35 0.00 -0.45 0.00 0.00 34.95 30.65 3jrs s ARG 78 CO 0.50 -2.14 2.12 0.35 -0.68 0.00 0.00 175.30 175.46 3jrs h PHE 79 N 7.86 0.00 0.00 -0.53 3.57 -1.87 -0.88 116.94 125.10 3jrs h PHE 79 Ca 0.38 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.88 3jrs h PHE 79 Cb 0.90 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.64 3jrs h PHE 79 CO 1.33 0.07 0.00 -0.40 -2.23 0.00 0.00 178.31 177.08 3jrs n ASP 80 N -4.19 0.00 -2.70 0.41 5.75 -1.26 -4.13 116.55 110.42 3jrs n ASP 80 Ca -0.03 0.15 -0.10 0.00 -0.01 0.00 0.00 54.79 54.80 3jrs n ASP 80 Cb 0.15 -0.37 0.02 0.00 -1.03 0.00 0.00 41.12 39.89 3jrs n ASP 80 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3jrs n ARG 81 N -1.37 1.17 0.31 0.11 1.74 -0.33 -4.85 116.66 113.43 3jrs n ARG 81 Ca 0.10 -3.29 0.19 0.00 -0.77 0.00 0.00 57.85 54.08 3jrs n ARG 81 Cb 0.25 -1.30 1.03 0.00 -1.02 0.00 0.00 32.46 31.42 3jrs n ARG 81 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3jrs h PRO 82 N 2.99 0.00 0.00 5.56 0.13 -1.71 -2.43 132.00 136.54 3jrs h PRO 82 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3jrs h PRO 82 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3jrs h PRO 82 CO 0.51 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.28 3jrs n GLN 83 N -3.31 0.16 -0.11 0.86 0.00 -1.26 -1.20 117.38 112.51 3jrs n GLN 83 Ca -0.02 0.41 0.11 0.00 0.00 0.00 0.00 57.00 57.50 3jrs n GLN 83 Cb 0.17 -1.81 0.47 0.00 0.00 0.00 0.00 30.24 29.07 3jrs n GLN 83 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 3jrs h ILE 84 N 0.00 0.91 0.00 -0.39 2.04 -1.82 -3.33 117.51 114.92 3jrs h ILE 84 Ca 0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3jrs h ILE 84 Cb 0.32 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3jrs h ILE 84 CO 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 178.15 178.12 3jrs n TYR 85 N -4.48 0.00 -3.07 1.37 0.18 -0.75 -4.99 117.16 105.43 3jrs n TYR 85 Ca 0.10 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.45 3jrs n TYR 85 Cb 0.36 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.26 3jrs n TYR 85 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3jrs s LYS 86 N -0.74 3.22 0.28 -3.48 1.02 -0.34 -4.40 119.74 115.30 3jrs s LYS 86 Ca 0.00 -0.59 0.02 0.00 0.02 0.00 0.00 55.97 55.41 3jrs s LYS 86 Cb 0.00 -4.04 0.59 0.00 -0.52 0.00 0.00 37.83 33.85 3jrs s LYS 86 CO 0.00 -1.22 1.82 0.45 -0.92 0.00 0.00 175.35 175.48 3jrs h HIS 87 N 9.03 1.09 -0.06 3.18 3.86 -1.89 -2.63 115.15 127.74 3jrs h HIS 87 Ca -0.27 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 3jrs h HIS 87 Cb 1.09 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 29.22 3jrs h HIS 87 CO 0.78 0.38 0.00 1.19 0.86 0.00 0.00 177.93 181.14 3jrs n PHE 88 N -4.67 0.06 -3.18 2.45 3.72 -1.26 -4.79 117.46 109.79 3jrs n PHE 88 Ca 0.20 -0.03 -0.41 0.00 -0.05 0.00 0.00 57.45 57.15 3jrs n PHE 88 Cb 0.40 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.87 3jrs n PHE 88 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3jrs s ILE 89 N -1.94 4.96 0.12 4.37 -1.09 -0.99 -0.96 121.20 125.67 3jrs s ILE 89 Ca 0.36 0.53 -0.04 0.00 -2.23 0.00 0.00 60.65 59.27 3jrs s ILE 89 Cb 0.20 -4.00 -0.20 0.00 -1.58 0.00 0.00 42.46 36.88 3jrs s ILE 89 CO 0.31 -0.22 1.28 0.50 -1.23 0.00 0.00 174.94 175.58 3jrs h LYS 90 N 8.40 0.38 -2.91 2.79 3.64 -0.78 -3.45 116.57 124.63 3jrs h LYS 90 Ca -0.27 -0.44 -0.03 0.00 -1.27 0.00 0.00 60.65 58.64 3jrs h LYS 90 Cb 1.12 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 32.94 3jrs h LYS 90 CO 0.80 1.12 0.17 -1.54 -2.27 0.00 0.00 179.45 177.72 3jrs s SER 91 N -7.09 -0.54 -0.03 4.20 1.04 -1.02 -5.00 113.70 105.27 3jrs s SER 91 Ca -0.05 0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.43 3jrs s SER 91 Cb 0.09 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.81 3jrs s SER 91 CO 0.87 -0.90 0.03 0.00 0.98 0.00 0.00 173.24 174.22 3jrs s ASN 93 N 1.50 3.91 0.23 0.00 0.02 -0.03 -4.95 114.94 115.61 3jrs s ASN 93 Ca -0.04 -0.26 0.05 0.00 -1.02 0.00 0.00 52.86 51.59 3jrs s ASN 93 Cb -0.13 -1.03 -0.05 0.00 0.02 0.00 0.00 41.25 40.06 3jrs s ASN 93 CO -0.03 0.29 -0.03 0.68 0.02 0.00 0.00 177.10 178.03 3jrs s VAL 94 N -0.40 1.22 0.83 1.60 -7.23 -1.26 -0.64 120.40 114.52 3jrs s VAL 94 Ca 0.04 -2.07 -0.13 0.00 -1.81 0.00 0.00 61.98 58.02 3jrs s VAL 94 Cb -0.12 -2.30 0.08 0.00 0.56 0.00 0.00 36.38 34.60 3jrs s VAL 94 CO 0.02 -0.38 1.13 -0.24 -0.31 0.00 0.00 