#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3j n LEU 46 N 0.00 1.71 -3.70 0.99 -0.00 -1.26 -4.64 117.00 110.10 2k3j n LEU 46 Ca 0.00 -0.84 -0.11 0.00 -0.00 0.00 0.00 56.01 55.06 2k3j n LEU 46 Cb 0.00 -0.30 -0.12 0.00 -0.00 0.00 0.00 43.42 43.00 2k3j n LEU 46 CO 0.00 0.29 -0.03 -0.63 -0.00 0.00 0.00 177.39 177.03 2k3j s ILE 47 N 0.56 -0.13 0.38 1.47 -1.09 -1.26 -4.68 121.20 116.45 2k3j s ILE 47 Ca 0.00 0.14 -0.19 0.00 -2.23 0.00 0.00 60.65 58.37 2k3j s ILE 47 Cb 0.00 -0.52 -0.10 0.00 -1.58 0.00 0.00 42.46 40.26 2k3j s ILE 47 CO 0.00 0.06 0.86 -0.76 -1.23 0.00 0.00 174.94 173.87 2k3j s LEU 48 N 1.57 4.01 0.00 2.97 1.43 0.41 -4.98 118.68 124.08 2k3j s LEU 48 Ca -0.08 1.53 0.15 0.00 -1.03 0.00 0.00 54.13 54.70 2k3j s LEU 48 Cb -0.10 -4.33 0.84 0.00 0.03 0.00 0.00 46.19 42.64 2k3j s LEU 48 CO -0.11 -0.28 1.36 -0.81 0.23 0.00 0.00 176.35 176.74 2k3j n PRO 49 N -0.48 0.37 0.04 1.29 -0.04 -1.26 -1.54 135.00 133.38 2k3j n PRO 49 Ca 0.05 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 2k3j n PRO 49 Cb 0.54 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.56 2k3j n PRO 49 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2k3j n ASN 50 N -1.12 0.64 0.00 3.54 6.94 -1.26 -5.00 115.26 119.00 2k3j n ASN 50 Ca 0.10 -0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 2k3j n ASN 50 Cb 0.08 0.60 0.00 0.00 -2.36 0.00 0.00 39.78 38.09 2k3j n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k3j n GLY 51 N 1.34 1.13 3.78 4.83 0.00 -0.59 -5.13 105.19 110.55 2k3j n GLY 51 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2k3j n GLY 51 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k3j s ASN 52 N -1.27 4.73 0.18 1.61 -0.87 -1.26 -4.70 114.94 113.36 2k3j s ASN 52 Ca 0.00 1.82 0.23 0.00 -1.57 0.00 0.00 52.86 53.34 2k3j s ASN 52 Cb 0.00 -2.52 0.19 0.00 -0.02 0.00 0.00 41.25 38.90 2k3j s ASN 52 CO 0.00 -1.88 1.22 0.40 -2.57 0.00 0.00 177.10 174.27 2k3j h ILE 53 N -0.89 0.00 -2.70 0.60 2.04 -1.91 0.12 117.51 114.76 2k3j h ILE 53 Ca -0.44 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2k3j h ILE 53 Cb 1.23 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2k3j h ILE 53 CO 0.53 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 175.48 2k3j n ASN 54 N -2.43 -1.80 0.00 1.72 2.85 -1.26 -4.11 115.26 110.22 2k3j n ASN 54 Ca 0.02 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.56 2k3j n ASN 54 Cb 0.49 -0.90 0.42 0.00 1.24 0.00 0.00 39.78 41.04 2k3j n ASN 54 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2k3j n TRP 55 N -0.64 0.00 0.88 1.20 5.03 -1.26 -2.60 117.44 120.06 2k3j n TRP 55 Ca 0.00 0.00 0.12 0.00 3.03 0.00 0.00 57.50 60.65 2k3j n TRP 55 Cb 0.19 0.00 0.15 0.00 -1.03 0.00 0.00 31.31 30.62 2k3j n TRP 55 CO 0.00 0.00 0.00 -1.71 -0.03 0.00 0.00 177.69 175.95 2k3j n ASN 56 N -0.86 0.61 -4.67 -0.99 4.05 -1.26 -4.30 115.26 107.84 2k3j n ASN 56 Ca 0.11 -0.31 -0.39 0.00 0.45 0.00 0.00 54.58 54.44 2k3j n ASN 56 Cb 0.05 0.44 0.04 0.00 1.23 0.00 0.00 39.78 41.54 2k3j n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k3j h PRO 58 N 1.09 -1.04 0.34 0.00 0.13 -1.92 -0.98 132.00 129.62 2k3j h PRO 58 Ca -0.49 0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 