#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 0.00 -4.48 0.99 7.94 -1.26 -5.09 117.00 115.10 2k3j n LEU 46 Ca 0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.58 2k3j n LEU 46 Cb 0.00 0.01 -0.13 0.00 0.53 0.00 0.00 43.42 43.84 2k3j n LEU 46 CO 0.00 -0.01 -0.46 -0.63 -1.11 0.00 0.00 177.39 175.18 2k3j s ILE 47 N -1.04 3.04 0.67 1.96 -1.09 -1.26 -0.91 121.20 122.58 2k3j s ILE 47 Ca 0.00 -0.88 -0.11 0.00 -2.23 0.00 0.00 60.65 57.43 2k3j s ILE 47 Cb 0.00 -2.24 -0.01 0.00 -1.58 0.00 0.00 42.46 38.64 2k3j s ILE 47 CO 0.00 0.49 1.05 -0.76 -1.23 0.00 0.00 174.94 174.49 2k3j s LEU 48 N -1.04 3.14 0.00 2.97 1.43 0.35 -4.76 118.68 120.76 2k3j s LEU 48 Ca 0.13 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 2k3j s LEU 48 Cb -0.11 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.66 2k3j s LEU 48 CO 0.03 -1.26 0.37 -0.81 0.23 0.00 0.00 176.35 174.91 2k3j n PRO 49 N -3.01 0.44 0.00 1.29 -0.04 -1.26 -1.48 135.00 130.95 2k3j n PRO 49 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2k3j n PRO 49 Cb 0.54 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.25 0.93 0.00 3.54 0.23 -1.26 -5.05 115.26 113.39 2k3j n ASN 50 Ca 0.00 -1.18 0.00 0.00 -0.53 0.00 0.00 54.58 52.87 2k3j n ASN 50 Cb 0.04 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 2k3j n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k3j n GLY 51 N -0.09 2.66 3.76 4.83 0.00 -0.55 -5.08 105.19 110.72 2k3j n GLY 51 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2k3j n GLY 51 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k3j s ASN 52 N -1.25 4.61 0.16 1.61 2.47 -1.26 -4.75 114.94 116.54 2k3j s ASN 52 Ca 0.00 1.99 -0.30 0.00 0.42 0.00 0.00 52.86 54.97 2k3j s ASN 52 Cb 0.00 -2.55 -0.07 0.00 -1.45 0.00 0.00 41.25 37.18 2k3j s ASN 52 CO 0.00 -1.97 1.14 -0.63 -3.72 0.00 0.00 177.10 171.93 2k3j s ILE 53 N -2.53 3.81 -0.91 -5.21 1.01 -1.26 -0.50 121.20 115.61 2k3j s ILE 53 Ca 0.66 1.50 -0.25 0.00 0.00 0.00 0.00 60.65 62.56 2k3j s ILE 53 Cb -0.20 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 2k3j s ILE 53 CO 0.49 0.23 1.99 0.21 0.00 0.00 0.00 174.94 177.86 2k3j s ASN 54 N 0.14 5.00 0.00 3.58 2.47 -0.09 -4.77 114.94 121.27 2k3j s ASN 54 Ca 0.52 -0.67 0.02 0.00 0.42 0.00 0.00 52.86 53.15 2k3j s ASN 54 Cb -0.30 -2.56 0.11 0.00 -1.45 0.00 0.00 41.25 37.05 2k3j s ASN 54 CO 0.35 -2.90 0.55 0.79 -3.72 0.00 0.00 177.10 172.17 2k3j n TRP 55 N 14.52 0.00 0.76 0.43 5.03 -1.26 -3.05 117.44 133.86 2k3j n TRP 55 Ca 0.41 0.00 0.11 0.00 3.03 0.00 0.00 57.50 61.06 2k3j n TRP 55 Cb 0.47 0.00 0.09 0.00 -1.03 0.00 0.00 31.31 30.83 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 -0.57 0.64 -4.74 -0.99 4.05 -1.26 -4.22 115.26 108.17 2k3j n ASN 56 Ca 0.01 -0.29 -0.41 0.00 0.45 0.00 0.00 54.58 54.34 2k3j n ASN 56 Cb 0.01 0.59 -0.02 0.00 1.23 0.00 0.00 39.78 41.58 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 5.15 -0.15 0.50 0.00 0.13 -1.94 0.18 132.00 135.87 2k3j h PRO 58 Ca -0.46 0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2k3j h PRO 58 Cb 1.22 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k3j h PRO 58 CO 0.80 -0.10 -0.24 0.00 -0.23 0.00 0.00 178.00 178.23 2k3j h LEU 60 N -1.17 0.95 0.22 0.00 5.85 -1.94 -1.39 115.31 117.83 2k3j h LEU 60 Ca -0.07 -0.09 -0.34 0.00 0.84 0.00 0.00 57.88 58.22 2k3j h LEU 60 Cb 0.51 -0.24 0.02 0.00 0.37 0.00 0.00 40.66 41.32 2k3j h LEU 60 CO 0.11 0.78 -1.61 1.23 -0.34 0.00 0.00 178.44 178.62 2k3j h GLY 61 N 1.10 0.53 0.94 3.75 0.00 -0.78 -2.41 103.07 106.19 2k3j h GLY 61 Ca 0.26 -1.