175.10 175.32 3jrs n SER 95 N -0.43 0.69 0.20 4.85 2.88 -1.26 -4.91 113.62 115.63 3jrs n SER 95 Ca -0.06 0.55 0.05 0.00 -1.33 0.00 0.00 58.87 58.08 3jrs n SER 95 Cb 0.63 -1.48 0.40 0.00 -0.75 0.00 0.00 64.21 63.02 3jrs n SER 95 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3jrs h GLU 96 N -1.05 0.00 -0.81 -1.46 4.11 -2.02 -2.43 114.58 110.93 3jrs h GLU 96 Ca -0.46 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 58.77 3jrs h GLU 96 Cb 1.30 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.42 3jrs h GLU 96 CO 0.45 0.35 0.26 -0.25 0.07 0.00 0.00 179.01 179.88 3jrs n ASP 97 N -3.82 4.44 -4.62 3.06 8.00 -1.26 -5.03 116.55 117.31 3jrs n ASP 97 Ca -0.01 -3.07 -0.48 0.00 0.71 0.00 0.00 54.79 51.94 3jrs n ASP 97 Cb 0.42 -0.72 -0.04 0.00 -0.02 0.00 0.00 41.12 40.76 3jrs n ASP 97 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3jrs n PHE 98 N -0.13 1.74 -4.29 1.24 7.35 -0.92 -5.00 117.46 117.45 3jrs n PHE 98 Ca 0.37 0.54 -0.18 0.00 -0.76 0.00 0.00 57.45 57.42 3jrs n PHE 98 Cb 1.28 -2.38 -0.14 0.00 0.35 0.00 0.00 39.48 38.58 3jrs n PHE 98 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3jrs s GLU 99 N -0.06 0.63 -0.79 -4.13 2.12 -1.26 -5.05 118.70 110.16 3jrs s GLU 99 Ca 0.74 -0.30 -0.26 0.00 0.36 0.00 0.00 54.97 55.52 3jrs s GLU 99 Cb -0.78 -0.60 0.04 0.00 0.26 0.00 0.00 34.13 33.04 3jrs s GLU 99 CO 0.48 0.16 1.29 1.41 -0.54 0.00 0.00 175.26 178.07 3jrs s MET 100 N -0.23 3.26 -0.24 4.30 -2.45 -1.26 -4.74 119.30 117.93 3jrs s MET 100 Ca 0.03 -0.44 -0.16 0.00 -1.25 0.00 0.00 55.69 53.87 3jrs s MET 100 Cb -0.03 -4.39 0.07 0.00 1.25 0.00 0.00 34.83 31.73 3jrs s MET 100 CO -0.00 -2.14 0.61 0.50 1.05 0.00 0.00 175.02 175.04 3jrs s ARG 101 N 5.49 0.65 -0.04 4.11 3.52 -1.26 -5.09 118.95 126.34 3jrs s ARG 101 Ca 0.36 1.02 -0.40 0.00 -0.13 0.00 0.00 55.73 56.58 3jrs s ARG 101 Cb -0.07 0.17 -0.19 0.00 -1.56 0.00 0.00 34.95 33.30 3jrs s ARG 101 CO 0.10 -0.13 1.16 0.28 -0.81 0.00 0.00 175.30 175.91 3jrs n VAL 102 N 3.81 0.01 0.00 7.11 0.31 -1.26 -0.89 118.33 127.41 3jrs n VAL 102 Ca -0.19 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3jrs n VAL 102 Cb 0.57 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 3jrs n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jrs n GLY 103 N 1.90 1.30 3.76 2.92 0.00 -0.39 -5.01 105.19 109.68 3jrs n GLY 103 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3jrs n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jrs s THR 105 N -2.58 1.58 0.05 0.00 -4.23 -1.26 -1.08 115.64 108.11 3jrs s THR 105 Ca 0.65 -2.14 -0.06 0.00 -1.18 0.00 0.00 61.69 58.96 3jrs s THR 105 Cb -0.20 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 3jrs s THR 105 CO 0.49 -0.40 0.10 0.00 -0.54 0.00 0.00 174.62 174.27 3jrs s ARG 106 N -3.72 0.63 -0.22 3.99 1.70 -0.20 -4.61 118.95 116.53 3jrs s ARG 106 Ca 0.27 -0.81 -0.03 0.00 -0.47 0.00 0.00 55.73 54.69 3jrs s ARG 106 Cb 0.03 0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 3jrs s ARG 106 CO 0.10 -0.16 -0.06 -0.51 -1.08 0.00 0.00 175.30 173.58 3jrs s ASP 107 N -2.29 4.18 -0.06 -2.89 1.01 0.19 -1.55 116.67 115.26 3jrs s ASP 107 Ca -0.03 -0.50 -0.00 0.00 0.71 0.00 0.00 52.55 52.73 3jrs s ASP 107 Cb 0.00 -1.70 -0.03 0.00 1.01 0.00 0.00 42.92 42.20 3jrs s ASP 107 CO -0.06 -0.04 -0.02 0.68 0.21 0.00 0.00 175.17 175.95 3jrs s VAL 108 N 1.44 4.13 -0.13 -1.27 -7.23 -0.27 -0.86 120.40 116.21 3jrs s VAL 108 Ca 0.05 -0.38 -0.01 0.00 -1.81 0.00 0.00 61.98 59.83 3jrs s VAL 108 Cb -0.14 -2.75 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 3jrs s VAL 108 CO -0.04 0.55 -0.12 0.20 -0.31 0.00 0.00 175.10 175.38 3jrs s ASN 109 N -1.02 4.10 0.30 4.85 0.01 0.09 -1.76 114.94 121.51 3jrs s ASN 109 Ca 0.14 -0.31 -0.20 0.00 -0.71 0.00 0.00 52.86 51.78 3jrs s ASN 109 Cb -0.11 -1.63 -0.09 0.00 0.41 0.00 0.00 41.25 39.82 3jrs s ASN 109 CO 0.04 0.16 0.82 -0.69 -1.51 0.00 0.00 177.10 175.92 3jrs s VAL 110 N 0.36 4.48 0.98 1.60 1.01 -0.21 -0.14 120.40 128.49 3jrs s VAL 110 Ca -0.10 1.37 -0.14 0.00 0.00 0.00 0.00 61.98 63.11 3jrs s VAL 110 Cb -0.16 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.48 3jrs s VAL 110 CO 0.05 0.01 0.33 2.30 0.00 0.00 0.00 175.10 177.79 3jrs n ILE 111 N 0.20 0.00 -1.82 2.22 -5.35 -0.14 -4.56 119.36 109.92 3jrs n ILE 111 Ca 0.02 -0.21 -0.34 0.00 -0.27 0.00 0.00 62.75 61.95 3jrs n ILE 111 Cb 0.52 -0.61 0.04 0.00 -1.74 0.00 