#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jr2 n PRO 4 N 0.00 -3.08 -3.97 1.64 -0.02 -1.23 -4.93 135.00 123.41 3jr2 n PRO 4 Ca 0.00 -0.60 -0.21 0.00 -2.02 0.00 0.00 63.50 60.66 3jr2 n PRO 4 Cb 0.00 -0.76 -0.17 0.00 -0.02 0.00 0.00 33.50 32.55 3jr2 n PRO 4 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3jr2 s ILE 6 N -1.48 0.46 -0.06 4.25 1.01 -1.26 -4.93 121.20 119.20 3jr2 s ILE 6 Ca 0.27 -0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.98 3jr2 s ILE 6 Cb -0.05 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 3jr2 s ILE 6 CO 0.23 0.24 -0.25 -1.58 0.00 0.00 0.00 174.94 173.58 3jr2 s GLN 7 N 1.40 2.53 -0.16 2.79 0.74 -0.40 -0.49 119.66 126.06 3jr2 s GLN 7 Ca -0.04 -0.90 -0.06 0.00 0.05 0.00 0.00 55.36 54.41 3jr2 s GLN 7 Cb -0.13 -2.15 -0.04 0.00 1.10 0.00 0.00 33.01 31.79 3jr2 s GLN 7 CO -0.03 0.39 0.04 -1.50 -0.55 0.00 0.00 175.29 173.64 3jr2 s ILE 8 N -0.18 4.60 -0.35 -2.34 2.07 -0.70 -1.84 121.20 122.45 3jr2 s ILE 8 Ca -0.03 -0.11 -0.16 0.00 -1.41 0.00 0.00 60.65 58.94 3jr2 s ILE 8 Cb -0.14 -3.05 -0.01 0.00 0.13 0.00 0.00 42.46 39.40 3jr2 s ILE 8 CO 0.03 0.49 0.42 0.00 -1.91 0.00 0.00 174.94 173.97 3jr2 s ALA 9 N 0.19 3.48 -0.55 1.50 0.00 -0.53 -1.08 121.76 124.77 3jr2 s ALA 9 Ca 0.03 -1.17 -0.22 0.00 0.00 0.00 0.00 51.96 50.60 3jr2 s ALA 9 Cb -0.13 -2.90 0.05 0.00 0.00 0.00 0.00 23.12 20.14 3jr2 s ALA 9 CO 0.01 -1.16 0.84 -0.51 0.00 0.00 0.00 175.76 174.95 3jr2 s LEU 10 N 2.15 4.41 -0.19 0.00 1.43 0.25 -4.61 118.68 122.11 3jr2 s LEU 10 Ca 0.14 -0.60 0.15 0.00 -1.03 0.00 0.00 54.13 52.79 3jr2 s LEU 10 Cb -0.16 -2.67 0.42 0.00 0.03 0.00 0.00 46.19 43.81 3jr2 s LEU 10 CO 0.12 -1.14 1.29 0.47 0.23 0.00 0.00 176.35 177.32 3jr2 n ASP 11 N 7.07 2.62 -4.65 2.29 8.00 -1.26 -1.52 116.55 129.10 3jr2 n ASP 11 Ca -0.01 -3.37 -0.36 0.00 0.71 0.00 0.00 54.79 51.76 3jr2 n ASP 11 Cb 0.47 -0.52 0.09 0.00 -0.02 0.00 0.00 41.12 41.13 3jr2 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jr2 n GLN 12 N -1.09 0.61 -0.11 -1.24 3.00 -1.26 -4.57 117.38 112.72 3jr2 n GLN 12 Ca 0.21 0.27 0.11 0.00 -0.01 0.00 0.00 57.00 57.58 3jr2 n GLN 12 Cb 0.79 -2.32 0.30 0.00 0.00 0.00 0.00 30.24 29.01 3jr2 n GLN 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 3jr2 n THR 13 N -2.45 0.30 -3.88 5.09 -2.24 -1.26 -3.34 114.28 106.50 3jr2 n THR 13 Ca 0.14 -0.51 -0.10 0.00 -2.27 0.00 0.00 64.05 61.30 3jr2 n THR 13 Cb 0.49 0.70 -0.09 0.00 -2.10 0.00 0.00 70.33 69.33 3jr2 n THR 13 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jr2 s ASN 14 N -1.58 0.08 0.21 3.42 4.22 -1.26 -4.86 114.94 115.17 3jr2 s ASN 14 Ca 0.35 -0.39 0.03 0.00 -2.14 0.00 0.00 52.86 50.70 3jr2 s ASN 14 Cb 0.20 0.25 0.16 0.00 1.28 0.00 0.00 41.25 43.14 3jr2 s ASN 14 CO 0.29 -0.51 1.50 0.25 -2.04 0.00 0.00 177.10 176.59 3jr2 h LEU 15 N 3.66 0.29 -0.37 3.54 5.85 -1.93 -2.77 115.31 123.57 3jr2 h LEU 15 Ca -0.32 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.28 3jr2 h LEU 15 Cb 1.19 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 3jr2 h LEU 15 CO 0.48 0.89 0.04 0.74 -0.34 0.00 0.00 178.44 180.25 3jr2 h THR 16 N 0.17 0.77 -0.57 1.05 2.02 -1.99 0.82 112.91 115.17 3jr2 h THR 16 Ca -0.02 -0.05 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 3jr2 h THR 16 Cb 1.24 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 3jr2 h THR 16 CO 0.11 0.03 -0.06 0.44 0.37 0.00 0.00 175.52 176.40 3jr2 h ASP 17 N 0.16 1.04 -0.53 4.18 3.32 -1.97 -2.42 116.42 120.19 3jr2 h ASP 17 Ca 0.18 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 3jr2 h ASP 17 Cb 0.23 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3jr2 h ASP 17 CO -0.26 1.13 0.23 0.00 -1.72 0.00 0.00 179.24 178.61 3jr2 h ALA 18 N 0.95 0.69 -1.00 3.45 0.00 -1.18 -1.72 119.26 120.46 3jr2 h ALA 18 Ca 0.15 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3jr2 h ALA 18 Cb 0.63 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 3jr2 h ALA 18 CO 0.04 0.29 0.65 0.28 0.00 0.00 0.00 179.25 180.50 3jr2 h VAL 19 N 0.72 1.12 -0.20 0.00 2.07 -0.66 -0.33 116.25 118.97 3jr2 h VAL 19 Ca 0.18 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 3jr2 h VAL 19 Cb 0.17 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.75 3jr2 h VAL 19 CO -0.02 0.22 -0.15 0.00 0.02 0.00 0.00 177.57 177.64 3jr2 h ALA 20 N 1.44 0.29 0.04 1.67 0.00 -1.19 -1.14 119.26 120.37 3jr2 h ALA 20 Ca 0.42 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3jr2 h ALA 20 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3jr2 h ALA 20 CO -0.15 0.18 -0.02 0.28 0.00 0.00 0.00 179.25 179.54 3jr2 h VAL 21 N 0.15 1.07 -0.51 0.00 2.07 -1.07 -2.00 116.25 115.95 3jr2 h VAL 21 Ca 0.04 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.33 3jr2 h VAL 21 Cb 0.67 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 3jr2 h VAL 21 CO 0.04 0.08 0.03 0.00 0.02 0.00 0.00 177.57 177.74 3jr2 h ALA 22 N 0.76 0.51 -1.00 1.67 0.00 -1.05 -1.09 119.26 119.06 3jr2 h ALA 22 Ca -0.01 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3jr2 h ALA 22 Cb 0.18 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3jr2 h ALA 22 CO 0.01 -0.37 0.66 1.03 0.00 0.00 0.00 179.25 180.57 3jr2 h SER 23 N 0.15 1.08 -0.00 0.00 0.87 -1.00 -0.66 113.55 113.99 3jr2 h SER 23 Ca 0.26 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.69 3jr2 h SER 23 Cb 0.39 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3jr2 h SER 23 CO -0.41 0.73 -0.41 0.78 -0.53 0.00 0.00 176.83 176.99 3jr2 h ASN 24 N 1.25 0.55 -0.02 6.23 2.35 -0.57 -3.24 115.58 122.13 3jr2 h ASN 24 Ca 0.41 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3jr2 h ASN 24 Cb 0.04 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3jr2 h ASN 24 CO -0.14 0.90 -0.36 1.33 -1.65 0.00 0.00 177.43 177.51 3jr2 n VAL 25 N -4.03 0.00 0.14 2.81 0.24 -0.49 -4.63 118.33 112.36 3jr2 n VAL 25 Ca -0.02 -0.32 0.05 0.00 -2.04 0.00 0.00 64.34 62.01 3jr2 n VAL 25 Cb 0.51 1.27 0.50 0.00 -1.47 0.00 0.00 33.84 34.65 3jr2 n VAL 25 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3jr2 h ALA 26 N 3.61 1.76 0.00 2.33 0.00 -1.15 -1.14 119.26 124.68 3jr2 h ALA 26 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3jr2 h ALA 26 Cb 0.72 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3jr2 h ALA 26 CO 0.00 0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 3jr2 n SER 27 N -4.44 0.47 0.00 0.00 3.41 -1.26 -3.58 113.62 108.22 3jr2 n SER 27 Ca -0.00 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 3jr2 n SER 27 Cb 0.13 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 3jr2 n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jr2 n TYR 28 N -2.01 0.00 -4.51 7.33 0.18 -0.46 -5.03 117.16 112.66 3jr2 n TYR 28 Ca 0.03 -0.23 -0.30 0.00 1.88 0.00 0.00 57.90 59.28 3jr2 n TYR 28 Cb 0.22 -0.02 -0.13 0.00 -0.38 0.00 0.00 39.34 39.03 3jr2 n TYR 28 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 3jr2 s VAL 29 N -0.45 2.58 -0.10 -3.48 -7.23 -1.02 -4.92 120.40 105.77 3jr2 s VAL 29 Ca 0.00 -1.47 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 3jr2 s VAL 29 Cb 0.00 -2.12 -0.24 0.00 0.56 0.00 0.00 36.38 34.58 3jr2 s VAL 29 CO 0.00 0.20 0.44 0.47 -0.31 0.00 0.00 175.10 175.90 3jr2 n ASP 30 N 1.17 1.47 -4.04 4.85 8.00 0.35 -4.87 116.55 123.48 3jr2 n ASP 30 Ca -0.17 0.27 -0.25 0.00 0.71 0.00 0.00 54.79 55.35 3jr2 n ASP 30 Cb 0.52 -0.39 -0.17 0.00 -0.02 0.00 0.00 41.12 41.07 3jr2 n ASP 30 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3jr2 s VAL 31 N -2.57 1.19 -0.16 2.53 1.01 -0.82 -2.91 120.40 118.68 3jr2 s VAL 31 Ca -0.15 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 3jr2 s VAL 31 Cb 0.07 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 3jr2 s VAL 31 CO 0.79 0.37 -0.08 -0.63 0.00 0.00 0.00 175.10 175.54 3jr2 s ILE 32 N 0.61 3.42 -0.14 2.22 1.01 -0.18 -1.73 121.20 126.41 3jr2 s ILE 32 Ca -0.14 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3jr2 s ILE 32 Cb -0.16 -2.48 -0.00 0.00 0.01 0.00 0.00 42.46 39.83 3jr2 s ILE 32 CO 0.04 0.49 -0.18 -0.70 0.00 0.00 0.00 174.94 174.60 3jr2 s GLU 33 N 0.56 3.17 -0.74 2.79 2.12 -0.24 -1.16 118.70 125.20 3jr2 s GLU 33 Ca -0.05 -0.78 -0.26 0.00 0.36 0.00 0.00 54.97 54.23 3jr2 s GLU 33 Cb -0.15 -2.54 0.03 0.00 0.26 0.00 0.00 34.13 31.73 3jr2 s GLU 33 CO 0.03 0.05 1.25 0.08 -0.54 0.00 0.00 175.26 176.13 3jr2 s VAL 34 N 0.70 3.79 0.89 3.70 1.01 0.21 -0.59 120.40 130.11 3jr2 s VAL 34 Ca -0.08 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 3jr2 s VAL 34 Cb -0.16 -4.90 0.12 0.00 0.00 0.00 0.00 36.38 31.45 3jr2 s VAL 34 CO 0.01 -1.82 1.11 -0.83 0.00 0.00 0.00 175.10 173.57 3jr2 s GLY 35 N 3.77 1.66 0.35 4.51 0.00 -0.57 -0.98 107.32 116.06 3jr2 s GLY 35 Ca 0.34 0.28 0.05 0.00 0.00 0.00 0.00 44.72 45.39 3jr2 s GLY 35 CO 0.14 0.72 1.96 -0.84 0.00 0.00 0.00 173.10 175.07 3jr2 h THR 36 N -1.62 1.04 -0.29 0.90 2.02 -1.80 -0.73 112.91 112.43 3jr2 h THR 36 Ca -0.46 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 3jr2 h THR 36 Cb 1.26 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3jr2 h THR 36 CO 0.48 0.14 0.18 0.40 0.37 0.00 0.00 175.52 177.10 3jr2 h ILE 37 N 0.79 1.09 -0.34 3.11 2.04 -1.87 -0.45 117.51 121.89 3jr2 h ILE 37 Ca 0.31 -0.21 -0.17 0.00 1.00 0.00 0.00 64.86 65.80 3jr2 h ILE 37 Cb 0.21 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3jr2 h ILE 37 CO -0.10 0.09 -0.44 0.25 0.00 0.00 0.00 178.15 177.95 3jr2 h LEU 38 N 0.37 0.95 -0.38 1.44 5.85 -1.38 -0.82 115.31 121.34 3jr2 h LEU 38 Ca 0.10 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.40 3jr2 h LEU 38 Cb -0.01 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 3jr2 h LEU 38 CO -0.02 1.24 0.17 0.00 -0.34 0.00 0.00 178.44 179.49 3jr2 h ALA 39 N 0.79 0.46 -0.04 1.25 0.00 -0.94 -0.35 119.26 120.43 3jr2 h ALA 39 Ca 0.04 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3jr2 h ALA 39 Cb 1.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3jr2 h ALA 39 CO 0.10 -0.21 -0.63 0.74 0.00 0.00 0.00 179.25 179.25 3jr2 h PHE 40 N 0.35 0.19 -0.42 0.00 0.04 -1.02 0.17 116.94 116.25 3jr2 h PHE 40 Ca 0.17 -0.08 -0.07 0.00 2.80 0.00 0.00 57.97 60.79 3jr2 h PHE 40 Cb 0.11 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3jr2 h PHE 40 CO -0.12 0.74 -0.02 0.00 -0.60 0.00 0.00 178.31 178.30 3jr2 h ALA 41 N 1.25 0.56 0.00 2.45 0.00 -0.72 -3.39 119.26 119.41 3jr2 h ALA 41 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3jr2 h ALA 41 Cb 1.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3jr2 h ALA 41 CO 0.09 0.37 -1.07 0.39 0.00 0.00 0.00 179.25 179.04 3jr2 n GLU 42 N -4.39 0.46 0.00 0.00 -0.58 -0.18 -5.04 120.64 110.90 3jr2 n GLU 42 Ca -0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 3jr2 n GLU 42 Cb 0.31 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 3jr2 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3jr2 n GLY 43 N 2.26 2.05 3.67 0.62 0.00 0.59 -4.53 105.19 109.86 3jr2 n GLY 43 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3jr2 n GLY 43 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3jr2 n LYS 45 N 0.00 0.00 -0.35 1.61 2.85 -1.26 -4.28 118.16 116.74 3jr2 n LYS 45 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 3jr2 n LYS 45 Cb 0.00 -0.83 0.09 0.00 -0.65 0.00 0.00 35.03 33.64 3jr2 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3jr2 h ALA 46 N 0.00 1.19 -0.08 0.58 0.00 -1.92 0.36 119.26 119.38 3jr2 h ALA 46 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3jr2 h ALA 46 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.41 3jr2 h ALA 46 CO 0.00 0.64 -0.14 0.28 0.00 0.00 0.00 179.25 180.02 3jr2 h VAL 47 N 1.28 1.40 -0.44 0.00 2.07 -1.89 -2.21 116.25 116.47 3jr2 h VAL 47 Ca 0.34 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 3jr2 h VAL 47 Cb -0.07 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3jr2 h VAL 47 CO -0.06 0.40 -0.04 0.77 0.02 0.00 0.00 177.57 178.66 3jr2 h SER 48 N -0.23 0.71 -0.09 0.57 4.64 -1.49 0.32 113.55 117.98 3jr2 h SER 48 Ca 0.00 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 3jr2 h SER 48 Cb 0.72 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3jr2 h SER 48 CO 0.03 0.80 0.00 0.74 -0.87 0.00 0.00 176.83 177.54 3jr2 h THR 49 N 0.68 1.25 -0.22 2.95 2.02 -0.94 -1.94 112.91 116.71 3jr2 h THR 49 Ca 0.13 -0.78 -0.10 0.00 0.77 0.00 0.00 66.41 66.43 3jr2 h THR 49 Cb 0.48 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3jr2 h THR 49 CO 0.02 0.22 -0.28 -0.07 0.37 0.00 0.00 175.52 175.78 3jr2 h LEU 50 N -0.13 0.43 -0.58 2.58 3.38 -1.28 -1.64 115.31 118.08 3jr2 h LEU 50 Ca 0.02 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3jr2 h LEU 50 Cb 0.34 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3jr2 h LEU 50 CO 0.00 0.71 0.31 -0.09 0.09 0.00 0.00 178.44 179.46 3jr2 h ARG 51 N 0.38 0.57 -0.46 1.13 9.65 -0.78 -1.20 114.38 123.67 3jr2 h ARG 51 Ca 0.05 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.85 3jr2 h ARG 51 Cb 0.69 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 3jr2 h ARG 51 CO 0.05 0.38 0.10 1.25 2.80 0.00 0.00 179.97 184.55 3jr2 h HIS 52 N 0.59 0.78 0.00 2.20 2.76 -0.98 -3.09 115.15 117.40 3jr2 h HIS 52 Ca 0.26 -0.10 -0.09 0.00 -2.20 0.00 0.00 60.37 58.24 3jr2 h HIS 52 Cb 0.16 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 3jr2 h HIS 52 CO -0.09 0.72 -0.42 -0.91 -1.30 0.00 0.00 177.93 175.92 3jr2 h ASN 53 N 0.61 0.00 -2.11 3.26 2.35 -1.07 -3.35 115.58 115.27 3jr2 h ASN 53 Ca 0.14 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.32 3jr2 h ASN 53 Cb 0.34 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.32 3jr2 h ASN 53 CO 0.00 0.42 -1.01 1.41 -1.65 0.00 0.00 177.43 176.60 3jr2 n HIS 54 N -3.56 0.11 0.27 1.19 8.25 -0.47 -4.98 115.22 116.03 3jr2 n HIS 54 Ca -0.00 -3.61 0.16 0.00 -0.26 0.00 0.00 57.72 54.01 3jr2 n HIS 54 Cb 0.54 -0.29 0.66 0.00 1.12 0.00 0.00 29.99 32.02 3jr2 n HIS 54 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3jr2 h PRO 55 N 4.31 0.00 0.00 -0.41 0.13 -1.69 -3.07 132.00 131.27 3jr2 h PRO 55 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3jr2 h PRO 55 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3jr2 h PRO 55 CO 0.50 0.03 -1.57 0.09 -0.23 0.00 0.00 178.00 176.81 3jr2 n ASN 56 N -3.14 0.44 -4.79 1.44 3.02 -1.26 -4.97 115.26 106.00 3jr2 n ASN 56 Ca 0.01 -0.42 -0.32 0.00 -0.03 0.00 0.00 