#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3j h LEU 46 N 0.00 0.00 -9.71 0.99 8.10 -2.01 -3.44 115.31 109.25 2k3j h LEU 46 Ca 0.00 0.00 -0.59 0.00 0.11 0.00 0.00 57.88 57.40 2k3j h LEU 46 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.17 2k3j h LEU 46 CO 0.00 0.05 -0.12 -0.63 -4.11 0.00 0.00 178.44 173.63 2k3j s ILE 47 N -4.21 4.89 0.41 0.15 -1.09 -1.26 -1.10 121.20 118.99 2k3j s ILE 47 Ca -0.03 0.99 -0.17 0.00 -2.23 0.00 0.00 60.65 59.21 2k3j s ILE 47 Cb 0.13 -3.79 -0.09 0.00 -1.58 0.00 0.00 42.46 37.12 2k3j s ILE 47 CO 0.52 0.53 0.87 -0.76 -1.23 0.00 0.00 174.94 174.87 2k3j s LEU 48 N -1.20 3.90 0.56 2.97 1.43 -0.54 -4.76 118.68 121.05 2k3j s LEU 48 Ca 0.28 1.47 0.25 0.00 -1.03 0.00 0.00 54.13 55.10 2k3j s LEU 48 Cb -0.18 -4.33 1.59 0.00 0.03 0.00 0.00 46.19 43.30 2k3j s LEU 48 CO 0.16 -0.36 2.20 1.55 0.23 0.00 0.00 176.35 180.13 2k3j h PRO 49 N 1.74 0.00 -0.65 1.29 0.13 -1.99 -1.60 132.00 130.92 2k3j h PRO 49 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k3j h PRO 49 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k3j h PRO 49 CO 0.63 0.02 0.00 0.27 -0.23 0.00 0.00 178.00 178.69 2k3j n ASN 50 N -4.06 1.10 0.00 1.44 6.94 -1.26 -4.91 115.26 114.51 2k3j n ASN 50 Ca -0.03 -2.06 0.00 0.00 -0.02 0.00 0.00 54.58 52.47 2k3j n ASN 50 Cb 0.10 -0.36 0.00 0.00 -2.36 0.00 0.00 39.78 37.17 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 0.25 2.94 3.67 4.83 0.00 -0.60 -5.00 105.19 111.28 2k3j n GLY 51 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.54 2.16 0.05 1.61 3.84 -1.26 -4.83 114.94 115.97 2k3j s ASN 52 Ca 0.00 0.91 0.02 0.00 0.21 0.00 0.00 52.86 54.00 2k3j s ASN 52 Cb 0.00 -1.39 -0.04 0.00 -0.55 0.00 0.00 41.25 39.27 2k3j s ASN 52 CO 0.00 -3.39 0.09 -0.63 -2.79 0.00 0.00 177.10 170.38 2k3j s ILE 53 N -3.07 4.69 -1.24 -5.21 1.01 -1.26 -1.46 121.20 114.66 2k3j s ILE 53 Ca 0.67 -0.60 -0.18 0.00 0.00 0.00 0.00 60.65 60.54 2k3j s ILE 53 Cb -0.14 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 2k3j s ILE 53 CO 0.56 0.20 1.95 -3.20 0.00 0.00 0.00 174.94 174.46 2k3j n ASN 54 N 0.69 3.87 -1.16 3.58 5.15 -0.26 -4.72 115.26 122.42 2k3j n ASN 54 Ca -0.10 -2.82 0.00 0.00 -0.60 0.00 0.00 54.58 51.07 2k3j n ASN 54 Cb 0.52 -1.61 0.00 0.00 -0.53 0.00 0.00 39.78 38.16 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 8.61 0.00 -1.09 1.20 5.03 -1.26 -2.31 117.44 127.61 2k3j n TRP 55 Ca 0.49 -0.23 0.00 0.00 3.03 0.00 0.00 57.50 60.80 2k3j n TRP 55 Cb 0.43 -0.19 0.00 0.00 -1.03 0.00 0.00 31.31 30.52 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 1.00 0.00 -4.68 -0.99 5.15 -1.26 -4.60 115.26 109.89 2k3j n ASN 56 Ca 0.00 -1.00 -0.29 0.00 -0.60 0.00 0.00 54.58 52.69 2k3j n ASN 56 Cb 0.19 0.00 0.16 0.00 -0.53 0.00 0.00 39.78 39.60 2k3j n ASN 56 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k3j n PRO 58 N -4.10 0.00 -0.03 0.00 -0.04 -1.26 -0.54 135.00 129.03 2k3j n PRO 58 Ca 0.07 0.25 -0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2k3j n PRO 58 Cb 0.55 -1.24 -0.05 0.00 -0.04 0.00 0.00 33.50 32.72 2k3j n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3j