0.00 39.64 37.85 3jrs n ILE 111 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3jrs s SER 112 N -1.98 5.11 0.00 7.28 0.01 -1.26 -4.17 113.70 118.68 3jrs s SER 112 Ca 0.57 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.93 3jrs s SER 112 Cb -0.19 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.47 3jrs s SER 112 CO 0.67 -1.64 0.00 0.61 0.41 0.00 0.00 173.24 173.30 3jrs n GLY 113 N -0.22 0.63 3.95 3.44 0.00 -1.26 -5.05 105.19 106.68 3jrs n GLY 113 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 3jrs n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jrs s LEU 114 N 0.00 3.75 0.00 0.99 1.43 -1.26 -4.98 118.68 118.61 3jrs s LEU 114 Ca 0.00 0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.53 3jrs s LEU 114 Cb 0.00 -3.25 0.38 0.00 0.03 0.00 0.00 46.19 43.36 3jrs s LEU 114 CO 0.00 -0.58 0.80 -0.81 0.23 0.00 0.00 176.35 175.99 3jrs n PRO 115 N -2.01 0.41 -3.99 1.29 -0.04 -1.26 -4.71 135.00 124.70 3jrs n PRO 115 Ca -0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.37 3jrs n PRO 115 Cb 0.57 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.69 3jrs n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jrs s ALA 116 N -2.00 0.16 -0.06 0.55 0.00 -1.26 -4.73 121.76 114.42 3jrs s ALA 116 Ca 0.10 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.29 3jrs s ALA 116 Cb 0.04 0.25 -0.06 0.00 0.00 0.00 0.00 23.12 23.36 3jrs s ALA 116 CO 0.07 -0.32 -0.02 0.09 0.00 0.00 0.00 175.76 175.59 3jrs n ASN 117 N 0.65 3.52 -3.73 0.00 3.02 -0.20 -4.78 115.26 113.74 3jrs n ASN 117 Ca -0.18 -0.02 -0.11 0.00 -0.03 0.00 0.00 54.58 54.25 3jrs n ASN 117 Cb 0.59 0.33 -0.06 0.00 -0.61 0.00 0.00 39.78 40.03 3jrs n ASN 117 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3jrs s THR 118 N -2.14 0.09 -0.08 3.41 -4.23 -1.20 -1.04 115.64 110.44 3jrs s THR 118 Ca -0.06 -0.74 -0.06 0.00 -1.18 0.00 0.00 61.69 59.65 3jrs s THR 118 Cb 0.02 -1.11 0.03 0.00 1.34 0.00 0.00 72.50 72.78 3jrs s THR 118 CO 0.21 -0.41 0.21 -0.55 -0.54 0.00 0.00 174.62 173.54 3jrs s SER 119 N -2.49 -0.21 -0.20 3.99 0.15 -0.72 -1.73 113.70 112.48 3jrs s SER 119 Ca -0.00 0.43 -0.04 0.00 0.70 0.00 0.00 55.95 57.04 3jrs s SER 119 Cb 0.01 0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 3jrs s SER 119 CO -0.08 -0.10 -0.03 -0.60 1.20 0.00 0.00 173.24 173.63 3jrs s ARG 120 N 0.48 3.49 0.04 5.44 6.06 -0.45 -1.11 118.95 132.89 3jrs s ARG 120 Ca -0.03 -0.59 0.05 0.00 -2.50 0.00 0.00 55.73 52.67 3jrs s ARG 120 Cb -0.04 -2.99 -0.02 0.00 0.06 0.00 0.00 34.95 31.95 3jrs s ARG 120 CO -0.02 -0.05 -0.16 -1.21 -2.50 0.00 0.00 175.30 171.36 3jrs s GLU 121 N 1.12 1.04 -0.05 5.12 2.02 -0.60 -0.46 118.70 126.89 3jrs s GLU 121 Ca 0.02 -0.80 0.06 0.00 0.02 0.00 0.00 54.97 54.27 3jrs s GLU 121 Cb -0.15 -1.08 -0.01 0.00 0.10 0.00 0.00 34.13 32.99 3jrs s GLU 121 CO 0.00 0.27 -0.24 0.50 0.02 0.00 0.00 175.26 175.81 3jrs s ARG 122 N -1.16 2.45 -0.11 1.61 3.52 0.12 -1.03 118.95 124.36 3jrs s ARG 122 Ca 0.03 -0.90 -0.29 0.00 -0.13 0.00 0.00 55.73 54.44 3jrs s ARG 122 Cb -0.08 -2.15 -0.01 0.00 -1.56 0.00 0.00 34.95 31.14 3jrs s ARG 122 CO 0.01 0.44 0.99 -1.17 -0.81 0.00 0.00 175.30 174.77 3jrs s LEU 123 N -0.31 4.25 -0.12 -0.88 2.96 -0.24 -1.28 118.68 123.05 3jrs s LEU 123 Ca 0.01 1.51 0.18 0.00 -0.22 0.00 0.00 54.13 55.60 3jrs s LEU 123 Cb -0.13 -3.53 -0.26 0.00 0.50 0.00 0.00 46.19 42.78 3jrs s LEU 123 CO 0.02 -0.43 0.20 0.47 -1.32 0.00 0.00 176.35 175.29 3jrs n ASP 124 N 4.97 0.47 -3.80 3.68 8.00 0.61 -1.26 116.55 129.21 3jrs n ASP 124 Ca 0.08 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.46 3jrs n ASP 124 Cb 0.49 1.31 -0.12 0.00 -0.02 0.00 0.00 41.12 42.78 3jrs n ASP 124 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3jrs s LEU 125 N -4.98 1.17 -0.43 0.64 1.43 -1.17 -4.90 118.68 110.43 3jrs s LEU 125 Ca -0.08 0.42 0.05 0.00 -1.03 0.00 0.00 54.13 53.49 3jrs s LEU 125 Cb 0.08 0.76 0.17 0.00 0.03 0.00 0.00 46.19 47.23 3jrs s LEU 125 CO 0.78 -0.09 0.50 -0.22 0.23 0.00 0.00 176.35 177.55 3jrs s LEU 126 N 0.05 -0.32 -0.39 1.79 0.20 -1.25 -2.77 118.68 116.00 3jrs s LEU 126 Ca -0.01 -1.86 -0.06 0.00 0.69 0.00 0.00 54.13 52.89 3jrs s LEU 126 Cb -0.02 0.90 0.08 0.00 -0.43 0.00 0.00 46.19 46.72 3jrs s LEU 126 CO 0.00 -0.17 0.20 -0.62 -0.29 0.00 0.00 176.35 175.47 3jrs s ASP 127 N 1.02 5.42 0.00 3.68 -1.08 0.22 -4.94 116.67 120.99 3jrs s ASP 127 Ca 0.24 -1.55 0.23 0.00 -0.52 0.00 0.00 52.55 50.95 3jrs s ASP 127 Cb -0.05 -1.90 1.06 0.00 -1.46 0.00 0.00 42.92 40.56 3jrs s ASP 127 CO -0.08 -0.48 1.73 0.47 0.52 0.00 0.00 175.17 177.34 3jrs n ASP 128 N 4.79 0.00 -0.05 -0.34 8.00 -1.26 -0.21 116.55 127.49 3jrs n ASP 128 Ca -0.09 0.21 -0.02 0.00 0.71 0.00 0.00 54.79 55.60 3jrs n ASP 128 Cb 0.43 -0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 3jrs n ASP 128 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 3jrs h ASP 129 N 0.00 0.00 1.00 -2.24 1.82 -1.97 -3.39 116.42 111.64 3jrs h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3jrs h ASP 129 Cb 0.