54.58 53.82 3jr2 n ASN 56 Cb 0.32 1.58 0.05 0.00 -0.61 0.00 0.00 39.78 41.12 3jr2 n ASN 56 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3jr2 s HIS 57 N -3.29 2.78 0.05 3.10 3.76 -1.16 -5.01 115.29 115.52 3jr2 s HIS 57 Ca -0.01 1.52 -0.31 0.00 -0.15 0.00 0.00 55.06 56.11 3jr2 s HIS 57 Cb 0.15 -3.05 -0.06 0.00 1.11 0.00 0.00 32.58 30.73 3jr2 s HIS 57 CO 0.89 -1.51 1.23 0.42 -0.85 0.00 0.00 174.74 174.92 3jr2 s ILE 58 N -2.64 3.97 -0.11 0.60 1.01 -1.14 -4.95 121.20 117.92 3jr2 s ILE 58 Ca 0.63 1.40 0.02 0.00 0.00 0.00 0.00 60.65 62.69 3jr2 s ILE 58 Cb -0.17 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 3jr2 s ILE 58 CO 0.47 0.09 -0.17 -0.22 0.00 0.00 0.00 174.94 175.11 3jr2 s LEU 59 N 1.31 2.52 -0.07 2.97 2.96 -1.26 -1.01 118.68 126.10 3jr2 s LEU 59 Ca 0.59 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 3jr2 s LEU 59 Cb -0.30 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 3jr2 s LEU 59 CO 0.28 0.18 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.69 3jr2 s VAL 60 N 0.25 3.31 -0.34 1.68 1.01 -0.31 -0.15 120.40 125.84 3jr2 s VAL 60 Ca -0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 3jr2 s VAL 60 Cb -0.16 -2.33 0.05 0.00 0.00 0.00 0.00 36.38 33.94 3jr2 s VAL 60 CO 0.06 0.58 0.08 0.00 0.00 0.00 0.00 175.10 175.83 3jr2 s ASP 62 N 1.43 6.97 0.00 0.00 2.15 -0.15 -2.29 116.67 124.77 3jr2 s ASP 62 Ca -0.02 1.15 0.00 0.00 0.43 0.00 0.00 52.55 54.11 3jr2 s ASP 62 Cb -0.20 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 3jr2 s ASP 62 CO 0.00 0.18 0.00 0.29 -0.17 0.00 0.00 175.17 175.47 3jr2 n LYS 64 N 2.36 0.00 -1.66 4.34 5.02 -1.17 -2.77 118.16 124.27 3jr2 n LYS 64 Ca -0.09 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.74 3jr2 n LYS 64 Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.48 3jr2 n LYS 64 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3jr2 n THR 65 N 0.00 0.04 -0.00 -0.18 -1.04 -1.02 -3.73 114.28 108.34 3jr2 n THR 65 Ca 0.00 -0.01 -0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3jr2 n THR 65 Cb 0.00 -1.49 -0.01 0.00 -1.82 0.00 0.00 70.33 67.01 3jr2 n THR 65 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3jr2 n THR 66 N 3.30 0.06 -3.87 12.58 -1.04 -1.26 -0.20 114.28 123.84 3jr2 n THR 66 Ca 0.17 -0.04 -0.07 0.00 -2.04 0.00 0.00 64.05 62.06 3jr2 n THR 66 Cb 0.28 -0.67 -0.02 0.00 -1.82 0.00 0.00 70.33 68.10 3jr2 n THR 66 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3jr2 s ASP 67 N -2.92 -0.21 -1.37 8.00 -1.08 -1.26 -4.25 116.67 113.57 3jr2 s ASP 67 Ca -0.00 -0.70 -0.08 0.00 -0.52 0.00 0.00 52.55 51.24 3jr2 s ASP 67 Cb 0.00 0.73 0.02 0.00 -1.46 0.00 0.00 42.92 42.22 3jr2 s ASP 67 CO 0.04 -1.37 1.11 0.61 0.52 0.00 0.00 175.17 176.08 3jr2 n GLY 68 N -0.46 -0.51 0.22 2.66 0.00 -1.26 -4.92 105.19 100.91 3jr2 n GLY 68 Ca -0.04 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 3jr2 n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jr2 h GLY 69 N -2.48 0.80 0.72 -0.02 0.00 -1.93 -1.75 103.07 98.41 3jr2 h GLY 69 Ca -0.58 -0.85 0.05 0.00 0.00 0.00 0.00 47.33 45.95 3jr2 h GLY 69 CO 0.57 0.77 0.35 0.00 0.00 0.00 0.00 176.54 178.23 3jr2 h ALA 70 N 0.69 0.82 -0.12 3.60 0.00 -1.84 0.42 119.26 122.84 3jr2 h ALA 70 Ca 0.04 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3jr2 h ALA 70 Cb 0.93 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3jr2 h ALA 70 CO 0.08 0.03 -0.38 0.82 0.00 0.00 0.00 179.25 179.80 3jr2 h ILE 71 N 0.66 1.38 -0.47 0.00 2.04 -1.93 -2.39 117.51 116.80 3jr2 h ILE 71 Ca 0.27 -1.70 -0.03 0.00 1.00 0.00 0.00 64.86 64.41 3jr2 h ILE 71 Cb 0.14 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 3jr2 h ILE 71 CO -0.16 0.50 0.19 -0.07 0.00 0.00 0.00 178.15 178.61 3jr2 h LEU 72 N 0.05 0.64 -0.17 1.44 3.38 -1.18 -3.02 115.31 116.44 3jr2 h LEU 72 Ca -0.01 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3jr2 h LEU 72 Cb 1.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3jr2 h LEU 72 CO 0.08 0.63 0.07 0.28 0.09 0.00 0.00 178.44 179.59 3jr2 h SER 73 N 0.61 0.09 0.00 -0.43 0.02 -0.95 -1.91 113.55 110.98 3jr2 h SER 73 Ca 0.16 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3jr2 h SER 73 Cb 0.19 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3jr2 h SER 73 CO -0.01 0.08 0.00 -1.14 -1.14 0.00 0.00 176.83 174.61 3jr2 n ARG 74 N -5.04 0.00 0.00 3.45 0.63 -0.90 -1.63 116.66 113.17 3jr2 n ARG 74 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 3jr2 n ARG 74 Cb 0.06 -1.11 0.00 0.00 0.45 0.00 0.00 32.46 31.86 3jr2 n ARG 74 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3jr2 n ALA 76 N 0.66 0.00 -0.19 5.13 0.00 -0.72 -0.71 120.51 124.69 3jr2 n ALA 76 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3jr2 n ALA 76 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3jr2 n ALA 76 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3jr2 h PHE 77 N 0.00 1.07 -0.32 0.00 0.04 -1.54 -1.41 116.94 114.79 3jr2 h PHE 77 Ca 0.00 -0.20 -0.00 0.00 2.80 0.00 0.00 57.97 60.56 3jr2 h PHE 77 Cb 0.00 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 37.86 3jr2 h PHE 77 CO 0.00 0.99 0.18 0.93 -0.60 0.00 0.00 178.31 179.80 3jr2 h GLU 78 N 0.85 0.43 0.00 1.51 5.08 -1.16 -1.31 114.58 119.97 3jr2 h GLU 78 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3jr2 h GLU 78 Cb 0.59 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3jr2 h GLU 78 CO 0.04 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 178.36 3jr2 h ALA 79 N 1.76 1.00 0.00 3.43 0.00 -1.66 -3.47 119.26 120.33 3jr2 h ALA 79 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3jr2 h ALA 79 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3jr2 h ALA 79 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 3jr2 n GLY 80 N 0.64 0.80 3.73 0.00 0.00 -0.49 -3.15 105.19 106.72 3jr2 n GLY 80 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3jr2 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jr2 n ALA 81 N 0.00 1.74 0.01 4.61 0.00 -0.58 -4.84 120.51 121.45 3jr2 n ALA 81 Ca 0.00 0.32 -0.19 0.00 0.00 0.00 0.00 53.44 53.57 3jr2 n ALA 81 Cb 0.00 -2.33 -0.14 0.00 0.00 0.00 0.00 19.45 16.98 3jr2 n ALA 81 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3jr2 h ASP 82 N 2.54 0.36 -4.35 0.00 3.32 -0.89 -3.41 116.42 114.00 3jr2 h ASP 82 Ca -0.49 -0.79 -0.57 0.00 0.02 0.00 0.00 57.03 55.21 3jr2 h ASP 82 Cb 1.27 -0.12 -0.28 0.00 0.22 0.00 0.00 39.33 40.42 3jr2 h ASP 82 CO 0.62 1.70 -0.84 0.26 -1.72 0.00 0.00 179.24 179.26 3jr2 s TRP 83 N -2.57 1.72 0.10 4.55 0.51 -0.87 -1.42 118.94 120.95 3jr2 s TRP 83 Ca -0.19 -0.34 0.05 0.00 -2.12 0.00 0.00 56.10 53.51 3jr2 s TRP 83 Cb 0.07 -1.08 -0.03 0.00 -0.81 0.00 0.00 33.47 31.61 3jr2 s TRP 83 CO 0.79 0.01 -0.14 0.96 -0.51 0.00 0.00 176.95 178.05 3jr2 s ILE 84 N -0.56 1.21 0.03 2.03 -4.36 -0.61 -1.10 121.20 117.84 3jr2 s ILE 84 Ca 0.07 -1.52 0.01 0.00 -0.26 0.00 0.00 60.65 58.95 3jr2 s ILE 84 Cb -0.08 -1.31 -0.04 0.00 1.25 0.00 0.00 42.46 42.29 3jr2 s ILE 84 CO 0.00 -0.33 0.09 0.42 0.24 0.00 0.00 174.94 175.36 3jr2 s THR 85 N -1.74 4.74 -0.04 8.37 -4.23 -0.97 -0.85 115.64 120.92 3jr2 s THR 85 Ca 0.03 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 60.05 3jr2 s THR 85 Cb -0.07 -3.22 0.01 0.00 1.34 0.00 0.00 72.50 70.56 3jr2 s THR 85 CO 0.02 0.26 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.60 3jr2 s VAL 86 N -1.29 0.69 0.32 2.29 1.01 -0.10 -2.44 120.40 120.87 3jr2 s VAL 86 Ca 0.26 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 3jr2 s VAL 86 Cb -0.12 -0.66 -0.10 0.00 0.00 0.00 0.00 36.38 35.50 3jr2 s VAL 86 CO 0.18 0.24 1.40 -0.55 0.00 0.00 0.00 175.10 176.37 3jr2 s SER 87 N 0.57 6.62 0.61 3.32 0.15 0.72 -0.33 113.70 125.35 3jr2 s SER 87 Ca -0.09 2.78 0.28 0.00 0.70 0.00 0.00 55.95 59.62 3jr2 s SER 87 Cb -0.12 -2.65 1.43 0.00 -1.71 0.00 0.00 66.02 62.97 3jr2 s SER 87 CO 0.01 -0.68 1.83 0.00 1.20 0.00 0.00 173.24 175.61 3jr2 h ALA 88 N 3.79 2.00 0.00 5.45 0.00 -1.41 -1.62 119.26 127.47 3jr2 h ALA 88 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3jr2 h ALA 88 Cb 1.