2k3j h PRO 58 Cb 1.33 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.70 2k3j h PRO 58 CO 0.55 -0.69 -0.16 0.00 -0.23 0.00 0.00 178.00 177.46 2k3j h LEU 60 N -0.86 1.01 -0.36 0.00 5.85 -1.93 -0.02 115.31 119.00 2k3j h LEU 60 Ca -0.05 -0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.47 2k3j h LEU 60 Cb 0.35 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 2k3j h LEU 60 CO 0.08 0.69 -0.76 1.23 -0.34 0.00 0.00 178.44 179.34 2k3j h GLY 61 N 1.17 0.49 0.98 3.75 0.00 -1.31 -2.25 103.07 105.89 2k3j h GLY 61 Ca 0.36 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2k3j h GLY 61 CO -0.11 0.63 -0.02 -1.33 0.00 0.00 0.00 176.54 175.71 2k3j h GLY 62 N 1.21 -0.04 1.58 4.60 0.00 -0.42 -2.05 103.07 107.95 2k3j h GLY 62 Ca -0.04 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.34 2k3j h GLY 62 CO 0.13 -0.02 0.21 -0.33 0.00 0.00 0.00 176.54 176.54 2k3j h MET 63 N -0.04 0.30 0.00 4.80 2.07 -1.06 -0.58 114.93 120.41 2k3j h MET 63 Ca -0.00 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2k3j h MET 63 Cb 0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.70 2k3j h MET 63 CO -0.00 0.20 0.00 0.00 1.07 0.00 0.00 176.91 178.17 2k3j n ALA 64 N -2.52 2.37 -0.55 6.32 0.00 -0.85 -4.14 120.51 121.14 2k3j n ALA 64 Ca 0.03 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.44 2k3j n ALA 64 Cb 0.17 -1.45 0.33 0.00 0.00 0.00 0.00 19.45 18.49 2k3j n ALA 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k3j n SER 65 N -1.32 4.40 -4.78 0.00 7.64 -0.23 -4.42 113.62 114.91 2k3j n SER 65 Ca 0.12 -2.34 -0.23 0.00 1.01 0.00 0.00 58.87 57.43 2k3j n SER 65 Cb 0.24 -0.53 0.09 0.00 -1.01 0.00 0.00 64.21 63.00 2k3j n SER 65 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2k3j s GLY 66 N -0.99 1.77 0.18 0.23 0.00 -1.25 -4.95 107.32 102.30 2k3j s GLY 66 Ca 0.48 -1.69 -0.13 0.00 0.00 0.00 0.00 44.72 43.38 2k3j s GLY 66 CO 0.25 -1.20 1.82 -0.56 0.00 0.00 0.00 173.10 173.41 2k3j h PRO 67 N -0.32 0.81 0.00 2.90 0.13 -1.94 -0.15 132.00 133.43 2k3j h PRO 67 Ca -0.37 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k3j h PRO 67 Cb 1.28 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2k3j h PRO 67 CO 0.43 0.58 0.00 0.00 -0.23 0.00 0.00 178.00 178.78 2k3j h GLY 69 N 2.27 0.65 2.00 0.00 0.00 -1.22 -1.25 103.07 105.53 2k3j h GLY 69 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 2k3j h GLY 69 CO 0.00 0.15 -0.29 -2.09 0.00 0.00 0.00 176.54 174.31 2k3j h GLU 70 N 0.51 0.00 -0.05 4.80 4.81 -1.77 0.29 114.58 123.16 2k3j h GLU 70 Ca 0.25 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.28 2k3j h GLU 70 Cb 0.33 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 2k3j h GLU 70 CO -0.07 0.29 -0.83 1.96 -0.73 0.00 0.00 179.01 179.63 2k3j h GLN 71 N 0.00 0.45 -0.39 1.92 1.08 -1.54 -0.84 115.11 115.78 2k3j h GLN 71 Ca -0.00 -0.41 -0.15 0.00 -1.45 0.00 0.00 58.65 56.64 2k3j h GLN 71 Cb 0.56 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 2k3j h GLN 71 CO 0.04 1.06 -0.33 0.35 -0.95 0.00 0.00 178.83 178.99 2k3j h PHE 72 N 0.28 1.06 -0.14 2.96 3.57 -1.24 0.08 116.94 123.52 2k3j h PHE 72 Ca -0.05 -0.30 0.03 0.00 3.53 0.00 0.00 57.97 61.18 2k3j h