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.30 3jrs h ASP 129 CO 0.00 0.49 0.00 0.03 -1.61 0.00 0.00 179.24 178.15 3jrs h ARG 130 N -0.76 0.00 -4.72 0.28 3.08 -1.99 -3.47 114.38 106.80 3jrs h ARG 130 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3jrs h ARG 130 Cb 0.23 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.41 3jrs h ARG 130 CO 0.00 0.00 -0.59 0.54 -1.07 0.00 0.00 179.97 178.85 3jrs n ARG 131 N -2.51 -3.01 -4.89 0.04 1.74 0.71 -4.62 116.66 104.12 3jrs n ARG 131 Ca 0.02 0.62 -0.28 0.00 -0.77 0.00 0.00 57.85 57.45 3jrs n ARG 131 Cb 0.30 -4.77 -0.17 0.00 -1.02 0.00 0.00 32.46 26.80 3jrs n ARG 131 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jrs s VAL 132 N -3.27 1.57 0.22 1.55 1.01 -1.00 -1.22 120.40 119.26 3jrs s VAL 132 Ca 0.19 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3jrs s VAL 132 Cb -0.02 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 3jrs s VAL 132 CO 0.53 0.45 0.07 0.28 0.00 0.00 0.00 175.10 176.44 3jrs s THR 133 N 0.49 0.48 0.03 3.92 -1.32 0.50 -0.61 115.64 119.14 3jrs s THR 133 Ca -0.16 -1.99 -0.28 0.00 -1.21 0.00 0.00 61.69 58.05 3jrs s THR 133 Cb -0.17 -2.45 0.09 0.00 -1.51 0.00 0.00 72.50 68.47 3jrs s THR 133 CO 0.06 -0.15 0.92 -0.83 -2.21 0.00 0.00 174.62 172.41 3jrs s GLY 134 N -3.24 -0.40 0.19 6.08 0.00 -1.11 0.14 107.32 108.98 3jrs s GLY 134 Ca 0.34 0.78 -0.08 0.00 0.00 0.00 0.00 44.72 45.76 3jrs s GLY 134 CO 0.10 0.25 0.30 -0.11 0.00 0.00 0.00 173.10 173.64 3jrs s PHE 135 N -3.13 0.56 0.07 1.90 -0.71 -0.45 -0.29 117.98 115.93 3jrs s PHE 135 Ca 0.07 -0.89 0.07 0.00 -1.04 0.00 0.00 56.93 55.14 3jrs s PHE 135 Cb -0.01 -0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.67 3jrs s PHE 135 CO -0.06 -0.77 -0.19 -1.12 -1.34 0.00 0.00 175.22 171.74 3jrs s SER 136 N -3.02 2.33 -0.40 1.98 0.01 -0.41 -1.36 113.70 112.83 3jrs s SER 136 Ca 0.23 -0.59 -0.18 0.00 1.31 0.00 0.00 55.95 56.72 3jrs s SER 136 Cb 0.03 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.12 3jrs s SER 136 CO 0.05 0.08 0.50 -0.63 0.41 0.00 0.00 173.24 173.65 3jrs s ILE 137 N -0.99 5.01 -0.64 1.44 1.01 0.15 -0.70 121.20 126.48 3jrs s ILE 137 Ca 0.05 -0.05 0.22 0.00 0.00 0.00 0.00 60.65 60.87 3jrs s ILE 137 Cb -0.09 -4.05 -0.19 0.00 0.01 0.00 0.00 42.46 38.14 3jrs s ILE 137 CO 0.03 -0.40 0.89 0.35 0.00 0.00 0.00 174.94 175.81 3jrs n THR 138 N 5.52 0.07 -3.42 2.92 -2.24 0.39 -4.26 114.28 113.27 3jrs n THR 138 Ca -0.05 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3jrs n THR 138 Cb 0.48 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 3jrs n THR 138 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jrs n GLY 139 N 1.40 1.03 0.00 3.38 0.00 -1.13 -4.98 105.19 104.89 3jrs n GLY 139 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3jrs n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jrs n GLY 140 N 0.00 1.55 3.46 -0.02 0.00 -1.26 -1.34 105.19 107.58 3jrs n GLY 140 Ca 0.00 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 3jrs n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jrs s GLU 141 N -1.60 3.44 -0.02 1.61 2.02 -0.71 -4.91 118.70 118.54 3jrs s GLU 141 Ca 0.00 -1.41 -0.29 0.00 0.02 0.00 0.00 54.97 53.29 3jrs s GLU 141 Cb 0.00 -4.74 0.10 0.00 0.10 0.00 0.00 34.13 29.59 3jrs s GLU 141 CO 0.00 -1.83 1.28 -3.38 0.02 0.00 0.00 175.26 171.36 3jrs s HIS 142 N 3.33 0.02 -0.26 1.61 -3.43 -1.26 -1.04 115.29 114.26 3jrs s HIS 142 Ca 0.31 -0.14 0.12 0.00 -0.80 0.00 0.00 55.06 54.55 3jrs s HIS 142 Cb -0.08 0.56 0.47 0.00 -1.43 0.00 0.00 32.58 32.09 3jrs s HIS 142 CO -0.03 -0.27 1.17 0.54 -2.00 0.00 0.00 174.74 174.15 3jrs n ARG 143 N -0.85 2.86 -3.42 -0.38 5.12 -1.26 -4.85 116.66 113.88 3jrs n ARG 143 Ca 0.02 -3.86 -0.32 0.00 -1.93 0.00 0.00 57.85 51.77 3jrs n ARG 143 