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3jr2 h ALA 88 CO 0.69 -0.69 -0.10 0.00 0.00 0.00 0.00 179.25 179.15 3jr2 n ALA 89 N -2.19 2.56 -1.77 0.00 0.00 -1.26 -4.84 120.51 113.01 3jr2 n ALA 89 Ca 0.06 -0.15 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 3jr2 n ALA 89 Cb 0.66 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.71 3jr2 n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jr2 s ALA 90 N -3.00 3.27 0.48 0.00 0.00 -0.61 -4.95 121.76 116.95 3jr2 s ALA 90 Ca 0.13 1.38 -0.24 0.00 0.00 0.00 0.00 51.96 53.23 3jr2 s ALA 90 Cb 0.19 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 3jr2 s ALA 90 CO 0.56 -1.03 1.36 -1.58 0.00 0.00 0.00 175.76 175.07 3jr2 s HIS 91 N -1.22 2.49 0.51 0.00 5.65 -1.26 -4.79 115.29 116.68 3jr2 s HIS 91 Ca 0.59 1.35 0.24 0.00 0.25 0.00 0.00 55.06 57.49 3jr2 s HIS 91 Cb -0.42 -3.78 1.34 0.00 -1.18 0.00 0.00 32.58 28.55 3jr2 s HIS 91 CO 0.54 -2.65 1.97 0.97 -0.65 0.00 0.00 174.74 174.92 3jr2 h ILE 92 N 1.96 0.73 -0.75 0.89 6.09 -1.94 0.76 117.51 125.25 3jr2 h ILE 92 Ca -0.51 -0.02 -0.05 0.00 -1.37 0.00 0.00 64.86 62.91 3jr2 h ILE 92 Cb 1.27 0.65 -0.03 0.00 0.47 0.00 0.00 36.82 39.18 3jr2 h ILE 92 CO 0.60 0.01 0.28 0.00 -3.07 0.00 0.00 178.15 175.98 3jr2 h ALA 93 N 1.71 1.09 -0.36 0.18 0.00 -1.99 0.60 119.26 120.49 3jr2 h ALA 93 Ca 0.29 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3jr2 h ALA 93 Cb 1.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3jr2 h ALA 93 CO -0.02 0.64 0.08 1.15 0.00 0.00 0.00 179.25 181.10 3jr2 h THR 94 N 1.09 1.23 -0.60 0.00 2.02 -1.24 -1.65 112.91 113.76 3jr2 h THR 94 Ca 0.25 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.68 3jr2 h THR 94 Cb 0.23 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 3jr2 h THR 94 CO -0.02 0.26 0.38 0.40 0.37 0.00 0.00 175.52 176.91 3jr2 h ILE 95 N 0.43 1.09 -0.80 3.11 2.04 -1.09 -0.54 117.51 121.74 3jr2 h ILE 95 Ca 0.11 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.75 3jr2 h ILE 95 Cb 0.31 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3jr2 h ILE 95 CO 0.00 0.14 0.53 0.00 0.00 0.00 0.00 178.15 178.82 3jr2 h ALA 96 N 1.25 1.50 -0.29 1.87 0.00 -0.80 -0.25 119.26 122.54 3jr2 h ALA 96 Ca 0.24 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3jr2 h ALA 96 Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3jr2 h ALA 96 CO -0.09 0.42 -0.42 0.00 0.00 0.00 0.00 179.25 179.17 3jr2 h ALA 97 N 1.53 0.71 -0.30 0.00 0.00 -0.40 0.16 119.26 120.96 3jr2 h ALA 97 Ca 0.32 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3jr2 h ALA 97 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3jr2 h ALA 97 CO -0.09 0.66 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 3jr2 h LYS 99 N 0.42 0.98 -0.38 0.00 1.63 -0.79 0.53 116.57 118.96 3jr2 h LYS 99 Ca 0.06 -0.18 0.01 0.00 -0.85 0.00 0.00 60.65 59.69 3jr2 h LYS 99 Cb 0.74 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 3jr2 h LYS 99 CO 0.05 0.83 0.24 -0.22 -3.45 0.00 0.00 179.45 176.90 3jr2 h LYS 100 N 0.96 0.47 -0.42 1.90 3.64 -0.88 0.55 116.57 122.78 3jr2 h LYS 100 Ca 0.22 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3jr2 h LYS 100 Cb 0.24 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3jr2 h LYS 100 CO -0.01 0.31 0.06 0.28 -2.27 0.00 0.00 179.45 177.82 3jr2 h VAL 101 N 0.48 1.24 -0.44 2.00 2.07 -1.15 -1.06 116.25 119.40 3jr2 h VAL 101 Ca 0.14 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.82 3jr2 h VAL 101 Cb -0.02 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3jr2 h VAL 101 CO -0.05 0.31 0.17 0.00 0.02 0.00 0.00 177.57 178.01 3jr2 h ALA 102 N 0.93 0.53 -0.65 1.67 0.00 -0.68 0.72 119.26 121.77 3jr2 h ALA 102 Ca 0.13 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3jr2 h ALA 102 Cb 0.38 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3jr2 h ALA 102 CO 0.01 -0.22 0.39 -0.44 0.00 0.00 0.00 179.25 178.99 3jr2 h ASP 103 N 0.34 0.62 0.42 0.00 3.32 -0.64 0.41 116.42 120.90 3jr2 h ASP 103 Ca 0.20 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 3jr2 h ASP 103 Cb 0.18 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3jr2 h ASP 103 CO -0.20 0.43 -0.33 -0.33 -1.72 0.00 0.00 179.24 177.09 3jr2 h GLU 104 N 0.76 0.00 -0.25 3.56 5.08 -0.60 -3.13 114.58 120.00 3jr2 h GLU 104 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3jr2 h GLU 104 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3jr2 h GLU 104 CO -0.13 0.33 0.00 1.28 -1.00 0.00 0.00 179.01 179.49 3jr2 n LEU 105 N -3.97 3.27 -3.83 1.33 4.77 0.19 -4.98 117.00 113.78 3jr2 n LEU 105 Ca -0.02 -2.58 -0.27 0.00 -0.03 0.00 0.00 56.01 53.12 3jr2 n LEU 105 Cb 0.39 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3jr2 n LEU 105 CO 0.37 0.68 0.04 0.59 -1.33 0.00 0.00 177.39 177.74 3jr2 n ASN 106 N -0.21 -3.37 -3.23 -1.43 3.02 -0.30 -4.99 115.26 104.75 3jr2 n ASN 106 Ca 0.16 -0.80 -0.14 0.00 -0.03 0.00 0.00 54.58 53.77 3jr2 n ASN 106 Cb 0.66 -3.94 -0.02 0.00 -0.61 0.00 0.00 39.78 35.86 3jr2 n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jr2 n GLY 107 N -1.67 3.72 3.15 7.41 0.00 -0.02 -5.04 105.19 112.74 3jr2 n GLY 107 Ca -0.09 -2.27 -0.17 0.00 0.00 0.00 0.00 46.02 43.48 3jr2 n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jr2 s GLU 108 N -2.87 0.76 -0.09 1.61 0.41 -0.51 -4.41 118.70 113.60 3jr2 s GLU 108 Ca 0.03 -0.91 -0.05 0.00 -0.41 0.00 0.00 54.97 53.63 3jr2 s GLU 108 Cb -0.00 -0.72 -0.04 0.00 -1.78 0.00 0.00 34.13 31.59 3jr2 s GLU 108 CO 0.02 0.16 0.09 0.42 -0.49 0.00 0.00 175.26 175.45 3jr2 s ILE 109 N -1.28 5.04 -0.05 -1.63 -1.09 -1.26 -1.57 121.20 119.36 3jr2 s ILE 109 Ca -0.04 -0.01 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 3jr2 s ILE 109 Cb -0.10 -3.19 -0.01 0.00 -1.58 0.00 0.00 42.46 37.58 3jr2 s ILE 109 CO 0.02 0.58 -0.21 -1.10 -1.23 0.00 0.00 174.94 173.00 3jr2 s GLN 110 N -1.08 2.15 -0.19 2.79 -0.21 -0.03 -4.31 119.66 118.78 3jr2 s GLN 110 Ca 0.16 -0.76 -0.20 0.00 0.02 0.00 0.00 55.36 54.58 3jr2 s GLN 110 Cb -0.12 -1.85 -0.03 0.00 1.00 0.00 0.00 33.01 32.02 3jr2 s GLN 110 CO 0.05 0.32 0.59 0.42 -2.12 0.00 0.00 175.29 174.54 3jr2 s ILE 111 N -0.08 5.06 -0.35 1.08 -1.09 -0.70 -0.93 121.20 124.20 3jr2 s ILE 111 Ca -0.03 1.11 -0.25 0.00 -2.23 0.00 0.00 60.65 59.25 3jr2 s