PHE 72 Cb 1.43 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 2k3j h PHE 72 CO 0.06 1.10 -0.05 0.87 -2.23 0.00 0.00 178.31 178.06 2k3j h LYS 73 N 0.75 -0.02 -0.57 1.11 1.57 -0.91 -1.15 116.57 117.35 2k3j h LYS 73 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2k3j h LYS 73 Cb 0.91 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 2k3j h LYS 73 CO 0.08 -0.01 0.30 1.03 -0.57 0.00 0.00 179.45 180.28 2k3j h SER 74 N -0.02 0.73 -0.04 0.86 0.87 -0.97 0.32 113.55 115.30 2k3j h SER 74 Ca 0.07 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2k3j h SER 74 Cb 0.13 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2k3j h SER 74 CO -0.16 0.62 0.02 0.00 -0.53 0.00 0.00 176.83 176.78 2k3j h ALA 75 N 1.13 0.05 -0.16 6.23 0.00 -0.85 0.74 119.26 126.41 2k3j h ALA 75 Ca 0.20 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2k3j h ALA 75 Cb 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2k3j h ALA 75 CO -0.03 -0.36 -0.39 0.35 0.00 0.00 0.00 179.25 178.82 2k3j h PHE 76 N -0.10 0.41 0.82 0.00 3.04 -1.16 -1.00 116.94 118.94 2k3j h PHE 76 Ca 0.01 -0.11 -0.04 0.00 3.98 0.00 0.00 57.97 61.82 2k3j h PHE 76 Cb 0.18 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.60 2k3j h PHE 76 CO -0.02 0.69 -0.42 1.03 -2.02 0.00 0.00 178.31 177.58 2k3j h SER 77 N 0.29 -1.02 -0.06 0.41 0.87 -0.82 -1.86 113.55 111.36 2k3j h SER 77 Ca 0.03 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2k3j h SER 77 Cb 0.83 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2k3j h SER 77 CO 0.07 -0.70 0.02 0.00 -0.53 0.00 0.00 176.83 175.69 2k3j h PHE 79 N 0.16 -0.48 -0.57 0.00 3.57 -1.19 -2.80 116.94 115.62 2k3j h PHE 79 Ca 0.04 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.57 2k3j h PHE 79 Cb 0.09 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 2k3j h PHE 79 CO 0.00 -0.17 0.32 1.25 -2.23 0.00 0.00 178.31 177.47 2k3j h HIS 80 N -1.00 0.58 0.00 0.41 2.76 -1.04 -2.08 115.15 114.78 2k3j h HIS 80 Ca -0.05 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2k3j h HIS 80 Cb 0.53 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.31 2k3j h HIS 80 CO 0.02 0.30 0.00 0.66 -1.30 0.00 0.00 177.93 177.61 2k3j n TYR 81 N -4.82 0.00 0.13 5.26 4.02 0.12 -1.31 117.16 120.56 2k3j n TYR 81 Ca 0.06 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.00 2k3j n TYR 81 Cb 0.13 -0.34 0.03 0.00 -0.02 0.00 0.00 39.34 39.15 2k3j n TYR 81 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2k3j h SER 82 N 0.00 0.00 -2.81 7.72 0.02 -1.09 -3.48 113.55 113.92 2k3j h SER 82 Ca 0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 2k3j h SER 82 Cb 0.19 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 2k3j h SER 82 CO 0.00 0.36 -0.27 0.35 -1.14 0.00 0.00 176.83 176.13 2k3j n THR 83 N -3.09 -0.32 -2.50 -2.27 -2.24 -0.43 -4.95 114.28 98.49 2k3j n THR 83 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.74 2k3j n THR 83 Cb 0.69 -1.46 0.02 0.00 -2.10 0.00 0.00 70.33 67.49 2k3j n THR 83 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k3j n GLU 84 N -2.36 0.58 0.04 -0.78 -0.58 -1.26 -5.08 120.64 111.21 2k3j n GLU 84 Ca -0.13 -0.58 0.07 0.00 -0.42 0.00 0.00 57.16 56.10 2k3j n GLU 84 