Cb 0.59 -1.98 -0.06 0.00 -1.16 0.00 0.00 32.46 29.85 3jrs n ARG 143 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3jrs n LEU 144 N -0.68 4.30 -4.74 0.55 4.77 -1.26 -4.82 117.00 115.12 3jrs n LEU 144 Ca 0.32 -5.34 -0.41 0.00 -0.03 0.00 0.00 56.01 50.55 3jrs n LEU 144 Cb 0.91 -0.86 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 3jrs n LEU 144 CO 0.26 1.89 0.86 -0.60 -1.33 0.00 0.00 177.39 178.47 3jrs s ARG 145 N -2.30 4.51 -1.42 3.23 6.06 -1.26 -3.30 118.95 124.47 3jrs s ARG 145 Ca 0.35 1.82 -0.05 0.00 -2.50 0.00 0.00 55.73 55.35 3jrs s ARG 145 Cb 0.08 -3.26 0.02 0.00 0.06 0.00 0.00 34.95 31.85 3jrs s ARG 145 CO -0.02 -0.06 0.40 0.09 -2.50 0.00 0.00 175.30 173.21 3jrs n ASN 146 N 2.61 -5.00 -4.74 -2.12 3.02 -1.26 -1.27 115.26 106.49 3jrs n ASN 146 Ca 0.04 -0.20 -0.41 0.00 -0.03 0.00 0.00 54.58 53.98 3jrs n ASN 146 Cb 0.45 -4.11 -0.03 0.00 -0.61 0.00 0.00 39.78 35.48 3jrs n ASN 146 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3jrs s TYR 147 N -2.99 3.28 -0.09 3.10 6.14 -1.21 -4.33 117.35 121.24 3jrs s TYR 147 Ca 0.25 1.32 -0.05 0.00 0.64 0.00 0.00 57.07 59.22 3jrs s TYR 147 Cb -0.12 -3.56 0.04 0.00 0.42 0.00 0.00 41.96 38.74 3jrs s TYR 147 CO 0.30 -1.67 0.22 0.21 0.64 0.00 0.00 175.55 175.25 3jrs s LYS 148 N -0.48 0.18 0.19 4.97 2.20 -0.23 -0.67 119.74 125.89 3jrs s LYS 148 Ca 0.54 0.48 0.07 0.00 -0.36 0.00 0.00 55.97 56.70 3jrs s LYS 148 Cb -0.36 -0.12 -0.05 0.00 -1.51 0.00 0.00 37.83 35.79 3jrs s LYS 148 CO 0.40 -0.16 -0.14 -1.54 -0.36 0.00 0.00 175.35 173.55 3jrs s SER 149 N 1.17 2.46 -0.04 1.43 1.04 -0.46 -0.41 113.70 118.89 3jrs s SER 149 Ca -0.09 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.36 3jrs s SER 149 Cb -0.10 -0.12 0.02 0.00 0.10 0.00 0.00 66.02 65.92 3jrs s SER 149 CO -0.07 -0.18 -0.06 -0.69 0.98 0.00 0.00 173.24 173.22 3jrs s VAL 150 N -2.89 0.59 -0.12 5.02 1.01 -0.40 -1.35 120.40 122.26 3jrs s VAL 150 Ca 0.20 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3jrs s VAL 150 Cb -0.01 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.80 3jrs s VAL 150 CO 0.06 0.22 -0.18 -0.89 0.00 0.00 0.00 175.10 174.31 3jrs s THR 151 N 0.69 1.72 0.08 3.92 2.01 0.12 -1.09 115.64 123.09 3jrs s THR 151 Ca -0.10 -0.78 0.09 0.00 0.31 0.00 0.00 61.69 61.21 3jrs s THR 151 Cb -0.13 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 3jrs s THR 151 CO 0.00 0.49 -0.23 0.42 -0.69 0.00 0.00 174.62 174.61 3jrs s THR 152 N 0.93 1.92 -0.11 -0.82 -4.23 0.15 -0.37 115.64 113.11 3jrs s THR 152 Ca -0.06 -1.44 0.02 0.00 -1.18 0.00 0.00 61.69 59.02 3jrs s THR 152 Cb -0.15 -1.68 -0.01 0.00 1.34 0.00 0.00 72.50 72.00 3jrs s THR 152 CO -0.02 0.16 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.36 3jrs s VAL 153 N -0.94 2.68 -0.03 2.29 1.01 -0.36 -1.06 120.40 123.99 3jrs s VAL 153 Ca 0.10 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3jrs s VAL 153 Cb -0.10 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.20 3jrs s VAL 153 CO 0.03 0.54 -0.09 -1.00 0.00 0.00 0.00 175.10 174.58 3jrs s HIS 154 N 0.29 0.98 0.08 5.22 3.76 0.22 -4.79 115.29 121.04 3jrs s HIS 154 Ca -0.13 -0.26 -0.24 0.00 -0.15 0.00 0.00 55.06 54.29 3jrs s HIS 154 Cb -0.16 -0.71 -0.06 0.00 1.11 0.00 0.00 32.58 32.75 3jrs s HIS 154 CO 0.07 -0.12 0.72 0.50 -0.85 0.00 0.00 174.74 175.05 3jrs s ARG 155 N 0.29 4.45 0.01 1.40 3.52 -1.26 -0.49 118.95 126.86 3jrs s ARG 155 Ca -0.05 1.00 0.03 0.00 -0.13 0.00 0.00 55.73 56.58 3jrs s ARG 155 Cb -0.10 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 3jrs s ARG 155 CO 0.01 0.44 -0.09 -0.06 -0.81 0.00 0.00 175.30 174.79 3jrs s PHE 156 N -0.57 0.78 -0.24 5.12 0.40 -0.07 -4.93 117.98 118.49 3jrs s PHE 156 Ca 0.35 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.46 3jrs s PHE 156 Cb -0.21 -0.49 0.03 0.00 0.51 0.00 0.00 43.02 42.86 3jrs s PHE 156 CO 0.23 -0.01 -0.09 -1.21 0.70 0.00 0.00 175.22 174.83 3jrs s GLU 157 N -0.51 2.78 -0.00 0.44 2.02 -1.26 -1.72 118.70 120.45 3jrs s GLU 157 Ca 0.01 -1.00 -0.17 0.00 0.02 0.00 0.00 54.97 53.83 3jrs s GLU 157 Cb -0.05 -2.90 -0.09 0.00 0.10 0.00 0.00 34.13 31.19 3jrs s GLU 157 CO 0.00 -0.39 0.88 0.87 0.02 0.00 0.00 175.26 176.64 3jrs h LYS 158 N 7.97 -0.60 -3.88 1.61 1.57 -2.01 -3.50 116.57 117.74 3jrs h LYS 158 Ca -0.33 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3jrs h LYS 158 Cb 1.10 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3jrs