ILE 111 Cb -0.12 -3.91 0.01 0.00 -1.58 0.00 0.00 42.46 36.86 3jr2 s ILE 111 CO 0.03 0.15 0.87 -1.61 -1.23 0.00 0.00 174.94 173.15 3jr2 s GLU 112 N 1.68 3.86 -0.62 2.79 0.41 0.55 -0.36 118.70 127.00 3jr2 s GLU 112 Ca 0.27 0.55 -0.26 0.00 -0.41 0.00 0.00 54.97 55.12 3jr2 s GLU 112 Cb -0.16 -3.78 0.04 0.00 -1.78 0.00 0.00 34.13 28.45 3jr2 s GLU 112 CO 0.10 -0.86 1.10 0.42 -0.49 0.00 0.00 175.26 175.54 3jr2 s ILE 113 N 3.27 4.11 0.04 -1.63 1.01 -0.68 -1.19 121.20 126.13 3jr2 s ILE 113 Ca 0.36 0.42 -0.01 0.00 0.00 0.00 0.00 60.65 61.42 3jr2 s ILE 113 Cb -0.13 -4.71 -0.03 0.00 0.01 0.00 0.00 42.46 37.60 3jr2 s ILE 113 CO 0.17 -1.40 -0.03 -0.31 0.00 0.00 0.00 174.94 173.36 3jr2 s TYR 114 N 4.70 0.41 0.00 3.97 2.02 -1.26 -4.64 117.35 122.54 3jr2 s TYR 114 Ca 0.34 -0.82 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 3jr2 s TYR 114 Cb -0.10 -0.30 0.00 0.00 -0.40 0.00 0.00 41.96 41.15 3jr2 s TYR 114 CO 0.19 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.29 3jr2 n GLY 115 N 0.78 -1.73 2.51 0.71 0.00 -1.26 -4.29 105.19 101.91 3jr2 n GLY 115 Ca -0.19 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 3jr2 n GLY 115 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3jr2 n ASN 116 N 0.01 7.78 -4.83 1.61 5.03 -1.26 -4.97 115.26 118.61 3jr2 n ASN 116 Ca 0.00 -3.23 -0.32 0.00 0.87 0.00 0.00 54.58 51.90 3jr2 n ASN 116 Cb 0.00 -1.32 -0.02 0.00 -1.02 0.00 0.00 39.78 37.43 3jr2 n ASN 116 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 3jr2 s TRP 117 N -1.68 3.35 0.00 3.10 1.48 -1.26 -5.12 118.94 118.80 3jr2 s TRP 117 Ca 0.53 1.46 0.00 0.00 -1.06 0.00 0.00 56.10 57.03 3jr2 s TRP 117 Cb 0.21 -2.84 0.00 0.00 -1.16 0.00 0.00 33.47 29.68 3jr2 s TRP 117 CO -0.12 -0.60 0.00 0.25 -4.06 0.00 0.00 176.95 172.42 3jr2 n THR 118 N -1.85 0.00 0.00 0.66 -2.24 -1.26 -5.03 114.28 104.56 3jr2 n THR 118 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3jr2 n THR 118 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3jr2 n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jr2 n GLN 120 N 0.00 0.00 -0.08 -0.78 6.02 -1.26 -1.91 117.38 119.37 3jr2 n GLN 120 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 3jr2 n GLN 120 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3jr2 n GLN 120 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3jr2 h ASP 121 N 0.00 0.05 -0.84 1.08 3.32 -1.99 -1.72 116.42 116.31 3jr2 h ASP 121 Ca 0.00 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.11 3jr2 h ASP 121 Cb 0.00 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 3jr2 h ASP 121 CO 0.00 0.06 0.55 0.00 -1.72 0.00 0.00 179.24 178.14 3jr2 h ALA 122 N 1.21 1.08 -0.39 3.45 0.00 -1.81 -1.14 119.26 121.67 3jr2 h ALA 122 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3jr2 h ALA 122 Cb 0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3jr2 h ALA 122 CO -0.17 0.45 0.13 0.87 0.00 0.00 0.00 179.25 180.53 3jr2 h LYS 123 N 1.12 0.55 -0.41 0.00 1.57 -1.79 -1.96 116.57 115.66 3jr2 h LYS 123 Ca 0.31 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.95 3jr2 h LYS 123 Cb -0.10 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3jr2 h LYS 123 CO -0.08 0.48 -0.03 0.00 -0.57 0.00 0.00 179.45 179.25 3jr2 h ALA 124 N 1.60 1.19 -0.42 3.86 0.00 -0.31 -0.50 119.26 124.67 3jr2 h ALA 124 Ca 0.13 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3jr2 h ALA 124 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3jr2 h ALA 124 CO -0.01 0.53 0.04 -1.49 0.00 0.00 0.00 179.25 178.31 3jr2 h TRP 125 N 0.62 0.78 -0.48 0.00 6.55 -0.78 -2.45 115.95 120.20 3jr2 h TRP 125 Ca 0.12 -0.12 -0.07 0.00 0.95 0.00 0.00 58.89 59.77 3jr2 h TRP 125 Cb 0.44 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 28.51 3jr2 h TRP 125 CO 0.02 0.76 0.02 0.28 -1.05 0.00 0.00 178.44 178.47 3jr2 h VAL 126 N 0.57 1.24 0.00 1.49 2.07 -1.11 -1.84 116.25 118.67 3jr2 h VAL 126 Ca 0.12 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 3jr2 h VAL 126 Cb 0.43 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3jr2 h VAL 126 CO 0.01 0.34 -0.14 0.44 0.02 0.00 0.00 177.57 178.25 3jr2 h ASP 127 N 0.73 0.00 0.21 0.57 3.32 -0.79 0.22 116.42 120.68 3jr2 h ASP 127 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3jr2 h ASP 127 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3jr2 h ASP 127 CO 0.02 0.14 0.00 0.18 -1.72 0.00 0.00 179.24 177.85 3jr2 n LEU 128 N -3.51 0.00 0.00 1.55 4.77 -0.81 -4.90 117.00 114.11 3jr2 n LEU 128 Ca -0.01 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3jr2 n LEU 128 Cb 0.29 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3jr2 n LEU 128 CO 0.30 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3jr2 n GLY 129 N 1.01 0.67 3.72 -0.72 0.00 0.06 -5.03 105.19 104.91 3jr2 n GLY 129 Ca 0.19 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3jr2 n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jr2 s ILE 130 N -2.00 4.89 -0.05 -0.61 1.01 -0.76 -4.95 121.20 118.74 3jr2 s ILE 130 Ca 0.00 1.67 0.07 0.00 0.00 0.00 0.00 60.65 62.39 3jr2 s ILE 130 Cb 0.00 -4.14 0.11 0.00 0.01 0.00 0.00 42.46 38.44 3jr2 s ILE 130 CO 0.00 0.27 0.99 0.35 0.00 0.00 0.00 174.94 176.54 3jr2 n THR 131 N 3.47 0.94 -4.31 2.92 -2.24 -1.26 -3.87 114.28 109.93 3jr2 n THR 131 Ca 0.00 -1.08 -0.18 0.00 -2.27 0.00 0.00 64.05 60.52 3jr2 n THR 131 Cb 0.51 0.29 -0.14 0.00 -2.10 0.00 0.00 70.33 68.89 3jr2 n THR 131 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3jr2 s GLN 132 N -1.32 0.73 -0.00 -0.78 -0.21 -1.26 -0.30 119.66 116.52 3jr2 s GLN 132 Ca 0.12 -0.47 -0.20 0.00 0.02 0.00 0.00 55.36 54.83 3jr2 s GLN 132 Cb 0.11 -0.69 0.04 0.00 1.00 0.00 0.00 33.01 33.47 3jr2 s GLN 132 CO 0.01 0.18 0.44 0.00 -2.12 0.00 0.00 175.29 173.80 3jr2 s ALA 133 N -0.51 -1.12 -0.30 6.09 0.00 -1.10 -1.72 121.76 123.10 3jr2 s ALA 133 Ca 0.01 0.57 -0.10 0.00 0.00 0.00 0.00 51.96 52.44 3jr2 s ALA 133 Cb -0.05 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 3jr2 s ALA 133 CO 0.00 -0.36 0.17 0.42 0.00 0.00 0.00 175.76 175.99 3jr2 s ILE 134 N -1.70 4.83 -0.25 0.00 -1.09 0.51 -0.50 121.20 123.01 3jr2 s ILE 134 Ca -0.10 -0.23 -0.04 0.00 -2.23 0.00 0.00 60.65 58.04 3jr2 s ILE 134 Cb -0.02 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 3jr2 s ILE 134 CO 0.03 0.12 -0.02 -0.47 -1.23 0.00 0.00 174.94 173.38 3jr2 s TYR 135 N 1.66 3.04 -0.11 3.97 5.04 0.13 -1.68 117.35 129.39 3jr2 s TYR 135 Ca 0.06 -1.10 -0.08 0.00 -2.44 0.00 0.00 57.07 53.50 3jr2 s TYR 135 Cb -0.17 -2.13 -0.04 0.00 0.35 0.00 0.00 41.96 39.97 3jr2 s TYR 135 CO 0.08 -0.60 0.18 -1.01 -1.34 0.00 0.00 175.55 172.85 3jr2 s HIS 136 N 1.44 3.60 0.19 4.97 3.76 -1.26 -1.91 115.29 126.08 3jr2 s HIS 136 Ca 0.03 0.57 -0.33 0.00 -0.15 0.00 0.00 55.06 55.19 3jr2 s HIS 136 Cb -0.16 -2.02 -0.15 0.00 1.11 0.00 0.00 32.58 31.37 3jr2 s HIS 136 CO -0.02 0.67 1.34 -2.13 -0.85 0.00 0.00 174.74 173.75 3jr2 n ARG 137 N 2.15 1.66 -1.61 1.40 0.63 -0.24 -4.79 116.66 115.86 3jr2 n ARG 137 Ca -0.19 0.59 -0.59 0.00 -0.92 0.00 0.00 57.85 56.75 3jr2 n ARG 137 Cb 0.54 -2.21 -0.08 0.00 0.45 0.00 0.00 32.46 31.17 3jr2 n ARG 137 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3jr2 