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.22 2k3j h GLY 61 CO -0.04 1.18 0.15 -1.33 0.00 0.00 0.00 176.54 176.50 2k3j h GLY 62 N 0.49 0.66 2.00 4.60 0.00 -1.48 -2.64 103.07 106.71 2k3j h GLY 62 Ca -0.30 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 2k3j h GLY 62 CO 0.23 0.35 -0.03 1.98 0.00 0.00 0.00 176.54 179.06 2k3j h MET 63 N 0.51 0.00 -0.78 4.80 1.85 -1.34 -2.02 114.93 117.94 2k3j h MET 63 Ca 0.13 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.18 2k3j h MET 63 Cb 0.22 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.22 2k3j h MET 63 CO -0.01 0.03 0.05 0.00 -0.40 0.00 0.00 176.91 176.59 2k3j n ALA 64 N -2.12 3.49 -2.36 0.39 0.00 -0.91 -4.58 120.51 114.42 2k3j n ALA 64 Ca -0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 53.44 51.98 2k3j n ALA 64 Cb 0.26 -1.10 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 2k3j n ALA 64 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k3j s SER 65 N -0.46 2.08 0.56 0.00 0.01 -0.76 -4.43 113.70 110.71 2k3j s SER 65 Ca 0.33 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 55.83 2k3j s SER 65 Cb 0.26 0.57 0.00 0.00 0.21 0.00 0.00 66.02 67.06 2k3j s SER 65 CO 0.09 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.31 2k3j n GLY 66 N -0.73 -0.21 0.16 3.44 0.00 -1.26 -2.99 105.19 103.60 2k3j n GLY 66 Ca 0.04 -1.05 0.13 0.00 0.00 0.00 0.00 46.02 45.14 2k3j n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3j h PRO 67 N 0.00 0.00 -0.51 1.61 0.13 -1.99 -2.12 132.00 129.12 2k3j h PRO 67 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k3j h PRO 67 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k3j h PRO 67 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 2k3j h GLY 69 N 3.06 -0.89 0.24 0.00 0.00 -1.28 -2.67 103.07 101.54 2k3j h GLY 69 Ca 0.00 0.33 0.24 0.00 0.00 0.00 0.00 47.33 47.90 2k3j h GLY 69 CO 0.06 -0.32 0.65 0.83 0.00 0.00 0.00 176.54 177.75 2k3j h GLU 70 N -0.93 0.00 0.01 4.80 3.07 -1.80 0.31 114.58 120.04 2k3j h GLU 70 Ca -0.09 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.60 2k3j h GLU 70 Cb 0.68 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.60 2k3j h GLU 70 CO 0.14 0.00 -0.68 1.96 -1.40 0.00 0.00 179.01 179.03 2k3j h GLN 71 N 0.00 0.44 -0.00 2.33 1.08 -1.84 -2.23 115.11 114.90 2k3j h GLN 71 Ca 0.39 -0.49 -0.17 0.00 -1.45 0.00 0.00 58.65 56.93 2k3j h GLN 71 Cb 1.68 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 29.24 2k3j h GLN 71 CO -0.00 1.15 -0.77 0.35 -0.95 0.00 0.00 178.83 178.60 2k3j h PHE 72 N -0.05 0.09 -0.74 2.96 3.57 -1.18 -0.17 116.94 121.41 2k3j h PHE 72 Ca -0.09 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.45 2k3j h PHE 72 Cb 