#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkx s THR 3 N 0.00 2.18 0.11 0.58 2.01 -1.26 -4.72 115.64 114.55 3gkx s THR 3 Ca 0.00 -1.76 -0.29 0.00 0.31 0.00 0.00 61.69 59.94 3gkx s THR 3 Cb 0.00 -2.35 -0.06 0.00 0.01 0.00 0.00 72.50 70.10 3gkx s THR 3 CO 0.00 -0.13 0.94 -0.76 -0.69 0.00 0.00 174.62 173.97 3gkx s LEU 4 N 1.07 4.51 -0.40 4.42 1.43 -0.28 -0.44 118.68 128.98 3gkx s LEU 4 Ca -0.05 1.76 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 3gkx s LEU 4 Cb -0.20 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.59 3gkx s LEU 4 CO -0.06 -0.04 0.12 0.12 0.23 0.00 0.00 176.35 176.73 3gkx s PHE 5 N -0.11 3.61 -0.19 0.29 5.99 0.01 -0.77 117.98 126.80 3gkx s PHE 5 Ca 0.45 -2.99 -0.22 0.00 0.00 0.00 0.00 56.93 54.17 3gkx s PHE 5 Cb -0.23 -2.94 -0.02 0.00 0.00 0.00 0.00 43.02 39.83 3gkx s PHE 5 CO 0.29 -0.90 0.70 -0.51 -0.00 0.00 0.00 175.22 174.80 3gkx s LEU 6 N 0.62 4.15 0.23 6.12 1.02 -0.20 -0.62 118.68 130.00 3gkx s LEU 6 Ca 0.12 0.94 -0.14 0.00 0.02 0.00 0.00 54.13 55.07 3gkx s LEU 6 Cb -0.21 -3.00 0.00 0.00 0.02 0.00 0.00 46.19 43.00 3gkx s LEU 6 CO -0.06 -0.33 0.50 0.00 0.02 0.00 0.00 176.35 176.48 3gkx s GLN 7 N 2.05 1.51 -0.23 1.70 -2.07 -0.55 -1.60 119.66 120.48 3gkx s GLN 7 Ca 0.32 -1.15 0.02 0.00 -1.82 0.00 0.00 55.36 52.73 3gkx s GLN 7 Cb -0.16 0.49 0.05 0.00 -1.09 0.00 0.00 33.01 32.29 3gkx s GLN 7 CO 0.11 -0.63 -0.13 -0.47 -1.32 0.00 0.00 175.29 172.84 3gkx s TYR 8 N -3.98 3.03 0.22 9.60 5.04 -1.26 -2.16 117.35 127.84 3gkx s TYR 8 Ca 0.19 -2.07 -0.19 0.00 -2.44 0.00 0.00 57.07 52.56 3gkx s TYR 8 Cb -0.01 -1.89 0.19 0.00 0.35 0.00 0.00 41.96 40.61 3gkx s TYR 8 CO 0.06 -0.85 1.56 -1.35 -1.34 0.00 0.00 175.55 173.63 3gkx h PRO 9 N 7.84 -0.04 0.00 4.97 0.11 -2.00 -0.86 132.00 142.03 3gkx h PRO 9 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3gkx h PRO 9 Cb 1.07 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3gkx h PRO 9 CO 0.51 -0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.27 3gkx n ALA 10 N -3.39 2.09 -2.72 -0.75 0.00 -1.26 -4.71 120.51 109.77 3gkx n ALA 10 Ca 0.08 -0.08 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 3gkx n ALA 10 Cb 0.38 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 3gkx n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gkx h SER 12 N 6.72 0.00 0.19 0.00 4.64 -1.87 -2.53 113.55 120.71 3gkx h SER 12 Ca -0.41 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.76 3gkx h SER 12 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3gkx h SER 12 CO 0.76 0.47 -0.59 0.74 -0.87 0.00 0.00 176.83 177.34 3gkx h THR 13 N 0.00 1.35 -0.35 2.95 2.02 -1.94 -1.51 112.91 115.43 3gkx h THR 13 Ca -0.00 -1.89 -0.05 0.00 0.77 0.00 0.00 66.41 65.23 3gkx h THR 13 Cb 1.26 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 3gkx h THR 13 CO 0.06 0.57 0.02 0.00 0.37 0.00 0.00 175.52 176.55 3gkx h GLN 15 N 0.42 0.71 -0.46 0.00 4.20 -1.39 0.17 115.11 118.77 3gkx h GLN 15 Ca 0.10 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 3gkx h GLN 15 Cb 0.42 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3gkx h GLN 15 CO 0.01 0.47 -0.02 0.87 -0.67 0.00 0.00 178.83 179.50 3gkx h LYS 16 N 0.74 0.82 0.24 1.46 1.57 -1.10 -1.57 116.57 118.73 3gkx h LYS 16 Ca 0.42 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3gkx h LYS 16 Cb 0.46 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3gkx h LYS 16 CO -0.29 0.89 -0.36 0.00 -0.57 0.00 0.00 179.45 179.12 3gkx h ALA 17 N 0.91 -0.70 0.29 3.86 0.00 -0.19 -1.40 119.26 122.02 3gkx h ALA 17 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gkx h ALA 17 Cb 0.53 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3gkx h ALA 17 CO 0.03 -0.94 -0.41 -0.22 0.00 0.00 0.00 179.25 177.70 3gkx h LYS 18 N -0.67 -0.73 -0.92 0.00 3.64 -0.70 0.85 116.57 118.02 3gkx h LYS 18 Ca 0.00 0.05 0.27 0.00 -1.27 0.00 0.00 60.65 59.70 3gkx h LYS 18 Cb 0.65 0.17 -0.16 0.00 -0.41 0.00 0.00 32.23 32.48 3gkx h LYS 18 CO -0.14 -0.49 0.22 -0.22 -2.27 0.00 0.00 179.45 176.55 3gkx h LYS 19 N -0.76 0.13 -0.28 1.90 3.64 -1.31 -0.22 116.57 119.66 3gkx h LYS 19 Ca -0.01 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 3gkx h LYS 19 Cb 0.72 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3gkx h LYS 19 CO -0.14 0.08 -0.47 2.35 -2.27 0.00 0.00 179.45 179.00 3gkx h TRP 20 N 0.13 0.92 -0.40 1.91 7.01 -0.06 -1.50 115.95 123.95 3gkx h TRP 20 Ca 0.60 -0.30 -0.08 0.00 2.11 0.00 0.00 58.89 61.22 3gkx h TRP 20 Cb 1.29 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 28.15 3gkx h TRP 20 CO -0.29 1.08 -0.05 -0.07 -2.79 0.00 0.00 178.44 176.31 3gkx h LEU 21 N 0.60 0.75 0.55 0.65 3.38 0.84 -2.41 115.31 119.67 3gkx h LEU 21 Ca 0.03 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 3gkx h LEU 21 Cb 1.04 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.59 3gkx h LEU 21 CO 0.10 0.91 -0.26 0.40 0.09 0.00 0.00 178.44 179.68 3gkx h ILE 22 N 0.57 0.41 -1.18 1.22 2.04 -1.25 0.15 117.51 119.47 3gkx h ILE 22 Ca 0.11 -0.22 0.34 0.00 1.00 0.00 0.00 64.86 66.09 3gkx h ILE 22 Cb 0.56 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 3gkx h ILE 22 CO 0.03 0.03 1.00 -0.08 0.00 0.00 0.00 178.15 179.14 3gkx h GLU 23 N -0.89 0.00 -0.28 2.37 4.57 -1.30 0.88 114.58 119.94 3gkx h GLU 23 Ca -0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3gkx h GLU 23 Cb 0.