n SER 138 N 2.29 1.04 -0.03 6.15 2.88 -1.26 -4.86 113.62 119.82 3jr2 n SER 138 Ca 0.14 1.14 0.05 0.00 -1.33 0.00 0.00 58.87 58.87 3jr2 n SER 138 Cb 0.28 -1.01 0.42 0.00 -0.75 0.00 0.00 64.21 63.14 3jr2 n SER 138 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3jr2 h ARG 139 N 4.47 0.56 -0.49 -1.46 9.65 -2.00 -1.74 114.38 123.37 3jr2 h ARG 139 Ca -0.48 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.29 3jr2 h ARG 139 Cb 1.38 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.81 3jr2 h ARG 139 CO 0.80 0.37 0.00 -0.44 2.80 0.00 0.00 179.97 183.50 3jr2 h ASP 140 N 0.58 0.79 -0.68 -3.80 3.32 -1.99 0.71 116.42 115.35 3jr2 h ASP 140 Ca 0.18 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3jr2 h ASP 140 Cb 0.02 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 3jr2 h ASP 140 CO -0.04 0.86 0.36 0.00 -1.72 0.00 0.00 179.24 178.69 3jr2 h ALA 141 N 1.23 0.87 -0.49 3.45 0.00 -1.68 -1.91 119.26 120.72 3jr2 h ALA 141 Ca 0.15 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3jr2 h ALA 141 Cb 0.46 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3jr2 h ALA 141 CO 0.02 0.40 0.08 0.93 0.00 0.00 0.00 179.25 180.68 3jr2 h GLU 142 N 0.93 0.82 -0.99 0.00 5.08 -0.84 -1.11 114.58 118.47 3jr2 h GLU 142 Ca 0.24 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3jr2 h GLU 142 Cb 0.07 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 3jr2 h GLU 142 CO -0.04 0.82 0.63 -0.07 -1.00 0.00 0.00 179.01 179.36 3jr2 h LEU 143 N 0.69 1.15 -0.01 1.33 3.38 -0.64 -1.12 115.31 120.09 3jr2 h LEU 143 Ca 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3jr2 h LEU 143 Cb 0.40 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3jr2 h LEU 143 CO 0.01 0.85 0.00 0.00 0.09 0.00 0.00 178.44 179.39 3jr2 n ALA 144 N -2.39 2.26 -3.29 1.53 0.00 -0.74 -4.95 120.51 112.94 3jr2 n ALA 144 Ca 0.11 -0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.30 3jr2 n ALA 144 Cb 0.03 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 18.08 3jr2 n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jr2 n GLY 145 N 1.34 -0.12 0.40 0.00 0.00 -0.43 -4.97 105.19 101.41 3jr2 n GLY 145 Ca 0.06 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.13 3jr2 n GLY 145 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3jr2 n ILE 146 N -4.29 0.00 -3.17 -0.61 -5.35 -0.89 -5.04 119.36 100.01 3jr2 n ILE 146 Ca 0.00 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 3jr2 n ILE 146 Cb 0.54 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 39.65 3jr2 n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3jr2 n GLY 147 N 0.58 -1.19 3.82 3.28 0.00 -1.26 -4.88 105.19 105.54 3jr2 n GLY 147 Ca 0.06 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 3jr2 n GLY 147 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3jr2 s TRP 148 N 0.00 3.45 0.28 1.61 0.52 -1.26 -4.78 118.94 118.75 3jr2 s TRP 148 Ca 0.00 1.54 0.09 0.00 0.02 0.00 0.00 56.10 57.75 3jr2 s TRP 148 Cb 0.00 -2.77 -0.06 0.00 -1.15 0.00 0.00 33.47 29.49 3jr2 s TRP 148 CO 0.00 0.05 -0.12 0.95 0.02 0.00 0.00 176.95 177.86 3jr2 s THR 149 N -1.94 1.99 0.15 2.01 -4.23 -1.26 -5.05 115.64 107.31 3jr2 s THR 149 Ca 0.56 -2.23 0.33 0.00 -1.18 0.00 0.00 61.69 59.17 3jr2 s THR 149 Cb -0.12 -2.37 0.38 0.00 1.34 0.00 0.00 72.50 71.73 3jr2 s THR 149 CO 0.17 -0.36 2.00 0.71 -0.54 0.00 0.00 174.62 176.60 3jr2 h THR 150 N 2.28 0.06 -0.48 3.99 1.35 -1.98 -2.30 112.91 115.83 3jr2 h THR 150 Ca -0.40 -0.53 -0.08 0.00 -0.55 0.00 0.00 66.41 64.85 3jr2 h THR 150 Cb 1.24 1.50 -0.02 0.00 -1.73 0.00 0.00 68.15 69.14 3jr2 h THR 150 CO 0.65 0.02 -0.03 -0.78 -0.25 0.00 0.00 175.52 175.13 3jr2 h ASP 151 N 0.00 0.86 -0.14 5.36 1.82 -1.98 0.19 116.42 122.52 3jr2 h ASP 151 Ca -0.00 -0.32 -0.02 0.00 -0.39 0.00 0.00 57.03 56.30 3jr2 h ASP 151 Cb 0.49 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 3jr2 h ASP 151 CO 0.00 0.97 0.02 0.44 -1.61 0.00 0.00 179.24 179.07 3jr2 h ASP 152 N 0.72 0.23 -0.79 2.28 3.32 -1.88 -2.17 116.42 118.13 3jr2 h ASP 152 Ca 0.13 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 3jr2 h ASP 152 Cb 0.55 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 3jr2 h ASP 152 CO 0.03 0.44 0.35 -0.07 -1.72 0.00 0.00 179.24 178.27 3jr2 h LEU 153 N 0.02 1.06 -0.51 1.55 -0.00 -1.14 -2.54 115.31 113.75 3jr2 h LEU 153 Ca 0.04 -0.15 -0.04 0.00 -0.00 0.00 0.00 57.88 57.73 3jr2 h LEU 153 Cb 0.31 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.67 3jr2 h LEU 153 CO 0.00 0.92 0.15 -0.78 -0.00 0.00 0.00 178.44 178.73 3jr2 h ASP 154 N 1.13 0.76 0.00 -0.43 3.58 -0.62 0.03 116.42 120.87 3jr2 h ASP 154 Ca 0.27 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.50 3jr2 h ASP 154 Cb 0.16 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.01 3jr2 h ASP 154 CO -0.03 0.77 0.00 0.29 -2.88 0.00 0.00 179.24 177.39 3jr2 n LYS 155 N -4.47 0.19 0.00 0.28 5.02 -0.82 -1.22 118.16 117.13 3jr2 n LYS 155 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3jr2 n LYS 155 Cb 0.21 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3jr2 n LYS 155 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jr2 n ARG 157 N 0.83 0.00 -0.13 1.97 1.74 -0.01 -1.01 116.66 120.05 3jr2 n ARG 157 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 3jr2 n ARG 157 Cb 0.09 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.53 3jr2 n ARG 157 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3jr2 h GLN 158 N 0.00 0.95 -0.25 5.56 4.20 -1.43 -1.51 115.11 122.63 3jr2 h GLN 158 Ca 0.00 -0.45 -0.03 0.00 0.06 0.00 0.00 58.65 58.23 3jr2 h GLN 158 Cb 0.00 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3jr2 h GLN 158 CO 0.00 1.11 0.05 -0.07 -0.67 0.00 0.00 178.83 179.25 3jr2 h LEU 159 N 0.79 0.38 -0.85 1.46 3.38 -1.34 -2.40 115.31 116.74 3jr2 h LEU 159 Ca 0.08 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 57.92 3jr2 h LEU 159 Cb 0.89 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 3jr2 h LEU 159 CO 0.08 0.53 0.48 -1.28 0.09 0.00 0.00 178.44 178.35 3jr2 h SER 160 N 0.22 0.67 0.66 -0.43 0.87 -1.65 -1.73 113.55 112.16 3jr2 h SER 160 Ca 0.08 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3jr2 h SER 160 Cb 0.31 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3jr2 h SER 160 CO 0.00 0.36 -0.15 0.00 -0.53 0.00 0.00 176.83 176.51 3jr2 h ALA 161 N 1.49 1.12 0.00 6.23 0.00 -0.80 0.15 119.26 127.44 3jr2 h ALA 161 Ca 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3jr2 h ALA 161 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3jr2 h ALA 161 CO -0.28 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.44 3jr2 n LEU 162 N -3.44 0.00 0.00 0.00 4.77 -0.69 -4.90 117.00 112.73 3jr2 n LEU 162 Ca -0.01 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3jr2 n LEU 162 Cb 0.32 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3jr2 n LEU 162 CO 0.31 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3jr2 n GLY 163 N 1.34 0.96 3.74 -0.72 0.00 0.04 -4.99 105.19 105.56 3jr2 n GLY 163 Ca 0.10 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3jr2 n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jr2 s ILE 164 N -2.00 5.14 -0.31 -0.61 1.01 -0.93 -4.80 121.20 118.70 3jr2 s ILE 164 Ca 0.00 0.99 -0.19 0.00 0.00 0.00 0.00 60.65 61.45 3jr2 s ILE 164 Cb 0.00 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 3jr2 s ILE 164 CO 0.00 0.35 0.56 -1.61 0.00 0.00 0.00 174.94 174.24 3jr2 s GLU 165 N 0.41 3.84 0.27 2.79 2.02 0.59 -3.91 118.70 124.72 3jr2 s GLU 165 Ca 0.27 0.14 -0.19 0.00 0.02 0.00 0.00 54.97 55.21 3jr2 s GLU 165 Cb -0.16 -3.74 -0.09 0.00 0.10 0.00 0.00 34.13 30.25 3jr2 s GLU 165 CO 0.11 -0.54 0.75 -0.51 0.02 0.00 0.00 175.26 175.10 3jr2 s LEU 166 N 2.46 4.24 -0.20 1.80 1.43 -0.59 -2.72 118.68 125.10 3jr2 s LEU 166 Ca 0.22 1.42 -0.05 0.00 -1.03 0.00 0.00 54.13 54.69 3jr2 s LEU 166 Cb -0.15 -3.81 -0.02 0.00 0.03 0.00 0.00 46.19 42.24 3jr2 s LEU 166 CO 0.12 -0.06 -0.00 -0.44 0.23 0.00 0.00 176.35 176.19 3jr2 s SER 167 N -1.86 4.83 -0.14 2.29 0.01 0.35 -0.00 113.70 119.18 3jr2 s SER 167 Ca 0.48 -0.20 -0.02 0.00 1.31 0.00 0.00 55.95 57.52 3jr2 s SER 167 Cb -0.15 -1.82 -0.02 0.00 0.21 0.00 0.00 66.02 64.24 3jr2 s SER 167 CO 0.20 0.07 -0.07 -0.63 0.41 0.00 0.00 173.24 173.22 3jr2 s ILE 168 N 0.98 3.65 0.09 1.44 1.01 -0.57 -0.69 121.20 127.11 3jr2 s ILE 168 Ca 0.01 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.07 3jr2 s ILE 168 Cb -0.14 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.78 3jr2 s ILE 168 CO 0.02 0.52 0.32 0.28 0.00 0.00 0.00 174.94 176.08 3jr2 s THR 169 N 0.19 0.09 0.00 2.92 -1.32 -0.80 -1.31 115.64 115.41 3jr2 s THR 169 Ca -0.04 -0.74 0.00 0.00 -1.21 0.00 0.00 61.69 59.70 3jr2 s THR 169 Cb -0.14 -1.13 0.00 0.00 -1.51 0.00 0.00 72.50 69.72 3jr2 s THR 169 CO 0.03 -0.41 0.00 0.61 -2.21 0.00 0.00 174.62 172.65 3jr2 n GLY 170 N 0.11 0.88 2.90 6.08 0.00 -1.26 -1.08 105.19 112.82 3jr2 n GLY 170 Ca -0.17 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 3jr2 n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jr2 n GLY 171 N 0.00 -0.38 3.71 -0.02 0.00 -1.26 -4.74 105.19 102.50 3jr2 n GLY 171 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3jr2 n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jr2 s ILE 172 N -3.12 2.63 0.08 -0.61 -1.09 -1.26 -5.01 121.20 112.81 3jr2 s ILE 172 Ca 0.28 0.38 0.02 0.00 -2.23 0.00 0.00 60.65 59.10 3jr2 s ILE 172 Cb -0.13 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 3jr2 s ILE 172 CO 0.35 0.02 -0.08 0.68 -1.23 0.00 0.00 174.94 174.69 3jr2 s VAL 173 N 1.53 0.66 0.28 2.92 -7.23 -1.26 -4.99 120.40 112.31 3jr2 s VAL 173 Ca 0.72 -1.56 -0.02 0.00 -1.81 0.00 0.00 61.98 59.31 3jr2 s VAL 173 Cb -0.44 -1.22 0.27 0.00 0.56 0.00 0.00 36.38 35.56 3jr2 s VAL 173 CO 0.32 -0.64 1.90 -0.65 -0.31 0.00 0.00 175.10 175.72 3jr2 h PRO 174 N 3.65 1.13 0.00 4.82 0.11 -1.91 -1.86 132.00 137.93 3jr2 h PRO 174 Ca -0.36 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3jr2 h PRO 174 Cb 1.18 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3jr2 h PRO 174 CO 0.54 0.75 0.00 1.05 -0.21 0.00 0.00 178.00 180.12 3jr2 h GLU 175 N 1.16 0.00 -0.01 1.05 9.09 -1.97 -2.09 114.58 121.81 3jr2 h GLU 175 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.81 3jr2 h GLU 175 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 3jr2 h GLU 175 CO -0.14 0.00 -0.41 -0.25 0.05 0.00 0.00 179.01 178.25 3jr2 n ASP 176 N -2.33 1.51 0.03 3.06 9.92 -0.70 -4.52 116.55 123.51 3jr2 n ASP 176 Ca 0.00 -1.19 -0.00 0.00 -0.53 0.00 0.00 54.79 53.07 3jr2 n ASP 176 Cb 0.14 0.36 0.30 0.00 -0.64 0.00 0.00 41.12 41.28 3jr2 n ASP 176 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3jr2 h ILE 177 N 1.73 1.20 -0.54 0.53 1.08 -1.40 -1.44 117.51 118.66 3jr2 h ILE 177 Ca 0.00 -0.85 0.16 0.00 -0.39 0.00 0.00 64.86 63.77 3jr2 h ILE 177 Cb 0.63 1.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 3jr2 h ILE 177 CO 0.00 0.28 0.48 0.10 -0.69 0.00 0.00 178.15 178.32 3jr2 h TYR 178 N 0.43 0.00 -0.21 1.37 -0.00 -1.79 -2.11 116.97 114.65 3jr2 h TYR 178 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 58.73 58.88 3jr2 h TYR 178 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.11 3jr2 h TYR 178 CO 0.01 0.00 0.17 -0.07 -0.00 0.00 0.00 178.16 178.27 3jr2 h LEU 179 N 0.00 0.00 -2.48 0.10 3.38 -1.59 -2.99 115.31 111.73 3jr2 h LEU 179 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3jr2 h LEU 179 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3jr2 h LEU 179 CO -0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 3jr2 n PHE 180 N -4.30 0.65 -1.62 1.13 3.72 -0.79 -4.98 117.46 111.27 3jr2 n PHE 180 Ca 0.02 -0.34 -0.46 0.00 -0.05 0.00 0.00 57.45 56.63 3jr2 n PHE 180 Cb 0.31 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 3jr2 n PHE 180 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3jr2 n GLU 181 N 1.51 1.57 -0.14 -1.08 2.13 -1.13 -1.57 120.64 121.94 3jr2 n GLU 181 Ca 0.21 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.58 3jr2 n GLU 181 Cb 0.60 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.24 3jr2 n GLU 181 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3jr2 n GLY 182 N 1.74 1.71 3.73 8.31 0.00 -1.26 -5.03 105.19 114.40 3jr2 n GLY 182 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3jr2 n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jr2 s ILE 183 N -2.79 5.32 -0.14 -0.61 1.01 -0.61 -5.02 121.20 118.37 3jr2 s ILE 183 Ca 0.00 0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.84 3jr2 s ILE 183 Cb 0.00 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 3jr2 s ILE 183 CO 0.00 0.40 1.74 -0.54 0.00 0.00 0.00 174.94 176.54 3jr2 s LYS 184 N 0.40 3.88 -0.09 2.79 1.02 -1.26 -4.95 119.74 121.52 3jr2 s LYS 184 Ca 0.15 1.98 0.00 0.00 0.02 0.00 0.00 55.97 58.12 3jr2 s LYS 184 Cb -0.13 -4.07 0.02 0.00 -0.52 0.00 0.00 37.83 33.13 3jr2 s LYS 184 CO 0.03 -1.21 -0.08 0.99 -0.92 0.00 0.00 175.35 174.16 3jr2 s THR 185 N 5.10 0.98 -0.12 2.17 2.01 -1.26 -1.55 115.64 122.97 3jr2 s THR 185 Ca 0.77 -0.30 -0.24 0.00 0.31 0.00 0.00 61.69 62.23 3jr2 s THR 185 Cb -0.30 -0.98 -0.27 0.00 0.01 0.00 0.00 72.50 70.96 3jr2 s THR 185 CO 0.31 0.35 0.70 0.50 -0.69 0.00 0.00 174.62 175.79 3jr2 h LYS 186 N 7.82 0.12 -3.72 4.92 1.63 -0.66 -3.27 116.57 123.42 3jr2 h LYS 186 Ca -0.30 -0.21 -0.10 0.00 -0.85 0.00 0.00 60.65 59.19 3jr2 h LYS 186 Cb 1.15 0.08 -0.16 0.00 -0.60 0.00 0.00 32.23 32.70 3jr2 h LYS 186 CO 0.42 1.10 -0.40 0.95 -3.45 0.00 0.00 179.45 178.07 3jr2 s THR 187 N -2.34 0.13 -0.10 1.00 -4.23 -1.20 -4.38 115.64 104.52 3jr2 s THR 187 Ca -0.19 -1.08 -0.02 0.00 -1.18 0.00 0.00 61.69 59.22 3jr2 s THR 187 Cb 0.00 -1.14 -0.03 0.00 1.34 0.00 0.00 72.50 72.68 3jr2 s THR 187 CO 0.73 -0.59 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.84 3jr2 s PHE 188 N -3.23 3.11 -0.09 3.99 0.40 -1.26 -1.51 117.98 119.39 3jr2 s PHE 188 Ca 0.00 0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.43 3jr2 s PHE 188 Cb 0.02 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.71 3jr2 s PHE 188 CO -0.08 0.33 -0.19 0.42 0.70 0.00 0.00 175.22 176.41 3jr2 s ILE 189 N -0.55 2.58 0.23 0.64 1.01 -0.43 -1.27 121.20 123.41 3jr2 s ILE 189 Ca 0.09 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 3jr2 s ILE 189 Cb -0.12 