Cb 0.51 -0.11 -0.08 0.00 -0.57 0.00 0.00 31.44 31.18 2k3j n GLU 84 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2k3j n GLU 85 N -1.35 0.63 -4.62 3.49 2.13 -1.26 -4.97 120.64 114.69 2k3j n GLU 85 Ca 0.03 0.03 -0.22 0.00 0.66 0.00 0.00 57.16 57.67 2k3j n GLU 85 Cb 0.12 -1.70 -0.15 0.00 0.27 0.00 0.00 31.44 29.98 2k3j n GLU 85 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2k3j s ILE 86 N -3.25 1.08 -0.79 6.31 1.09 -1.26 -5.08 121.20 119.31 2k3j s ILE 86 Ca -0.04 -0.58 -0.23 0.00 -1.10 0.00 0.00 60.65 58.70 2k3j s ILE 86 Cb 0.10 -0.90 -0.18 0.00 -1.06 0.00 0.00 42.46 40.42 2k3j s ILE 86 CO 0.84 0.31 2.40 0.29 -0.10 0.00 0.00 174.94 178.67 2k3j n LYS 87 N 2.81 0.49 -0.29 2.79 5.02 -1.26 -1.60 118.16 126.12 2k3j n LYS 87 Ca -0.15 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 2k3j n LYS 87 Cb 0.55 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 32.77 2k3j n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3j n GLY 88 N 6.30 0.84 0.29 0.72 0.00 -1.26 -4.98 105.19 107.10 2k3j n GLY 88 Ca 0.51 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.48 2k3j n GLY 88 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k3j h SER 89 N 0.00 0.00 -0.05 1.61 4.64 -1.69 0.07 113.55 118.13 2k3j h SER 89 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2k3j h SER 89 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2k3j h SER 89 CO 0.00 0.00 -0.26 -0.67 -0.87 0.00 0.00 176.83 175.03 2k3j n ASP 90 N -4.38 2.12 -0.68 4.97 -0.08 -1.26 -4.70 116.55 112.54 2k3j n ASP 90 Ca -0.01 -3.58 0.00 0.00 -1.51 0.00 0.00 54.79 49.69 2k3j n ASP 90 Cb 0.19 -0.51 -0.00 0.00 2.34 0.00 0.00 41.12 43.14 2k3j n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k3j h VAL 92 N 6.30 0.95 -0.77 0.00 2.07 -1.48 -1.59 116.25 121.73 2k3j h VAL 92 Ca -0.08 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.42 2k3j h VAL 92 Cb 1.36 0.55 -0.12 0.00 -1.52 0.00 0.00 31.29 31.55 2k3j h VAL 92 CO -0.01 0.07 -0.45 -0.78 0.02 0.00 0.00 177.57 176.42 2k3j h ASP 93 N 0.37 -1.61 -0.61 0.57 1.82 -1.94 -0.82 116.42 114.20 2k3j h ASP 93 Ca 0.21 0.28 0.01 0.00 -0.39 0.00 0.00 57.03 57.14 2k3j h ASP 93 Cb 0.36 0.76 -0.03 0.00 0.68 0.00 0.00 39.33 41.09 2k3j h ASP 93 CO -0.05 -0.30 0.40 1.56 -1.61 0.00 0.00 179.24 179.24 2k3j h GLN 94 N -0.12 0.80 -0.08 0.28 7.50 -1.68 0.10 115.11 121.91 2k3j h GLN 94 Ca 0.22 -0.05 -0.11 0.00 0.50 0.00 0.00 58.65 59.21 2k3j h GLN 94 Cb 0.54 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.88 2k3j h GLN 94 CO -0.82 0.53 -0.47 0.74 -1.50 0.00 0.00 178.83 177.31 2k3j h PHE 95 N 0.82 0.22 -0.24 2.96 -1.00 -1.50 0.66 116.94 118.87 2k3j h PHE 95 Ca 0.22 -0.07 -0.09 0.00 2.81 0.00 0.00 57.97 60.85 2k3j h PHE 95 Cb -0.09 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.42 2k3j h PHE 95 CO -0.03 0.62 -0.21 -0.09 -1.61 0.00 0.00 178.31 176.99 2k3j h ARG 96 N 0.15 0.56 -0.56 1.51 2.43 -0.73 -1.86 114.38 115.89 2k3j h ARG 96 Ca 0.01 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 2k3j h ARG 96 Cb 0.89 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 2k3j h ARG 96 CO 0.07 0.87 0.32 0.00 -1.51 0.00 0.00 179.97 179.72 2k3j h ALA 97 N 0.68 0.71 -0.32 