h LEU 60 N 0.08 0.00 0.06 0.00 5.85 -1.91 -1.69 115.31 117.70 2k3j h LEU 60 Ca 0.05 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.49 2k3j h LEU 60 Cb 0.15 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2k3j h LEU 60 CO -0.00 0.10 -1.47 1.23 -0.34 0.00 0.00 178.44 177.96 2k3j h GLY 61 N 0.47 0.14 1.22 3.75 0.00 -0.79 -3.29 103.07 104.57 2k3j h GLY 61 Ca -0.00 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 46.98 2k3j h GLY 61 CO 0.01 0.32 0.53 -1.33 0.00 0.00 0.00 176.54 176.07 2k3j h GLY 62 N -0.19 1.11 2.00 4.60 0.00 -1.14 0.17 103.07 109.62 2k3j h GLY 62 Ca -0.35 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.56 2k3j h GLY 62 CO -0.07 0.40 0.00 -0.33 0.00 0.00 0.00 176.54 176.55 2k3j h MET 63 N 1.07 0.00 0.00 4.80 2.07 -1.51 -3.22 114.93 118.14 2k3j h MET 63 Ca 0.29 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.92 2k3j h MET 63 Cb -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.61 2k3j h MET 63 CO -0.06 0.00 -1.77 0.00 1.07 0.00 0.00 176.91 176.15 2k3j n ALA 64 N -2.04 3.03 -1.57 6.32 0.00 0.34 -4.37 120.51 122.21 2k3j n ALA 64 Ca 0.01 -0.50 -0.29 0.00 0.00 0.00 0.00 53.44 52.66 2k3j n ALA 64 Cb 0.29 -0.79 0.12 0.00 0.00 0.00 0.00 19.45 19.07 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 -4.40 3.83 0.05 0.00 0.01 0.14 -4.12 113.70 109.21 2k3j s SER 65 Ca -0.05 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.23 2k3j s SER 65 Cb 0.14 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.74 2k3j s SER 65 CO 0.89 -2.36 0.00 0.61 0.41 0.00 0.00 173.24 172.80 2k3j n GLY 66 N -2.29 -2.09 0.21 3.44 0.00 -1.26 -3.41 105.19 99.79 2k3j n GLY 66 Ca 0.07 -1.43 -0.08 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.44 0.00 1.61 0.13 -2.00 -3.24 132.00 128.06 2k3j h PRO 67 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2k3j h PRO 67 Cb 0.03 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.26 2k3j h PRO 67 CO 0.00 -0.23 0.00 0.00 -0.23 0.00 0.00 178.00 177.54 2k3j h GLY 69 N 0.30 0.00 1.78 0.00 0.00 -1.58 -1.25 103.07 102.33 2k3j h GLY 69 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2k3j h GLY 69 CO 0.00 0.00 -0.13 0.83 0.00 0.00 0.00 176.54 177.24 2k3j h GLU 70 N 0.00 0.27 0.02 4.80 5.08 -1.68 -0.94 114.58 122.13 2k3j h GLU 70 Ca -0.00 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 58.06 2k3j h GLU 70 Cb 0.27 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2k3j h GLU 70 CO 0.00 0.41 -0.99 1.96 -1.00 0.00 0.00 179.01 179.39 2k3j h GLN 71 N 0.26 0.42 -0.27 2.33 1.08 -1.47 -0.34 115.11 117.13 2k3j h GLN 71 Ca 0.05 -0.48 -0.03 0.00 -1.45 0.00 0.00 58.65 56.75 2k3j h GLN 71 Cb 0.39 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 2k3j h GLN 71 CO 0.02 1.14 0.06 0.35 -0.95 0.00 0.00 178.83 179.45 2k3j h PHE 72 N 0.23 0.46 -0.08 2.96 3.57 -1.47 0.15 116.94 122.75 2k3j h PHE 72 Ca -0.09 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.39 2k3j h PHE 72 Cb 1.63 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 40.19 2k3j h PHE 72 CO 0.06 0.52 -0.34 0.87 -2.23 0.00 0.00 178.31 177.19 