#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 0.59 -4.69 0.99 -0.00 -1.26 -4.82 117.00 107.82 2k3j n LEU 46 Ca 0.00 -0.21 -0.35 0.00 -0.00 0.00 0.00 56.01 55.45 2k3j n LEU 46 Cb 0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 43.42 43.32 2k3j n LEU 46 CO 0.00 0.11 -0.28 -0.63 -0.00 0.00 0.00 177.39 176.58 2k3j s ILE 47 N -1.98 4.51 0.78 1.47 -1.09 -1.26 -1.54 121.20 122.09 2k3j s ILE 47 Ca 0.40 -0.16 -0.10 0.00 -2.23 0.00 0.00 60.65 58.55 2k3j s ILE 47 Cb 0.20 -2.93 0.06 0.00 -1.58 0.00 0.00 42.46 38.20 2k3j s ILE 47 CO 0.32 0.58 1.09 -0.76 -1.23 0.00 0.00 174.94 174.94 2k3j s LEU 48 N -0.62 3.03 0.08 2.97 1.43 0.33 -4.83 118.68 121.07 2k3j s LEU 48 Ca 0.10 1.83 0.11 0.00 -1.03 0.00 0.00 54.13 55.15 2k3j s LEU 48 Cb -0.12 -4.52 0.51 0.00 0.03 0.00 0.00 46.19 42.09 2k3j s LEU 48 CO 0.02 -2.06 1.35 -0.81 0.23 0.00 0.00 176.35 175.08 2k3j n PRO 49 N -3.54 0.05 -0.33 1.29 -0.04 -1.26 -1.52 135.00 129.65 2k3j n PRO 49 Ca 0.09 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 2k3j n PRO 49 Cb 0.53 -1.61 0.30 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.70 3.80 0.00 3.54 6.94 -1.26 -4.99 115.26 121.58 2k3j n ASN 50 Ca 0.01 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 2k3j n ASN 50 Cb 0.10 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 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 1.63 1.59 3.70 4.83 0.00 -0.57 -5.05 105.19 111.32 2k3j n GLY 51 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 2k3j n GLY 51 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k3j n ASN 52 N 0.00 0.55 -4.84 1.61 5.15 -1.26 -4.80 115.26 111.67 2k3j n ASN 52 Ca 0.00 -1.70 -0.38 0.00 -0.60 0.00 0.00 54.58 51.90 2k3j n ASN 52 Cb 0.00 -0.84 -0.06 0.00 -0.53 0.00 0.00 39.78 38.35 2k3j n ASN 52 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2k3j s ILE 53 N -3.47 5.01 -1.41 -1.44 1.01 -1.26 -0.51 121.20 119.13 2k3j s ILE 53 Ca 0.69 0.83 -0.14 0.00 0.00 0.00 0.00 60.65 62.03 2k3j s ILE 53 Cb -0.03 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 2k3j s ILE 53 CO 0.47 0.54 2.36 -3.20 0.00 0.00 0.00 174.94 175.11 2k3j n ASN 54 N 1.69 4.83 -2.82 3.58 5.15 -0.59 -4.77 115.26 122.34 2k3j n ASN 54 Ca -0.13 -2.75 -0.09 0.00 -0.60 0.00 0.00 54.58 51.01 2k3j n ASN 54 Cb 0.52 -1.57 -0.02 0.00 -0.53 0.00 0.00 39.78 38.18 2k3j n ASN 54 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2k3j n TRP 55 N 5.63 0.47 0.00 1.20 5.03 -1.26 -3.21 117.44 125.30 2k3j n TRP 55 Ca 0.57 -0.99 0.00 0.00 3.03 0.00 0.00 57.50 60.12 2k3j n TRP 55 Cb 0.35 -1.03 0.00 0.00 -1.03 0.00 0.00 31.31 29.60 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 3.93 0.00 -4.73 -0.99 2.85 -1.26 -4.81 115.26 110.26 2k3j n ASN 56 Ca 0.20 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.27 2k3j n ASN 56 Cb 0.15 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.19 2k3j n ASN 56 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k3j h PRO 58 N 1.95 -0.35 -0.17 0.00 0.13 -1.97 0.59 132.00 132.18 2k3j h PRO 58 Ca -0.49 0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2k3j h PRO 58 Cb 1.29 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 