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 3gkx h GLU 23 CO 0.12 0.00 0.00 -1.71 -1.18 0.00 0.00 179.01 176.24 3gkx n ASN 24 N -3.79 2.98 -4.28 1.04 2.85 -0.91 -4.99 115.26 108.17 3gkx n ASN 24 Ca 0.26 -1.87 -0.33 0.00 -0.11 0.00 0.00 54.58 52.53 3gkx n ASN 24 Cb 1.38 -0.18 -0.07 0.00 1.24 0.00 0.00 39.78 42.15 3gkx n ASN 24 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3gkx n ASN 25 N 1.08 -0.36 -4.70 1.20 5.15 0.31 -4.91 115.26 113.03 3gkx n ASN 25 Ca 0.14 -1.19 -0.40 0.00 -0.60 0.00 0.00 54.58 52.54 3gkx n ASN 25 Cb 0.49 -2.04 -0.05 0.00 -0.53 0.00 0.00 39.78 37.65 3gkx n ASN 25 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3gkx s ILE 26 N -3.95 5.06 -0.03 -1.44 1.01 -0.70 -5.04 121.20 116.11 3gkx s ILE 26 Ca 0.25 1.30 -0.29 0.00 0.00 0.00 0.00 60.65 61.91 3gkx s ILE 26 Cb -0.14 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 3gkx s ILE 26 CO 0.97 0.22 0.95 -1.61 0.00 0.00 0.00 174.94 175.47 3gkx s GLU 27 N 1.12 4.51 0.07 2.79 2.02 -1.26 -4.72 118.70 123.23 3gkx s GLU 27 Ca 0.33 1.34 -0.02 0.00 0.02 0.00 0.00 54.97 56.64 3gkx s GLU 27 Cb -0.17 -3.48 -0.03 0.00 0.10 0.00 0.00 34.13 30.55 3gkx s GLU 27 CO 0.14 -0.10 0.02 1.52 0.02 0.00 0.00 175.26 176.86 3gkx s TYR 28 N 1.22 0.51 -0.22 1.61 -0.85 -1.26 -4.60 117.35 113.76 3gkx s TYR 28 Ca 0.49 -1.02 -0.03 0.00 -0.52 0.00 0.00 57.07 56.00 3gkx s TYR 28 Cb -0.20 -0.35 0.00 0.00 0.38 0.00 0.00 41.96 41.79 3gkx s TYR 28 CO 0.24 -0.43 -0.07 0.99 -1.52 0.00 0.00 175.55 174.77 3gkx s THR 29 N -3.93 3.09 0.19 -3.49 2.01 0.41 -4.95 115.64 108.98 3gkx s THR 29 Ca 0.09 -0.65 -0.31 0.00 0.31 0.00 0.00 61.69 61.14 3gkx s THR 29 Cb 0.07 -2.42 -0.09 0.00 0.01 0.00 0.00 72.50 70.07 3gkx s THR 29 CO -0.08 0.40 1.40 0.21 -0.69 0.00 0.00 174.62 175.86 3gkx s ASN 30 N 1.43 6.77 -0.03 3.53 2.47 -1.26 -0.81 114.94 127.03 3gkx s ASN 30 Ca 0.05 2.49 0.02 0.00 0.42 0.00 0.00 52.86 55.83 3gkx s ASN 30 Cb -0.14 -2.61 0.01 0.00 -1.45 0.00 0.00 41.25 37.06 3gkx s ASN 30 CO -0.05 -0.65 -0.06 -0.60 -3.72 0.00 0.00 177.10 172.03 3gkx s ARG 31 N 0.26 0.78 -0.48 0.43 3.52 0.20 -4.88 118.95 118.78 3gkx s ARG 31 Ca 0.61 -0.18 -0.28 0.00 -0.13 0.00 0.00 55.73 55.75 3gkx s ARG 31 Cb -0.39 -0.76 0.02 0.00 -1.56 0.00 0.00 34.95 32.25 3gkx s ARG 31 