2k3j h LYS 73 N 0.26 -0.43 0.39 1.11 1.57 -1.14 -2.60 116.57 115.74 2k3j h LYS 73 Ca 0.08 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2k3j h LYS 73 Cb 0.29 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2k3j h LYS 73 CO 0.00 -0.29 -0.34 1.03 -0.57 0.00 0.00 179.45 179.28 2k3j h SER 74 N -0.45 -0.93 -0.39 0.86 0.87 -0.97 -1.60 113.55 110.94 2k3j h SER 74 Ca 0.08 0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.75 2k3j h SER 74 Cb 0.57 0.30 -0.04 0.00 -0.44 0.00 0.00 62.40 62.79 2k3j h SER 74 CO -0.33 -0.47 0.14 0.00 -0.53 0.00 0.00 176.83 175.64 2k3j h ALA 75 N -1.22 0.46 -0.24 6.23 0.00 -1.01 -0.76 119.26 122.72 2k3j h ALA 75 Ca -0.05 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2k3j h ALA 75 Cb 0.61 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2k3j h ALA 75 CO -0.02 -0.25 -0.56 0.35 0.00 0.00 0.00 179.25 178.78 2k3j h PHE 76 N 0.30 1.03 -0.37 0.00 3.04 -1.53 -2.18 116.94 117.24 2k3j h PHE 76 Ca 0.18 -0.39 0.04 0.00 3.98 0.00 0.00 57.97 61.78 2k3j h PHE 76 Cb 0.15 -0.19 -0.04 0.00 2.56 0.00 0.00 35.95 38.43 2k3j h PHE 76 CO -0.14 1.20 0.13 0.66 -2.02 0.00 0.00 178.31 178.14 2k3j h SER 77 N 0.56 0.13 -0.26 0.41 4.64 -0.91 -0.59 113.55 117.52 2k3j h SER 77 Ca -0.00 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.38 2k3j h SER 77 Cb 1.17 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 2k3j h SER 77 CO 0.12 0.11 0.12 0.00 -0.87 0.00 0.00 176.83 176.32 2k3j h PHE 79 N 0.26 0.70 0.12 0.00 3.57 -1.16 0.22 116.94 120.66 2k3j h PHE 79 Ca 0.11 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2k3j h PHE 79 Cb 0.04 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 2k3j h PHE 79 CO -0.10 0.60 -0.06 1.25 -2.23 0.00 0.00 178.31 177.77 2k3j h HIS 80 N 0.60 -0.16 0.00 0.41 2.76 -0.84 0.25 115.15 118.17 2k3j h HIS 80 Ca 0.15 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2k3j h HIS 80 Cb 0.20 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2k3j h HIS 80 CO 0.00 -0.10 0.00 1.88 -1.30 0.00 0.00 177.93 178.41 2k3j h TYR 81 N -0.17 0.00 0.06 5.26 -1.99 -0.49 -2.62 116.97 117.03 2k3j h TYR 81 Ca -0.01 0.00 -0.33 0.00 2.00 0.00 0.00 58.73 60.38 2k3j h TYR 81 Cb 0.14 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.83 2k3j h TYR 81 CO -0.08 0.00 -1.90 0.45 -0.00 0.00 0.00 178.16 176.63 2k3j n SER 82 N -2.75 1.49 -0.89 3.88 2.88 0.04 -5.00 113.62 113.27 2k3j n SER 82 Ca -0.01 0.28 -0.10 0.00 -1.33 0.00 0.00 58.87 57.71 2k3j n SER 82 Cb 0.16 -0.43 -0.04 0.00 -0.75 0.00 0.00 64.21 63.15 2k3j n SER 82 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2k3j n THR 83 N -3.25 0.00 0.30 2.46 -2.24 0.05 -4.91 114.28 106.68 2k3j n THR 83 Ca -0.26 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.36 2k3j n THR 83 Cb 1.05 -1.26 -0.08 0.00 -2.10 0.00 0.00 70.33 67.94 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 -0.71 0.00 -0.78 4.39 -1.90 -3.49 114.58 112.08 2k3j h GLU 84 Ca -0.20 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.54 2k3j h GLU 84 Cb 0.96 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2k3j h GLU 84 CO 0.30 -0.44 0.00 -0.85 -1.16 0.00 0.00 179.01 176.86 2k3j n GLU 85 N -5.38 0.00 -2.25 2.33 -0.00 -1.26 -5.14 120.64 108.93 2k3j n GLU 85 Ca -0.12 0.00 -0.40 0.00 -0.00 0.00 0.00 57.16 56.64 2k3j n GLU 85 Cb 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.73 2k3j n GLU 85 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2k3j s ILE 86 N 0.00 3.02 -0.25 3.84 -1.09 -1.26 -4.89 121.20 120.58 2k3j s ILE 86 Ca 0.00 1.01 -0.28 0.00 -2.23 0.00 0.00 60.65 59.14 2k3j s ILE 86 Cb 0.00 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 2k3j s ILE 86 CO 0.00 0.22 2.04 -0.54 -1.23 0.00 0.00 174.94 175.43 2k3j s LYS 87 N -1.75 3.27 0.00 2.79 1.02 -1.26 -1.61 119.74 122.20 2k3j s LYS 87 Ca 0.48 1.83 0.00 0.00 0.02 0.00 0.00 55.97 58.31 2k3j s LYS 87 Cb -0.36 -4.29 0.00 0.00 -0.52 0.00 0.00 37.83 32.66 2k3j s LYS 87 CO 0.47 -1.94 0.00 0.41 -0.92 0.00 0.00 175.35 173.37 2k3j n GLY 88 N 5.55 0.63 0.34 -3.33 0.00 -1.26 -5.01 105.19 102.10 2k3j n GLY 88 Ca 0.27 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 2k3j n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k3j n SER 89 N 0.46 -0.72 -1.07 1.61 3.41 -0.64 -0.80 113.62 115.88 2k3j n SER 89 Ca 0.00 1.47 0.08 0.00 -0.26 0.00 0.00 58.87 60.16 2k3j n SER 89 Cb 0.00 -0.26 0.26 0.00 -0.26 0.00 0.00 64.21 63.95 2k3j n SER 89 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2k3j n ASP 90 N -5.13 3.88 -0.37 4.04 5.75 -1.26 -4.32 116.55 119.14 2k3j n ASP 90 Ca 0.05 -2.44 0.04 0.00 -0.01 0.00 0.00 54.79 52.43 2k3j n ASP 90 Cb 0.27 -0.45 0.05 0.00 -1.03 0.00 0.00 41.12 39.97 2k3j n ASP 90 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k3j n VAL 92 N 0.41 -0.30 0.27 0.00 3.14 -0.91 -1.65 118.33 119.28 2k3j n VAL 92 Ca 0.06 1.61 0.11 0.00 -2.96 0.00 0.00 64.34 63.17 2k3j n VAL 92 Cb 0.25 -2.29 0.73 0.00 -1.06 0.00 0.00 33.84 31.47 2k3j n VAL 92 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2k3j h ASP 93 N 0.00 0.00 0.43 6.55 3.58 -1.92 -1.24 116.42 123.82 2k3j h ASP 93 Ca 0.39 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.63 2k3j h ASP 93 Cb 0.71 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.75 2k3j h ASP 93 CO -0.71 0.08 -0.90 1.56 -2.88 0.00 0.00 179.24 176.39 2k3j h GLN 94 N 0.00 0.32 -0.22 0.28 4.20 -1.71 0.07 115.11 118.06 2k3j h GLN 94 Ca -0.00 -0.34 -0.13 0.00 0.06 0.00 0.00 58.65 58.23 2k3j h GLN 94 Cb 0.18 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2k3j h GLN 94 CO 0.01 1.03 -0.41 0.74 -0.67 0.00 0.00 178.83 179.53 2k3j h PHE 95 N 0.18 0.61 -0.15 2.96 -1.00 -1.49 -0.18 116.94 117.88 2k3j h PHE 95 Ca -0.06 -0.18 -0.00 0.00 2.81 0.00 0.00 57.97 60.54 2k3j h PHE 95 Cb 1.53 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.95 2k3j h PHE 95 CO 0.05 0.84 0.08 -0.09 -1.61 0.00 0.00 178.31 177.59 2k3j h ARG 96 N 0.42 0.20 -0.59 1.51 2.43 -1.06 -1.64 114.38 115.65 2k3j h ARG 96 Ca 0.03 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2k3j h ARG 96 Cb 0.90 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 2k3j h ARG 96 CO 0.08 0.19 0.23 0.00 -1.51 0.00 0.00 179.97 178.97 2k3j h ALA 97 N 1.00 