2k3j h PRO 58 CO 0.59 -0.23 -0.04 0.00 -0.23 0.00 0.00 178.00 178.09 2k3j h LEU 60 N 0.04 0.94 -0.64 0.00 5.85 -1.93 -2.11 115.31 117.46 2k3j h LEU 60 Ca 0.04 -0.63 -0.15 0.00 0.84 0.00 0.00 57.88 57.99 2k3j h LEU 60 Cb 0.48 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2k3j h LEU 60 CO 0.02 1.42 -0.55 1.23 -0.34 0.00 0.00 178.44 180.21 2k3j h GLY 61 N 0.53 0.39 0.95 3.75 0.00 -0.95 -2.84 103.07 104.90 2k3j h GLY 61 Ca -0.05 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 2k3j h GLY 61 CO 0.16 0.41 0.05 -1.33 0.00 0.00 0.00 176.54 175.83 2k3j h GLY 62 N 1.28 0.77 2.00 4.60 0.00 -0.76 -0.88 103.07 110.08 2k3j h GLY 62 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 2k3j h GLY 62 CO 0.09 0.49 -0.20 -0.33 0.00 0.00 0.00 176.54 176.59 2k3j h MET 63 N 0.57 0.00 -0.00 4.80 2.07 -1.45 -2.29 114.93 118.63 2k3j h MET 63 Ca 0.13 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.76 2k3j h MET 63 Cb 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.13 2k3j h MET 63 CO 0.01 0.20 -0.03 0.00 1.07 0.00 0.00 176.91 178.17 2k3j n ALA 64 N -2.22 2.53 -2.66 6.32 0.00 -0.94 -4.38 120.51 119.17 2k3j n ALA 64 Ca 0.00 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 2k3j n ALA 64 Cb 0.41 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.31 2k3j n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k3j s SER 65 N -2.63 6.01 0.00 0.00 0.15 -0.38 -4.52 113.70 112.34 2k3j s SER 65 Ca 0.26 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.87 2k3j s SER 65 Cb 0.20 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 2k3j s SER 65 CO 0.48 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 175.05 2k3j n GLY 66 N 5.12 2.54 0.17 9.45 0.00 -1.26 -4.79 105.19 116.43 2k3j n GLY 66 Ca -0.11 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.33 0.00 1.61 0.13 -1.98 -1.77 132.00 129.66 2k3j h PRO 67 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2k3j h PRO 67 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 2k3j h PRO 67 CO 0.00 -0.04 0.02 0.00 -0.23 0.00 0.00 178.00 177.75 2k3j h GLY 69 N 0.00 0.00 1.88 0.00 0.00 -1.52 -0.46 103.07 102.97 2k3j h GLY 69 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2k3j h GLY 69 CO 0.00 0.00 -0.41 1.05 0.00 0.00 0.00 176.54 177.18 2k3j h GLU 70 N 0.00 0.14 0.04 4.80 4.11 -1.55 -0.16 114.58 121.95 2k3j h GLU 70 Ca 0.15 -0.06 -0.18 0.00 0.07 0.00 0.00 59.36 59.34 2k3j h GLU 70 Cb 0.64 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.91 2k3j h GLU 70 CO -0.00 0.53 -0.72 1.96 0.07 0.00 0.00 179.01 180.85 2k3j h GLN 71 N 0.12 0.42 -0.44 1.06 1.08 -1.32 -1.34 115.11 114.69 2k3j h GLN 71 Ca 0.01 -0.50 0.08 0.00 -1.45 0.00 0.00 58.65 56.78 2k3j h GLN 71 Cb 0.78 0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 28.30 2k3j h GLN 71 CO 0.06 1.17 0.02 0.35 -0.95 0.00 0.00 178.83 179.48 2k3j h PHE 72 N -0.10 0.02 -0.40 2.96 3.57 -1.28 0.20 116.94 121.92 2k3j h PHE 72 Ca -0.10 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2k3j h PHE 72 Cb 1.45 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.23 2k3j h PHE 72 CO 0.15 -0.07 0.21 0.87 -2.23 0.00 0.00 178.31 