1.39 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.06 2k3j h PHE 72 CO 0.14 0.81 0.40 0.87 -2.23 0.00 0.00 178.31 178.30 2k3j h LYS 73 N 0.04 0.67 0.05 1.11 1.79 -1.03 -0.84 116.57 118.37 2k3j h LYS 73 Ca -0.02 -0.04 -0.23 0.00 -2.18 0.00 0.00 60.65 58.18 2k3j h LYS 73 Cb 1.36 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.85 2k3j h LYS 73 CO 0.11 0.45 -1.06 1.03 -1.08 0.00 0.00 179.45 178.89 2k3j h SER 74 N 0.69 0.30 0.24 0.86 0.87 -1.14 -2.83 113.55 112.55 2k3j h SER 74 Ca 0.35 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2k3j h SER 74 Cb 0.32 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2k3j h SER 74 CO -0.24 1.17 -0.11 0.00 -0.53 0.00 0.00 176.83 177.12 2k3j h ALA 75 N 0.80 -0.32 -0.09 6.23 0.00 -0.81 -2.54 119.26 122.53 2k3j h ALA 75 Ca -0.08 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 2k3j h ALA 75 Cb 1.76 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2k3j h ALA 75 CO 0.16 -0.47 -0.60 0.35 0.00 0.00 0.00 179.25 178.69 2k3j h PHE 76 N -0.74 0.38 0.32 0.00 3.57 -1.29 -1.35 116.94 117.84 2k3j h PHE 76 Ca -0.03 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.31 2k3j h PHE 76 Cb 0.50 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2k3j h PHE 76 CO 0.04 0.82 -0.16 0.66 -2.23 0.00 0.00 178.31 177.45 2k3j h SER 77 N 0.22 -0.37 -0.71 0.41 4.64 -1.63 -1.54 113.55 114.58 2k3j h SER 77 Ca -0.01 -0.11 0.12 0.00 -0.47 0.00 0.00 61.79 61.32 2k3j h SER 77 Cb 1.11 0.10 -0.08 0.00 -0.31 0.00 0.00 62.40 63.22 2k3j h SER 77 CO 0.10 -0.10 0.30 0.00 -0.87 0.00 0.00 176.83 176.26 2k3j h PHE 79 N 0.48 0.59 0.00 0.00 3.57 -1.28 0.26 116.94 120.56 2k3j h PHE 79 Ca 0.37 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 2k3j h PHE 79 Cb 0.50 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2k3j h PHE 79 CO -0.15 0.53 -0.26 1.25 -2.23 0.00 0.00 178.31 177.44 2k3j h HIS 80 N 0.49 0.00 0.00 0.41 2.76 -0.15 -2.38 115.15 116.28 2k3j h HIS 80 Ca 0.13 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.99 2k3j h HIS 80 Cb 0.18 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 2k3j h HIS 80 CO -0.00 0.26 -1.84 0.66 -1.30 0.00 0.00 177.93 175.71 2k3j n TYR 81 N -4.04 0.82 -0.16 5.26 4.02 0.12 -4.00 117.16 119.18 2k3j n TYR 81 Ca -0.02 0.29 -0.06 0.00 -0.01 0.00 0.00 57.90 58.10 2k3j n TYR 81 Cb 0.33 -1.15 0.11 0.00 -0.02 0.00 0.00 39.34 38.60 2k3j n TYR 81 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2k3j h SER 82 N 0.00 0.88 0.00 7.72 0.87 -0.90 -3.47 113.55 118.65 2k3j h SER 82 Ca -0.34 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2k3j h SER 82 Cb 2.06 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 2k3j h SER 82 CO 0.07 0.93 0.00 0.35 -0.53 0.00 0.00 176.83 177.65 2k3j n THR 83 N -4.20 0.00 0.00 2.23 -2.24 -0.90 -4.91 114.28 104.26 2k3j n THR 83 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2k3j n THR 83 Cb 0.31 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.00 0.00 0.14 -0.78 1.02 -1.26 -4.99 120.64 112.77 2k3j n GLU 84 Ca 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2k3j n GLU 84 Cb 0.00 