h LYS 158 CO 0.57 -0.40 -0.66 -2.13 -0.57 0.00 0.00 179.45 176.26 3jrs n ARG 164 N -4.42 -3.66 -3.19 3.15 3.00 -1.26 -5.15 116.66 105.13 3jrs n ARG 164 Ca -0.08 2.63 -0.39 0.00 -0.00 0.00 0.00 57.85 60.02 3jrs n ARG 164 Cb 0.24 -3.06 -0.06 0.00 0.00 0.00 0.00 32.46 29.59 3jrs n ARG 164 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3jrs s ILE 165 N -1.48 5.11 0.29 5.15 1.01 -1.26 -4.97 121.20 125.05 3jrs s ILE 165 Ca 0.00 1.16 0.03 0.00 0.00 0.00 0.00 60.65 61.84 3jrs s ILE 165 Cb 0.00 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 3jrs s ILE 165 CO 0.00 0.26 0.15 -1.66 0.00 0.00 0.00 174.94 173.70 3jrs s TRP 166 N 0.90 1.57 0.03 3.97 1.48 -0.70 -4.02 118.94 122.17 3jrs s TRP 166 Ca 0.30 -1.36 0.04 0.00 -1.06 0.00 0.00 56.10 54.03 3jrs s TRP 166 Cb -0.16 -0.84 -0.02 0.00 -1.16 0.00 0.00 33.47 31.29 3jrs s TRP 166 CO 0.13 -0.52 -0.13 0.99 -4.06 0.00 0.00 176.95 173.36 3jrs s THR 167 N -3.65 1.02 -0.10 0.66 2.01 -0.00 -0.89 115.64 114.68 3jrs s THR 167 Ca 0.36 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.46 3jrs s THR 167 Cb 0.05 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 3jrs s THR 167 CO 0.17 0.00 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.23 3jrs s VAL 168 N -0.81 2.64 -0.17 3.82 1.01 0.36 -0.10 120.40 127.15 3jrs s VAL 168 Ca 0.01 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 3jrs s VAL 168 Cb -0.07 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3jrs s VAL 168 CO 0.01 0.55 -0.01 -0.69 0.00 0.00 0.00 175.10 174.96 3jrs s VAL 169 N 0.18 4.05 -0.09 2.92 1.01 0.37 -0.61 120.40 128.23 3jrs s VAL 169 Ca -0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 3jrs s VAL 169 Cb -0.16 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3jrs s VAL 169 CO 0.06 0.47 0.01 -0.76 0.00 0.00 0.00 175.10 174.88 3jrs s LEU 170 N 0.55 3.65 -0.03 3.92 1.43 -0.22 -0.85 118.68 127.12 3jrs s LEU 170 Ca -0.01 0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3jrs s LEU 170 Cb -0.14 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.26 3jrs s LEU 170 CO 0.02 0.38 0.02 -0.70 0.23 0.00 0.00 176.35 176.30 3jrs s GLU 171 N -0.92 0.15 0.19 1.70 2.12 -0.68 -0.68 118.70 120.58 3jrs s GLU 171 Ca 0.14 0.18 0.07 0.00 0.36 0.00 0.00 54.97 55.71 3jrs s GLU 171 Cb -0.11 -0.46 -0.05 0.00 0.26 0.00 0.00 34.13 33.77 3jrs s GLU 171 CO 0.03 -0.20 -0.13 -1.54 -0.54 0.00 0.00 175.26 172.87 3jrs s SER 172 N 1.36 2.36 0.06 -1.70 1.04 -0.25 -0.03 113.70 116.54 3jrs s SER 172 Ca -0.05 -1.00 -0.09 0.00 0.48 0.00 0.00 55.95 55.28 3jrs s SER 172 Cb -0.13 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.89 3jrs s SER 172 CO -0.03 -0.20 0.19 -0.72 0.98 0.00 0.00 173.24 173.46 3jrs s TYR 173 N -3.00 0.09 0.06 5.02 -0.85 -0.99 -1.28 117.35 116.40 3jrs s TYR 173 Ca 0.20 -0.38 0.08 0.00 -0.52 0.00 0.00 57.07 56.45 3jrs s TYR 173 Cb -0.00 -0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.27 3jrs s TYR 173 CO 0.05 -0.46 -0.21 0.54 -1.52 0.00 0.00 175.55 173.95 3jrs s VAL 174 N -2.99 1.70 0.00 -3.49 0.11 0.46 -3.09 120.40 113.09 3jrs s VAL 174 Ca -0.02 -1.29 -0.18 0.00 -2.93 0.00 0.00 61.98 57.56 3jrs s VAL 174 Cb 0.01 -1.49 0.03 0.00 -1.53 0.00 0.00 36.38 33.40 3jrs s VAL 174 CO -0.06 0.15 0.40 0.54 -3.33 0.00 0.00 175.10 172.80 3jrs s VAL 175 N -0.88 0.05 0.56 2.04 0.11 -0.34 -1.07 120.40 120.87 3jrs s VAL 175 Ca 0.07 -0.41 -0.17 0.00 -2.93 0.00 0.00 61.98 58.54 3jrs s VAL 175 Cb -0.09 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 33.91 3jrs s VAL 175 CO 0.02 -0.22 1.07 -1.81 -3.33 0.00 0.00 175.10 170.82 3jrs s ASP 176 N -1.55 5.88 -0.36 3.54 1.01 -0.40 -1.09 116.67 123.70 3jrs s ASP 176 Ca -0.10 1.91 -0.17 0.00 0.71 0.00 0.00 52.55 54.90 3jrs s ASP 176 Cb -0.03 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 3jrs s ASP 176 CO 0.03 -1.10 0.45 -0.69 0.21 0.00 0.00 175.17 174.06 3jrs s VAL 177 N -2.21 5.08 0.28 -1.27 1.01 -0.47 -4.64 120.40 118.18 3jrs s VAL 177 Ca 0.66 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 3jrs s VAL 177 Cb -0.18 -3.93 -0.12 0.00 0.00 0.00 0.00 36.38 32.16 3jrs s VAL 177 CO 0.31 -0.21 1.61 -2.65 0.00 0.00 0.00 175.10 174.16 3jrs n PRO 178 N 5.60 2.69 -1.48 2.72 -0.02 -1.26 -4.85 135.00 138.39 3jrs n PRO 178 Ca -0.07 0.96 -0.53 0.00 -2.02 0.00 0.00 63.50 61.84 3jrs n PRO 178 Cb 0.49 -2.75 -0.05 0.00 -0.02 0.00 0.00 33.50 31.17 3jrs n PRO 178 