177.25 2k3j h LYS 73 N 0.14 0.56 -0.75 1.11 1.57 -1.03 -1.78 116.57 116.39 2k3j h LYS 73 Ca 0.22 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2k3j h LYS 73 Cb 0.30 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2k3j h LYS 73 CO -0.34 0.46 0.31 1.03 -0.57 0.00 0.00 179.45 180.34 2k3j h SER 74 N 0.51 1.01 -0.18 0.86 0.87 -0.82 -0.48 113.55 115.32 2k3j h SER 74 Ca 0.14 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2k3j h SER 74 Cb 0.07 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 2k3j h SER 74 CO -0.02 0.88 0.05 0.00 -0.53 0.00 0.00 176.83 177.21 2k3j h ALA 75 N 1.26 0.24 -0.29 6.23 0.00 -0.42 -1.93 119.26 124.36 2k3j h ALA 75 Ca 0.25 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2k3j h ALA 75 Cb 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2k3j h ALA 75 CO -0.02 -0.13 -0.34 0.74 0.00 0.00 0.00 179.25 179.50 2k3j h PHE 76 N 0.11 0.89 -0.37 0.00 0.04 -1.23 -1.75 116.94 114.63 2k3j h PHE 76 Ca 0.06 -0.28 -0.10 0.00 2.80 0.00 0.00 57.97 60.45 2k3j h PHE 76 Cb 0.24 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2k3j h PHE 76 CO 0.00 1.05 -0.17 0.66 -0.60 0.00 0.00 178.31 179.25 2k3j h SER 77 N 0.48 0.79 -0.22 2.17 4.64 -1.11 0.58 113.55 120.88 2k3j h SER 77 Ca 0.04 -0.40 0.04 0.00 -0.47 0.00 0.00 61.79 61.00 2k3j h SER 77 Cb 0.92 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 2k3j h SER 77 CO 0.08 1.02 0.01 0.00 -0.87 0.00 0.00 176.83 177.06 2k3j h PHE 79 N 0.08 -0.09 -0.25 0.00 3.57 -1.22 -2.29 116.94 116.74 2k3j h PHE 79 Ca 0.10 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.65 2k3j h PHE 79 Cb 0.12 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 2k3j h PHE 79 CO -0.18 0.14 -0.06 1.25 -2.23 0.00 0.00 178.31 177.24 2k3j h HIS 80 N -0.32 -0.13 0.00 0.41 2.76 -0.78 -2.37 115.15 114.73 2k3j h HIS 80 Ca -0.01 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2k3j h HIS 80 Cb 0.28 0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.33 2k3j h HIS 80 CO -0.00 -0.11 0.00 1.88 -1.30 0.00 0.00 177.93 178.40 2k3j h TYR 81 N 0.00 0.00 0.00 5.26 -1.99 -1.29 -2.81 116.97 116.14 2k3j h TYR 81 Ca 0.12 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.74 2k3j h TYR 81 Cb 0.18 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 2k3j h TYR 81 CO -0.25 0.00 -0.57 1.03 -0.00 0.00 0.00 178.16 178.37 2k3j h SER 82 N 0.00 0.00 0.00 3.88 0.87 -0.97 -3.48 113.55 113.85 2k3j h SER 82 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k3j h SER 82 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2k3j h SER 82 CO 0.00 0.50 0.00 0.35 -0.53 0.00 0.00 176.83 177.15 2k3j n THR 83 N -3.19 0.00 -0.19 2.23 -2.24 -0.93 -4.87 114.28 105.08 2k3j n THR 83 Ca 0.01 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.77 2k3j n THR 83 Cb 0.74 -0.46 0.08 0.00 -2.10 0.00 0.00 70.33 68.60 2k3j n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2k3j h GLU 84 N 0.00 0.46 0.00 -0.78 4.39 -1.90 -3.48 114.58 113.27 2k3j h GLU 84 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2k3j h GLU 84 Cb 0.27 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2k3j h GLU 84 CO 0.00 0.30 0.00 0.39 -1.16 