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 2k3j n GLU 84 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2k3j n GLU 85 N -0.68 0.00 -3.44 3.49 2.13 -1.26 -5.15 120.64 115.72 2k3j n GLU 85 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 2k3j n GLU 85 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 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 -2.00 5.11 -0.78 6.31 -1.09 -1.26 -4.98 121.20 122.51 2k3j s ILE 86 Ca 0.00 0.84 -0.26 0.00 -2.23 0.00 0.00 60.65 59.00 2k3j s ILE 86 Cb 0.00 -3.74 -0.17 0.00 -1.58 0.00 0.00 42.46 36.97 2k3j s ILE 86 CO 0.00 0.47 2.50 0.29 -1.23 0.00 0.00 174.94 176.98 2k3j n LYS 87 N 2.66 0.45 0.00 2.79 4.76 -1.26 -0.63 118.16 126.93 2k3j n LYS 87 Ca -0.11 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 2k3j n LYS 87 Cb 0.52 -2.42 0.00 0.00 -1.84 0.00 0.00 35.03 31.29 2k3j n LYS 87 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k3j n GLY 88 N 6.24 0.77 0.00 0.72 0.00 -1.26 -5.01 105.19 106.65 2k3j n GLY 88 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2k3j n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k3j n SER 89 N 0.00 0.00 0.00 1.61 2.88 0.20 -0.53 113.62 117.78 2k3j n SER 89 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2k3j n SER 89 Cb 0.00 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 63.71 2k3j n SER 89 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k3j n ASP 90 N 0.00 0.00 -0.66 -3.46 8.00 -1.26 -3.60 116.55 115.56 2k3j n ASP 90 Ca 0.00 -0.62 0.06 0.00 0.71 0.00 0.00 54.79 54.94 2k3j n ASP 90 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.25 2k3j n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k3j h VAL 92 N 2.23 0.32 -0.18 0.00 3.04 -1.22 -0.83 116.25 119.61 2k3j h VAL 92 Ca 0.00 -0.03 -0.05 0.00 -1.01 0.00 0.00 66.70 65.61 2k3j h VAL 92 Cb 0.72 0.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.21 2k3j h VAL 92 CO 0.00 0.02 -0.12 0.44 -1.01 0.00 0.00 177.57 176.90 2k3j h ASP 93 N 0.09 0.27 0.34 3.17 3.32 -1.88 -1.70 116.42 120.04 2k3j h ASP 93 Ca 0.67 -0.06 -0.28 0.00 0.02 0.00 0.00 57.03 57.38 2k3j h ASP 93 Cb 2.42 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 41.92 2k3j h ASP 93 CO -0.12 0.42 -1.21 1.56 -1.72 0.00 0.00 179.24 178.18 2k3j h GLN 94 N 0.28 0.46 -0.50 3.56 7.50 -1.53 -0.42 115.11 124.46 2k3j h GLN 94 Ca 0.06 -0.65 -0.10 0.00 0.50 0.00 0.00 58.65 58.46 2k3j h GLN 94 Cb 0.38 0.22 -0.02 0.00 0.05 0.00 0.00 27.48 28.11 2k3j h GLN 94 CO 0.02 1.28 -0.08 0.74 -1.50 0.00 0.00 178.83 179.29 2k3j h PHE 95 N 0.19 1.00 -0.24 2.96 -1.00 -1.58 0.07 116.94 118.33 2k3j h PHE 95 Ca -0.16 -0.18 -0.00 0.00 2.81 0.00 0.00 57.97 60.43 2k3j h PHE 95 Cb 1.89 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 41.18 2k3j h PHE 95 CO 0.09 0.94 0.13 -0.09 -1.61 0.00 0.00 178.31 177.77 2k3j h ARG 96 N 0.82 0.33 -0.79 1.51 2.43 -1.31 -0.13 114.38 117.24 2k3j h ARG 96 Ca 0.14 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2k3j h ARG 96 Cb 0.60 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 2k3j h ARG 96 CO 0.04 0.30 0.32 0.00 -1.51 0.00 0.00 179.97 179.11 2k3j h ALA 97 