2.80 0.00 -0.65 0.90 119.26 123.39 2k3j h ALA 97 Ca 0.04 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2k3j h ALA 97 Cb 0.76 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2k3j h ALA 97 CO 0.05 0.22 0.01 1.98 0.00 0.00 0.00 179.25 181.51 2k3j h MET 98 N 0.75 0.10 -0.09 0.00 1.85 -0.86 -1.25 114.93 115.43 2k3j h MET 98 Ca 0.20 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.27 2k3j h MET 98 Cb 0.02 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.02 2k3j h MET 98 CO -0.03 0.07 -0.00 0.37 -0.40 0.00 0.00 176.91 176.91 2k3j h GLN 99 N 0.10 0.16 -0.47 0.39 4.15 -0.81 -0.58 115.11 118.06 2k3j h GLN 99 Ca 0.16 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 2k3j h GLN 99 Cb 0.20 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2k3j h GLN 99 CO -0.25 0.43 0.14 1.05 -1.93 0.00 0.00 178.83 178.27 2k3j h GLU 100 N -0.12 0.69 -0.29 1.69 -0.00 -0.78 -1.49 114.58 114.27 2k3j h GLU 100 Ca 0.03 -0.11 -0.04 0.00 -0.00 0.00 0.00 59.36 59.23 2k3j h GLU 100 Cb 0.36 -0.12 -0.01 0.00 -0.00 0.00 0.00 28.75 28.98 2k3j h GLU 100 CO 0.01 0.61 0.01 0.00 -0.00 0.00 0.00 179.01 179.63 2k3j h MET 102 N 0.30 0.00 0.00 0.00 2.86 -0.19 0.10 114.93 118.00 2k3j h MET 102 Ca 0.08 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 2k3j h MET 102 Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2k3j h MET 102 CO 0.01 0.00 -0.83 -0.56 1.06 0.00 0.00 176.91 176.59 2k3j h GLN 103 N 0.00 0.00 0.00 1.72 3.07 -1.31 -3.28 115.11 115.31 2k3j h GLN 103 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.59 2k3j h GLN 103 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.95 2k3j h GLN 103 CO 0.00 0.19 -0.71 0.87 0.09 0.00 0.00 178.83 179.28 2k3j h LYS 104 N 0.00 0.00 -2.80 0.06 1.79 -0.85 -3.41 116.57 111.36 2k3j h LYS 104 Ca -0.05 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.83 2k3j h LYS 104 Cb 1.25 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.51 2k3j h LYS 104 CO 0.03 0.71 -0.80 0.71 -1.08 0.00 0.00 179.45 179.02 2k3j s TYR 105 N -2.95 1.24 -0.03 -1.35 2.02 -0.12 -5.06 117.35 111.10 2k3j s TYR 105 Ca 0.02 -1.91 -0.02 0.00 -0.37 0.00 0.00 57.07 54.79 2k3j s TYR 105 Cb 0.09 -1.34 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 2k3j s TYR 105 CO 0.77 -0.81 0.16 -1.00 -1.57 0.00 0.00 175.55 173.10 2k3j h PRO 106 N 7.03 -0.07 -2.44 -1.71 0.13 -1.81 -3.41 132.00 129.71 2k3j h PRO 106 Ca 0.01 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.86 2k3j h PRO 106 Cb 0.96 0.02 -0.35 0.00 0.13 0.00 0.00 31.00 31.76 2k3j h PRO 106 CO 0.37 -0.05 -0.60 -0.51 -0.23 0.00 0.00 178.00 176.98 2k3j s ASP 107 N -3.94 1.13 0.00 1.44 1.01 -1.26 -4.94 116.67 110.11 2k3j s ASP 107 Ca -0.01 -0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.14 2k3j s ASP 107 Cb 0.00 0.52 0.00 0.00 1.01 0.00 0.00 42.92 44.45 2k3j s ASP 107 CO 0.03 -0.32 0.01 0.00 0.21 0.00 0.00 175.17 175.11 2k3j n LEU 108 N 5.33 0.00 0.00 1.23 -0.00 -1.26 -5.27 117.00 117.03 2k3j n LEU 108 Ca -0.05 -0.03 0.02 0.00 -0.00 0.00 0.00 56.01 55.95 2k3j n LEU 108 Cb 0.50 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 44.03 2k3j n LEU 108 CO 0.08 0.46 0.35 -1.22 -0.00 0.00 0.00 177.39 177.05