0.00 0.00 179.01 178.54 2k3j n GLU 85 N -4.93 0.00 -2.54 2.33 1.02 -1.26 -5.13 120.64 110.13 2k3j n GLU 85 Ca 0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 2k3j n GLU 85 Cb 0.21 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.60 2k3j n GLU 85 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2k3j s ILE 86 N 0.00 4.39 -0.79 -3.67 1.01 -1.26 -4.90 121.20 115.98 2k3j s ILE 86 Ca 0.00 1.71 -0.35 0.00 0.00 0.00 0.00 60.65 62.02 2k3j s ILE 86 Cb 0.00 -4.10 -0.20 0.00 0.01 0.00 0.00 42.46 38.18 2k3j s ILE 86 CO 0.00 0.09 2.49 0.29 0.00 0.00 0.00 174.94 177.81 2k3j n LYS 87 N 4.31 0.13 -0.91 2.79 4.76 -1.26 -0.91 118.16 127.07 2k3j n LYS 87 Ca 0.09 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 2k3j n LYS 87 Cb 0.48 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 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 6.75 0.52 0.33 0.72 0.00 -1.26 -4.99 105.19 107.26 2k3j n GLY 88 Ca 0.60 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.53 2k3j n GLY 88 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2k3j h SER 89 N 0.00 -0.44 -0.25 1.61 0.87 -1.42 -0.10 113.55 113.82 2k3j h SER 89 Ca 0.00 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2k3j h SER 89 Cb 0.00 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2k3j h SER 89 CO 0.00 -0.31 0.00 -0.90 -0.53 0.00 0.00 176.83 175.09 2k3j n ASP 90 N -5.45 2.64 -0.63 6.23 5.75 -1.26 -4.57 116.55 119.25 2k3j n ASP 90 Ca 0.21 -1.86 0.06 0.00 -0.01 0.00 0.00 54.79 53.19 2k3j n ASP 90 Cb 0.68 -0.17 0.12 0.00 -1.03 0.00 0.00 41.12 40.73 2k3j n ASP 90 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k3j h VAL 92 N 2.36 0.07 -0.80 0.00 2.07 -1.66 -1.12 116.25 117.16 2k3j h VAL 92 Ca 0.00 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.60 2k3j h VAL 92 Cb 0.67 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 2k3j h VAL 92 CO 0.00 0.01 0.52 -0.78 0.02 0.00 0.00 177.57 177.34 2k3j h ASP 93 N 0.07 0.64 0.93 0.57 3.58 -1.90 -0.01 116.42 120.29 2k3j h ASP 93 Ca 0.81 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 58.15 2k3j h ASP 93 Cb 2.06 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.98 2k3j h ASP 93 CO -0.74 0.37 -0.63 1.56 -2.88 0.00 0.00 179.24 176.92 2k3j h GLN 94 N 0.70 0.00 0.06 0.28 7.50 -1.58 -0.06 115.11 122.00 2k3j h GLN 94 Ca 0.37 0.00 -0.26 0.00 0.50 0.00 0.00 58.65 59.26 2k3j h GLN 94 Cb 0.50 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.04 2k3j h GLN 94 CO -0.14 0.63 -1.09 0.74 -1.50 0.00 0.00 178.83 177.46 2k3j h PHE 95 N 0.00 0.78 -0.48 2.96 -1.00 -1.39 -1.34 116.94 116.47 2k3j h PHE 95 Ca -0.01 -0.46 -0.03 0.00 2.81 0.00 0.00 57.97 60.28 2k3j h PHE 95 Cb 1.26 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.73 2k3j h PHE 95 CO 0.00 1.31 0.19 -0.09 -1.61 0.00 0.00 178.31 178.10 2k3j h ARG 96 N 0.25 0.71 -0.22 1.51 2.43 -1.01 -1.76 114.38 116.29 2k3j h ARG 96 Ca -0.13 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 58.93 2k3j h ARG 96 Cb 1.76 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.17 2k3j h ARG 96 CO 0.20 0.65 0.07 0.00 -1.51 0.00 0.00 179.97 179.37 2k3j h ALA 97 N 1.03 0.24 -0.72 2.80 