N 1.02 1.07 -0.38 2.80 0.00 -0.91 -1.26 119.26 121.59 2k3j h ALA 97 Ca 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k3j h ALA 97 Cb 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2k3j h ALA 97 CO -0.01 0.66 0.16 1.98 0.00 0.00 0.00 179.25 182.04 2k3j h MET 98 N 1.15 0.56 -0.19 0.00 1.85 -0.86 -2.29 114.93 115.15 2k3j h MET 98 Ca 0.26 -0.09 -0.16 0.00 -0.61 0.00 0.00 59.70 59.10 2k3j h MET 98 Cb 0.21 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.14 2k3j h MET 98 CO -0.02 0.52 -0.55 0.37 -0.40 0.00 0.00 176.91 176.83 2k3j h GLN 99 N 0.47 0.57 -0.35 0.39 4.15 -0.74 -1.35 115.11 118.25 2k3j h GLN 99 Ca 0.13 -0.36 -0.08 0.00 0.77 0.00 0.00 58.65 59.11 2k3j h GLN 99 Cb 0.16 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 2k3j h GLN 99 CO -0.01 0.97 -0.08 1.05 -1.93 0.00 0.00 178.83 178.83 2k3j h GLU 100 N 0.44 0.67 -0.21 1.69 -0.00 -1.30 -3.26 114.58 112.61 2k3j h GLU 100 Ca 0.01 -0.25 0.04 0.00 -0.00 0.00 0.00 59.36 59.16 2k3j h GLU 100 Cb 1.10 -0.04 -0.04 0.00 -0.00 0.00 0.00 28.75 29.76 2k3j h GLU 100 CO 0.10 0.83 -0.07 0.00 -0.00 0.00 0.00 179.01 179.88 2k3j n MET 102 N -5.22 0.31 -0.06 0.00 2.81 -0.53 -1.80 117.12 112.62 2k3j n MET 102 Ca -0.02 0.10 -0.03 0.00 -1.81 0.00 0.00 57.70 55.94 2k3j n MET 102 Cb 0.14 -1.50 -0.16 0.00 -0.71 0.00 0.00 33.22 30.99 2k3j n MET 102 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k3j n GLN 103 N -1.22 0.68 0.27 0.03 -0.00 -1.19 -4.40 117.38 111.56 2k3j n GLN 103 Ca 0.09 -0.06 0.16 0.00 -0.00 0.00 0.00 57.00 57.19 2k3j n GLN 103 Cb 0.11 -1.53 0.72 0.00 -0.00 0.00 0.00 30.24 29.54 2k3j n GLN 103 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2k3j h LYS 104 N 0.00 0.00 -2.94 2.61 1.57 -1.38 -3.36 116.57 113.06 2k3j h LYS 104 Ca -0.35 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.82 2k3j h LYS 104 Cb 1.80 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.71 2k3j h LYS 104 CO 0.02 0.05 -0.73 0.71 -0.57 0.00 0.00 179.45 178.93 2k3j s TYR 105 N -3.77 2.32 -0.05 -1.35 2.02 -1.18 -5.02 117.35 110.32 2k3j s TYR 105 Ca -0.00 -2.70 -0.16 0.00 -0.37 0.00 0.00 57.07 53.85 2k3j s TYR 105 Cb 0.10 -2.01 -0.31 0.00 -0.40 0.00 0.00 41.96 39.35 2k3j s TYR 105 CO 0.55 -0.73 0.73 -1.00 -1.57 0.00 0.00 175.55 173.52 2k3j h PRO 106 N 6.21 0.35 0.00 -1.71 0.13 -1.77 -3.45 132.00 131.76 2k3j h PRO 106 Ca 0.07 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2k3j h PRO 106 Cb 0.88 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2k3j h PRO 106 CO 0.54 1.29 0.00 -3.47 -0.23 0.00 0.00 178.00 176.13 2k3j n ASP 107 N -3.83 0.00 0.09 1.44 -0.08 -1.26 -4.98 116.55 107.93 2k3j n ASP 107 Ca -0.22 -0.78 0.11 0.00 -1.51 0.00 0.00 54.79 52.39 2k3j n ASP 107 Cb 0.97 0.00 0.45 0.00 2.34 0.00 0.00 41.12 44.88 2k3j n ASP 107 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k3j n LEU 108 N 0.00 0.51 -0.69 -2.67 -0.00 -1.26 -5.31 117.00 107.58 2k3j n LEU 108 Ca 0.00 0.62 0.13 0.00 -0.00 0.00 0.00 56.01 56.76 2k3j n LEU 108 Cb 0.39 -0.53 0.34 0.00 -0.00 0.00 0.00 43.42 43.62 2k3j n LEU 108 CO 0.00 -0.44 0.76 0.00 -0.00 0.00 0.00 177.39 177.71