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3jrs n GLU 179 N 2.39 0.26 0.00 -0.52 0.00 -1.26 -0.93 120.64 120.57 3jrs n GLU 179 Ca 0.10 0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.35 3jrs n GLU 179 Cb 0.36 -1.42 0.00 0.00 0.00 0.00 0.00 31.44 30.39 3jrs n GLU 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3jrs n GLY 180 N 1.79 1.77 3.89 -1.84 0.00 -1.26 -4.98 105.19 104.55 3jrs n GLY 180 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3jrs n GLY 180 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jrs s ASN 181 N -2.56 6.10 0.31 1.61 0.02 -0.11 -5.10 114.94 115.21 3jrs s ASN 181 Ca 0.00 1.16 0.01 0.00 -1.02 0.00 0.00 52.86 53.00 3jrs s ASN 181 Cb 0.00 -2.27 -0.04 0.00 0.02 0.00 0.00 41.25 38.97 3jrs s ASN 181 CO 0.00 -0.84 0.50 -0.94 0.02 0.00 0.00 177.10 175.85 3jrs s SER 182 N -4.18 6.32 0.25 -1.22 1.04 -1.26 -4.73 113.70 109.91 3jrs s SER 182 Ca 0.53 0.41 -0.05 0.00 0.48 0.00 0.00 55.95 57.32 3jrs s SER 182 Cb -0.11 -2.01 0.32 0.00 0.10 0.00 0.00 66.02 64.32 3jrs s SER 182 CO 0.50 -0.22 1.88 -0.08 0.98 0.00 0.00 173.24 176.29 3jrs h GLU 183 N 1.05 1.06 -0.41 4.02 4.81 -1.97 -2.28 114.58 120.87 3jrs h GLU 183 Ca -0.50 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.65 3jrs h GLU 183 Cb 1.21 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 3jrs h GLU 183 CO 0.63 0.70 0.18 0.93 -0.73 0.00 0.00 179.01 180.72 3jrs h GLU 184 N 1.10 0.60 -0.66 1.92 3.07 -1.99 -1.50 114.58 117.12 3jrs h GLU 184 Ca 0.38 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.36 59.06 3jrs h GLU 184 Cb 0.08 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 3jrs h GLU 184 CO -0.15 0.54 0.09 -0.44 -1.40 0.00 0.00 179.01 177.65 3jrs h ASP 185 N 0.52 1.06 0.04 1.42 3.32 -1.92 -2.11 116.42 118.74 3jrs h ASP 185 Ca 0.14 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.93 3jrs h ASP 185 Cb 0.15 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3jrs h ASP 185 CO -0.01 1.06 -0.11 0.74 -1.72 0.00 0.00 179.24 179.20 3jrs h THR 186 N 1.02 0.74 -0.49 0.35 2.02 -1.31 -1.64 112.91 113.60 3jrs h THR 186 Ca 0.20 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.39 3jrs h THR 186 Cb 0.47 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3jrs h THR 186 CO 0.02 0.00 0.32 -0.09 0.37 0.00 0.00 175.52 176.13 3jrs h ARG 187 N -0.20 0.63 -0.63 6.66 2.43 -1.28 -1.70 114.38 120.29 3jrs h ARG 187 Ca 0.03 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3jrs h ARG 187 Cb 0.23 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 3jrs h ARG 187 CO -0.08 0.41 0.31 1.25 -1.51 0.00 0.00 179.97 180.36 3jrs h LEU 188 N 0.64 0.42 0.61 3.80 5.85 -1.16 0.85 115.31 126.33 3jrs h LEU 188 Ca 0.18 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3jrs h LEU 188 Cb -0.05 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3jrs h LEU 188 CO -0.05 0.27 -0.40 0.15 -0.34 0.00 0.00 178.44 178.06 3jrs h PHE 189 N 0.57 -1.07 -0.34 1.25 3.57 -0.96 -0.93 116.94 119.03 3jrs h PHE 189 Ca 0.30 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.81 3jrs h PHE 189 Cb 0.26 0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 3jrs h PHE 189 CO -0.11 -0.60 0.18 0.00 -2.23 0.00 0.00 178.31 175.55 3jrs h ALA 190 N -0.69 0.42 -0.71 2.41 0.00 -1.17 -2.66 119.26 116.86 3jrs h ALA 190 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3jrs h ALA 190 Cb 0.79 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 3jrs h ALA 190 CO 0.06 -0.18 0.41 -0.44 0.00 0.00 0.00 179.25 179.10 3jrs h ASP 191 N 0.37 0.62 -0.54 0.00 3.32 -0.82 -0.55 116.42 118.82 3jrs h ASP 191 Ca 0.14 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3jrs h ASP 191 Cb 0.03 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3jrs h ASP 191 CO -0.08 0.40 0.25 0.74 -1.72 0.00 0.00 179.24 178.83 3jrs h THR 192 N 0.76 1.20 -0.13 0.35 2.02 -0.95 0.15 112.91 116.32 3jrs h THR 192 Ca 0.31 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3jrs h THR 192 Cb 0.17 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3jrs h THR 192 CO -0.17 0.23 0.04 0.58 0.37 0.00 0.00 175.52 176.56 3jrs h VAL 193 N 0.73 1.19 -0.58 3.16 2.07 -1.25 -1.97 116.25 119.60 3jrs h VAL 193 Ca 0.18 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3jrs h VAL 193 Cb 0.13 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3jrs h VAL 193 CO -0.02 0.17 0.29 0.40 0.02 0.00 0.00 177.57 178.42 