0.77 -0.17 2.80 0.00 -0.90 -1.35 119.26 121.41 2k3j h ALA 97 Ca 0.05 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2k3j h ALA 97 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2k3j h ALA 97 CO -0.01 0.39 -0.02 1.98 0.00 0.00 0.00 179.25 181.59 2k3j h MET 98 N 0.82 0.02 0.00 0.00 1.85 -0.95 -2.02 114.93 114.66 2k3j h MET 98 Ca 0.20 -0.00 -0.16 0.00 -0.61 0.00 0.00 59.70 59.13 2k3j h MET 98 Cb 0.21 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.21 2k3j h MET 98 CO -0.02 0.02 -0.75 0.37 -0.40 0.00 0.00 176.91 176.13 2k3j h GLN 99 N 0.02 0.00 -0.17 0.39 4.15 -1.13 -2.27 115.11 116.11 2k3j h GLN 99 Ca 0.08 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 2k3j h GLN 99 Cb 0.11 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2k3j h GLN 99 CO -0.15 0.75 -0.04 1.05 -1.93 0.00 0.00 178.83 178.50 2k3j h GLU 100 N 0.00 0.32 -0.05 1.69 -0.00 -1.23 -2.80 114.58 112.50 2k3j h GLU 100 Ca -0.01 -0.12 0.02 0.00 -0.00 0.00 0.00 59.36 59.25 2k3j h GLU 100 Cb 1.44 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 30.16 2k3j h GLU 100 CO 0.10 0.60 -0.05 0.00 -0.00 0.00 0.00 179.01 179.65 2k3j h MET 102 N -0.07 0.00 0.00 0.00 2.86 -1.50 0.03 114.93 116.25 2k3j h MET 102 Ca 0.04 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.50 2k3j h MET 102 Cb 0.13 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2k3j h MET 102 CO -0.10 0.11 -1.18 -0.56 1.06 0.00 0.00 176.91 176.24 2k3j h GLN 103 N 0.00 0.00 -0.06 1.72 -0.00 -1.24 -3.29 115.11 112.24 2k3j h GLN 103 Ca -0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.47 2k3j h GLN 103 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.03 2k3j h GLN 103 CO 0.01 0.51 -0.74 0.87 -0.00 0.00 0.00 178.83 179.48 2k3j h LYS 104 N 0.00 0.33 -3.49 0.06 1.57 -1.14 -3.41 116.57 110.49 2k3j h LYS 104 Ca -0.12 -0.28 -0.70 0.00 -1.87 0.00 0.00 60.65 57.68 2k3j h LYS 104 Cb 1.66 0.06 -0.35 0.00 0.08 0.00 0.00 32.23 33.68 2k3j h LYS 104 CO 0.07 0.93 -0.30 0.71 -0.57 0.00 0.00 179.45 180.30 2k3j s TYR 105 N -3.56 3.52 -0.04 -1.35 2.02 -0.03 -4.97 117.35 112.94 2k3j s TYR 105 Ca -0.05 -2.80 -0.23 0.00 -0.37 0.00 0.00 57.07 53.63 2k3j s TYR 105 Cb 0.11 -3.21 -0.25 0.00 -0.40 0.00 0.00 41.96 38.21 2k3j s TYR 105 CO 0.83 -0.81 1.00 -1.00 -1.57 0.00 0.00 175.55 174.00 2k3j h PRO 106 N 6.75 0.26 0.00 -1.71 0.13 -1.80 -3.42 132.00 132.20 2k3j h PRO 106 Ca 0.03 -0.31 -0.13 0.00 -0.87 0.00 0.00 66.00 64.72 2k3j h PRO 106 Cb 0.92 0.10 -0.12 0.00 0.13 0.00 0.00 31.00 32.03 2k3j h PRO 106 CO 0.74 1.05 -0.22 -3.47 -0.23 0.00 0.00 178.00 175.87 2k3j n ASP 107 N -4.35 -1.07 0.00 1.44 -0.08 -1.26 -4.92 116.55 106.31 2k3j n ASP 107 Ca -0.11 -1.87 0.12 0.00 -1.51 0.00 0.00 54.79 51.42 2k3j n ASP 107 Cb 0.62 0.46 0.55 0.00 2.34 0.00 0.00 41.12 45.09 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 -0.86 0.00 0.00 -2.67 -0.00 -1.26 -5.32 117.00 106.89 2k3j n LEU 108 Ca -0.17 0.39 0.03 0.00 -0.00 0.00 0.00 56.01 56.26 2k3j n LEU 108 Cb 0.75 -0.39 0.18 0.00 -0.00 0.00 0.00 43.42 43.95 2k3j n LEU 108 CO -0.12 -0.08 0.41 -1.22 -0.00 0.00 0.00 177.39 176.38