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 3jr2 s ILE 189 CO 0.02 0.56 0.24 0.00 0.00 0.00 0.00 174.94 175.76 3jr2 s ALA 190 N -0.03 0.96 0.00 9.38 0.00 -0.77 -4.40 121.76 126.91 3jr2 s ALA 190 Ca -0.06 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.33 3jr2 s ALA 190 Cb -0.15 1.32 0.00 0.00 0.00 0.00 0.00 23.12 24.30 3jr2 s ALA 190 CO 0.05 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.55 3jr2 n GLY 191 N -0.35 0.84 0.21 0.00 0.00 -1.26 -1.45 105.19 103.17 3jr2 n GLY 191 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3jr2 n GLY 191 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3jr2 h ARG 192 N 0.00 0.19 -0.33 1.61 3.08 -1.97 -1.81 114.38 115.15 3jr2 h ARG 192 Ca 0.00 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.08 3jr2 h ARG 192 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3jr2 h ARG 192 CO 0.00 0.49 0.35 0.00 -1.07 0.00 0.00 179.97 179.74 3jr2 h ALA 193 N 1.51 2.03 -0.01 0.04 0.00 -1.96 -1.79 119.26 119.09 3jr2 h ALA 193 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3jr2 h ALA 193 Cb 0.65 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3jr2 h ALA 193 CO 0.05 -0.52 -0.55 1.28 0.00 0.00 0.00 179.25 179.51 3jr2 n LEU 194 N -3.80 1.23 0.00 0.00 4.77 -0.68 -4.14 117.00 114.37 3jr2 n LEU 194 Ca 0.05 -0.42 -0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3jr2 n LEU 194 Cb 0.51 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3jr2 n LEU 194 CO 0.28 0.25 0.00 0.00 -1.33 0.00 0.00 177.39 176.59 3jr2 n ALA 195 N -0.83 0.01 -0.94 -1.18 0.00 -0.67 -4.35 120.51 112.55 3jr2 n ALA 195 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3jr2 n ALA 195 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.83 3jr2 n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jr2 n GLY 196 N 4.93 1.08 0.21 0.00 0.00 -1.26 -2.09 105.19 108.05 3jr2 n GLY 196 Ca 0.00 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 3jr2 n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jr2 h ALA 197 N -0.94 0.19 -0.24 4.61 0.00 -1.96 -3.27 119.26 117.65 3jr2 h ALA 197 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3jr2 h ALA 197 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3jr2 h ALA 197 CO 0.00 0.68 0.00 0.39 0.00 0.00 0.00 179.25 180.32 3jr2 n GLU 198 N -3.89 2.20 -0.11 0.00 1.02 -1.25 -4.50 120.64 114.09 3jr2 n GLU 198 Ca -0.10 -2.02 -0.09 0.00 -0.02 0.00 0.00 57.16 54.93 3jr2 n GLU 198 Cb 0.83 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 30.80 3jr2 n GLU 198 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3jr2 h GLY 199 N 4.01 0.54 0.88 0.62 0.00 -1.47 -0.78 103.07 106.87 3jr2 h GLY 199 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.09 3jr2 h GLY 199 CO 0.00 0.26 0.41 -1.61 0.00 0.00 0.00 176.54 175.59 3jr2 h GLN 200 N 0.42 0.78 -0.26 4.80 4.15 -1.79 0.24 115.11 123.46 3jr2 h GLN 200 Ca 0.12 -0.05 -0.18 0.00 0.77 0.00 0.00 58.65 59.31 3jr2 h GLN 200 Cb 0.13 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 3jr2 h GLN 200 CO -0.01 0.52 -0.55 0.37 -1.93 0.00 0.00 178.83 177.22 3jr2 h GLN 201 N 0.81 0.79 -0.30 1.69 4.15 -1.78 -1.59 115.11 118.87 3jr2 h GLN 201 Ca 0.26 -0.50 -0.00 0.00 0.77 0.00 0.00 58.65 59.18 3jr2 h GLN 201 Cb 0.01 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 3jr2 h GLN 201 CO -0.10 1.13 0.17 1.15 -1.93 0.00 0.00 178.83 179.25 3jr2 h THR 202 N 0.60 1.12 -0.90 2.39 2.02 -0.77 -1.50 112.91 115.88 3jr2 h THR 202 Ca 0.01 -0.31 0.10 0.00 0.77 0.00 0.00 66.41 66.98 3jr2 h THR 202 Cb 1.14 0.78 -0.08 0.00 -1.74 0.00 0.00 68.15 68.25 3jr2 h THR 202 CO 0.12 0.12 0.54 0.00 0.37 0.00 0.00 175.52 176.67 3jr2 h ALA 203 N 1.05 1.30 -0.11 6.16 0.00 -0.81 -0.38 119.26 126.47 3jr2 h ALA 203 Ca 0.11 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3jr2 h ALA 203 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3jr2 h ALA 203 CO -0.02 0.18 0.03 0.00 0.00 0.00 0.00 179.25 179.44 3jr2 h ALA 204 N 1.48 0.12 -0.53 0.00 0.00 -0.86 -0.10 119.26 119.36 3jr2 h ALA 204 Ca 0.43 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 3jr2 h ALA 204 Cb 0.38 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3jr2 h ALA 204 CO -0.24 -0.42 0.17 0.00 0.00 0.00 0.00 179.25 178.75 3jr2 h ALA 205 N 1.07 0.70 -0.48 0.00 0.00 -0.80 -1.97 119.26 117.78 3jr2 h ALA 205 Ca 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3jr2 h ALA 205 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3jr2 h ALA 205 CO -0.05 0.35 0.31 -0.07 0.00 0.00 0.00 179.25 179.80 3jr2 h LEU 206 N 0.73 0.54 -1.15 0.00 3.38 -0.90 -1.11 115.31 116.80 3jr2 h LEU 206 Ca 0.17 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3jr2 h LEU 206 Cb 0.28 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3jr2 h LEU 206 CO -0.01 0.39 0.01 0.03 0.09 0.00 0.00 178.44 178.96 3jr2 h ARG 207 N 0.64 0.60 -0.34 1.13 3.08 -0.68 -0.03 114.38 118.78 3jr2 h ARG 207 Ca 0.18 -0.13 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 3jr2 h ARG 207 Cb -0.07 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 3jr2 h ARG 207 CO -0.04 0.62 -0.41 0.93 -1.07 0.00 0.00 179.97 179.99 3jr2 h GLU 208 N 0.58 0.87 -0.78 0.04 5.08 -0.98 -0.97 114.58 118.42 3jr2 h GLU 208 Ca 0.12 -0.49 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 3jr2 h GLU 208 Cb 0.35 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3jr2 h GLU 208 CO 0.01 1.13 0.29 1.96 -1.00 0.00 0.00 179.01 181.40 3jr2 h GLN 209 N 0.67 1.18 -0.47 2.33 1.08 -0.91 -2.24 115.11 116.75 3jr2 h GLN 209 Ca 0.04 -0.23 0.01 0.00 -1.45 0.00 0.00 58.65 57.02 3jr2 h GLN 209 Cb 1.01 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.23 3jr2 h GLN 209 CO 0.10 0.97 0.31 0.82 -0.95 0.00 0.00 178.83 180.07 3jr2 h ILE 210 N 1.14 1.12 0.00 2.54 2.04 -0.72 -2.20 117.51 121.42 3jr2 h ILE 210 Ca 0.26 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3jr2 h ILE 210 Cb 0.25 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3jr2 h ILE 210 CO -0.02 0.11 -0.06 0.44 0.00 0.00 0.00 178.15 178.63 3jr2 h ASP 211 N 0.63 0.00 0.82 1.72 3.32 -0.88 -0.88 116.42 121.14 3jr2 h ASP 211 Ca 0.17 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.07 3jr2 h ASP 211 Cb -0.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3jr2 h ASP 211 CO -0.04 0.06 -0.70 -0.09 -1.72 0.00 0.00 179.24 176.75 3jr2 h ARG 212 N 0.00 0.00 0.00 3.56 2.43 -0.80 -3.38 114.38 116.19 3jr2 h ARG 212 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3jr2 h ARG 212 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3jr2 h ARG 212 CO 0.01 0.70 -0.54 1.19 -1.51 0.00 0.00 179.97 179.82 3jr2 n PHE 213 N -3.59 0.00 -4.18 2.20 3.72 -0.78 -5.04 117.46 109.79 3jr2 n PHE 213 Ca -0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 3jr2 n PHE 213 Cb 0.71 -0.03 -0.12 0.00 -0.94 0.00 0.00 39.48 39.10 3jr2 n PHE 213 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3jr2 s TRP 214 N -1.69 1.24 -2.00 1.38 0.51 -0.40 -4.65 118.94 113.33 3jr2 s TRP 214 Ca 0.00 -0.46 0.22 0.00 -2.12 0.00 0.00 56.10 53.75 3jr2 s TRP 214 Cb 0.03 -0.70 1.31 0.00 -0.81 0.00 0.00 33.47 33.30 3jr2 s TRP 214 CO 0.16 0.06 1.68 -2.30 -0.51 0.00 0.00 176.95 176.05