3jrs h ILE 194 N 0.02 1.20 -0.49 4.57 2.04 -0.86 0.23 117.51 124.22 3jrs h ILE 194 Ca 0.04 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.38 3jrs h ILE 194 Cb 0.23 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 3jrs h ILE 194 CO -0.00 0.23 0.24 -0.09 0.00 0.00 0.00 178.15 178.53 3jrs h ARG 195 N 0.78 0.46 -0.73 2.37 2.43 -0.63 0.20 114.38 119.26 3jrs h ARG 195 Ca 0.20 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3jrs h ARG 195 Cb 0.10 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3jrs h ARG 195 CO -0.03 0.31 0.33 -0.07 -1.51 0.00 0.00 179.97 179.00 3jrs h LEU 196 N 0.48 0.98 -0.72 3.80 3.38 -1.11 -0.84 115.31 121.28 3jrs h LEU 196 Ca 0.22 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3jrs h LEU 196 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3jrs h LEU 196 CO -0.16 0.86 0.11 0.78 0.09 0.00 0.00 178.44 180.13 3jrs h ASN 197 N 1.04 1.05 0.86 -0.43 2.35 -0.14 -1.48 115.58 118.83 3jrs h ASN 197 Ca 0.25 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 3jrs h ASN 197 Cb 0.16 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3jrs h ASN 197 CO -0.03 1.04 -0.47 -0.07 -1.65 0.00 0.00 177.43 176.25 3jrs h LEU 198 N 1.03 0.00 -0.56 1.61 3.38 -0.73 0.48 115.31 120.51 3jrs h LEU 198 Ca 0.20 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 3jrs h LEU 198 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3jrs h LEU 198 CO 0.01 0.47 -0.01 1.56 0.09 0.00 0.00 178.44 180.57 3jrs h GLN 199 N 0.00 1.00 -0.44 1.13 4.20 -0.68 -1.48 115.11 118.84 3jrs h GLN 199 Ca -0.00 -0.32 -0.12 0.00 0.06 0.00 0.00 58.65 58.26 3jrs h GLN 199 Cb 1.03 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 3jrs h GLN 199 CO 0.06 1.00 -0.20 -0.22 -0.67 0.00 0.00 178.83 178.80 3jrs h LYS 200 N 0.89 0.89 -0.53 1.46 3.64 -0.68 -1.39 116.57 120.84 3jrs h LYS 200 Ca 0.16 -0.36 0.08 0.00 -1.27 0.00 0.00 60.65 59.26 3jrs h LYS 200 Cb 0.55 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 3jrs h LYS 200 CO 0.03 1.00 0.17 1.25 -2.27 0.00 0.00 179.45 179.64 3jrs h LEU 201 N 0.77 0.15 -0.06 5.20 5.85 -0.77 -0.13 115.31 126.32 3jrs h LEU 201 Ca 0.11 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3jrs h LEU 201 Cb 0.74 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3jrs h LEU 201 CO 0.06 0.11 0.02 0.00 -0.34 0.00 0.00 178.44 178.29 3jrs h ALA 202 N 1.37 0.08 -0.65 1.25 0.00 -0.85 -0.63 119.26 119.82 3jrs h ALA 202 Ca 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3jrs h ALA 202 Cb 0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3jrs h ALA 202 CO -0.28 -0.35 0.39 0.66 0.00 0.00 0.00 179.25 179.68 3jrs h SER 203 N -0.05 0.79 -0.22 0.00 4.64 -0.95 -0.25 113.55 117.51 3jrs h SER 203 Ca 0.02 -0.06 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3jrs h SER 203 Cb 0.15 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3jrs h SER 203 CO -0.00 0.62 0.11 0.40 -0.87 0.00 0.00 176.83 177.08 3jrs h ILE 204 N 0.89 1.00 -0.09 0.95 1.08 -0.95 -2.16 117.51 118.22 3jrs h ILE 204 Ca 0.23 -0.08 -0.18 0.00 -0.39 0.00 0.00 64.86 64.45 3jrs h ILE 204 Cb -0.02 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 3jrs h ILE 204 CO -0.04 0.04 -0.71 0.71 -0.69 0.00 0.00 178.15 177.46 3jrs h THR 205 N 0.23 1.38 -0.48 -0.27 1.35 -0.95 -2.69 112.91 111.47 3jrs h THR 205 Ca 0.09 -2.10 -0.07 0.00 -0.55 0.00 0.00 66.41 63.78 3jrs h THR 205 Cb 0.02 2.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 3jrs h THR 205 CO -0.06 0.63 0.01 -0.33 -0.25 0.00 0.00 175.52 175.53 3jrs h GLU 206 N 0.28 0.79 0.00 4.72 5.08 -1.01 -2.70 114.58 121.73 3jrs h GLU 206 Ca -0.03 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3jrs h GLU 206 Cb 1.27 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 3jrs h GLU 206 CO 0.12 0.79 -0.06 0.00 -1.00 0.00 0.00 179.01 178.86 3jrs h ALA 207 N 1.27 1.10 -0.12 3.43 0.00 -1.27 -3.05 119.26 120.62 3jrs h ALA 207 Ca 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3jrs h ALA 207 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3jrs h ALA 207 CO 0.02 0.08 -0.16 0.52 0.00 0.00 0.00 179.25 179.71 3jrs h MET 208 N 0.00 0.19 0.00 0.00 2.86 -1.14 -3.51 114.93 113.33 3jrs h MET 208 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3jrs h MET 208 Cb 0.36 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.99 3jrs h MET 208 CO 0.01 0.35 0.00 0.09 1.06 0.00 0.00 176.91 178.42