0.00 -1.03 -0.72 119.26 120.86 2k3j h ALA 97 Ca 0.16 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.21 2k3j h ALA 97 Cb 0.20 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 2k3j h ALA 97 CO -0.01 -0.35 0.32 1.98 0.00 0.00 0.00 179.25 181.19 2k3j h MET 98 N 0.17 0.50 0.47 0.00 1.85 -1.12 -1.29 114.93 115.50 2k3j h MET 98 Ca 0.10 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.13 2k3j h MET 98 Cb 0.07 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 31.99 2k3j h MET 98 CO -0.11 0.33 -0.23 0.37 -0.40 0.00 0.00 176.91 176.88 2k3j h GLN 99 N 0.52 -0.61 -0.46 0.39 4.15 -0.79 -1.51 115.11 116.80 2k3j h GLN 99 Ca 0.38 0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.81 2k3j h GLN 99 Cb 0.49 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 2k3j h GLN 99 CO -0.33 -0.33 0.17 1.05 -1.93 0.00 0.00 178.83 177.45 2k3j h GLU 100 N -0.80 0.67 0.36 1.69 4.11 -0.89 0.23 114.58 119.95 2k3j h GLU 100 Ca -0.06 -0.10 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 2k3j h GLU 100 Cb 0.56 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2k3j h GLU 100 CO 0.11 0.56 -0.17 0.00 0.07 0.00 0.00 179.01 179.58 2k3j h MET 102 N -0.69 0.00 0.00 0.00 2.86 -0.96 -0.16 114.93 115.98 2k3j h MET 102 Ca -0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2k3j h MET 102 Cb 0.49 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 2k3j h MET 102 CO 0.08 0.00 -0.04 -0.56 1.06 0.00 0.00 176.91 177.45 2k3j h GLN 103 N 0.00 0.00 0.04 1.72 3.07 -1.07 -3.14 115.11 115.73 2k3j h GLN 103 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.43 2k3j h GLN 103 Cb 0.97 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.50 2k3j h GLN 103 CO 0.00 0.04 -1.72 0.87 0.09 0.00 0.00 178.83 178.12 2k3j h LYS 104 N 0.00 0.09 -3.58 0.06 1.57 -1.41 -3.44 116.57 109.85 2k3j h LYS 104 Ca -0.00 -0.15 -0.72 0.00 -1.87 0.00 0.00 60.65 57.91 2k3j h LYS 104 Cb 0.78 0.05 -0.33 0.00 0.08 0.00 0.00 32.23 32.81 2k3j h LYS 104 CO 0.01 0.75 -0.22 0.71 -0.57 0.00 0.00 179.45 180.12 2k3j s TYR 105 N -2.60 3.54 0.00 -1.35 2.02 -0.10 -5.02 117.35 113.84 2k3j s TYR 105 Ca -0.09 -2.61 0.00 0.00 -0.37 0.00 0.00 57.07 54.00 2k3j s TYR 105 Cb 0.08 -3.34 0.00 0.00 -0.40 0.00 0.00 41.96 38.30 2k3j s TYR 105 CO 0.82 -0.86 0.00 -0.35 -1.57 0.00 0.00 175.55 173.59 2k3j n PRO 106 N 3.41 0.00 -0.10 -1.71 -0.04 -1.25 -4.61 135.00 130.70 2k3j n PRO 106 Ca 0.11 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 2k3j n PRO 106 Cb 0.40 -0.09 0.09 0.00 -0.04 0.00 0.00 33.50 33.86 2k3j n PRO 106 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2k3j n ASP 107 N 0.00 2.50 0.00 3.54 8.00 -1.26 -4.71 116.55 124.62 2k3j n ASP 107 Ca 0.00 -1.93 0.06 0.00 0.71 0.00 0.00 54.79 53.63 2k3j n ASP 107 Cb 0.00 -0.13 0.28 0.00 -0.02 0.00 0.00 41.12 41.25 2k3j n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k3j n LEU 108 N 0.17 0.00 0.00 0.64 -0.00 -1.26 -5.31 117.00 111.24 2k3j n LEU 108 Ca 0.07 0.43 0.00 0.00 -0.00 0.00 0.00 56.01 56.51 2k3j n LEU 108 Cb 0.34 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 2k3j n LEU 108 CO 0.05 -0.25 0.19 -1.22 -0.00 0.00 0.00 177.39 176.16