CO 0.37 0.02 1.36 -0.51 -0.81 0.00 0.00 175.30 175.72 3gkx s LEU 32 N 0.49 3.52 0.50 -0.88 1.43 -1.26 -1.48 118.68 121.00 3gkx s LEU 32 Ca -0.07 0.54 0.25 0.00 -1.03 0.00 0.00 54.13 53.82 3gkx s LEU 32 Cb -0.10 -3.36 1.35 0.00 0.03 0.00 0.00 46.19 44.11 3gkx s LEU 32 CO 0.00 -1.50 2.05 -0.29 0.23 0.00 0.00 176.35 176.84 3gkx h ILE 33 N 6.39 0.68 0.00 -0.59 2.10 -1.66 0.38 117.51 124.81 3gkx h ILE 33 Ca -0.26 -0.57 -0.02 0.00 1.08 0.00 0.00 64.86 65.08 3gkx h ILE 33 Cb 1.09 1.35 -0.00 0.00 -1.09 0.00 0.00 36.82 38.17 3gkx h ILE 33 CO 1.13 0.14 -0.21 0.58 -1.08 0.00 0.00 178.15 178.71 3gkx h VAL 34 N 0.00 0.64 -0.63 2.19 2.07 -1.81 -3.28 116.25 115.43 3gkx h VAL 34 Ca -0.00 -1.54 -0.09 0.00 0.82 0.00 0.00 66.70 65.90 3gkx h VAL 34 Cb 0.34 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3gkx h VAL 34 CO 0.02 0.22 0.05 0.44 0.02 0.00 0.00 177.57 178.32 3gkx h ASP 35 N -1.00 1.04 -2.31 0.57 5.19 -1.93 -3.34 116.42 114.64 3gkx h ASP 35 Ca -0.04 -0.27 -0.63 0.00 -0.62 0.00 0.00 57.03 55.47 3gkx h ASP 35 Cb 0.52 -0.28 -0.40 0.00 0.18 0.00 0.00 39.33 39.35 3gkx h ASP 35 CO -0.02 1.06 -0.37 -0.67 -3.12 0.00 0.00 179.24 176.12 3gkx n ASP 36 N -4.20 4.21 -4.81 6.45 -0.08 0.13 -5.07 116.55 113.18 3gkx n ASP 36 Ca 0.04 -3.44 -0.34 0.00 -1.51 0.00 0.00 54.79 49.53 3gkx n ASP 36 Cb 0.32 -0.77 -0.06 0.00 2.34 0.00 0.00 41.12 42.95 3gkx n ASP 36 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3gkx s ASN 37 N -2.38 6.94 0.24 1.67 4.22 -1.24 -4.50 114.94 119.88 3gkx s ASN 37 Ca 0.39 1.75 -0.31 0.00 -2.14 0.00 0.00 52.86 52.54 3gkx s ASN 37 Cb 0.13 -2.55 -0.13 0.00 1.28 0.00 0.00 41.25 39.98 3gkx s ASN 37 CO 0.01 -0.36 1.48 -2.65 -2.04 0.00 0.00 177.10 173.54 3gkx n PRO 38 N -0.46 2.19 -2.57 3.55 -0.02 -1.26 -4.98 135.00 131.45 3gkx n PRO 38 Ca 0.06 0.78 -0.22 0.00 -2.02 0.00 0.00 63.50 62.11 3gkx n PRO 38 Cb 0.53 -2.48 0.05 0.00 -0.02 0.00 0.00 33.50 31.57 3gkx n PRO 38 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3gkx s THR 39 N 0.13 2.56 0.18 3.45 -4.23 -1.26 -4.57 115.64 111.91 3gkx s THR 39 Ca 0.69 -0.60 -0.11 0.00 -1.18 0.00 0.00 61.69 60.49 3gkx s THR 39 Cb -0.62 -2.96 0.09 0.00 1.34 0.00 0.00 72.50 70.35 3gkx s THR 39 CO 0.47 0.00 1.74 0.58 -0.54 0.00 0.00 174.62 176.87 3gkx h VAL 40 N -0.08 1.23 -0.70 2.29 2.07 -1.90 -0.87 116.25 118.30 3gkx h VAL 40 Ca -0.42 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 3gkx h VAL 40 Cb 1.30 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3gkx h VAL 40 CO 0.52 0.29 0.40 -0.33 0.02 0.00 0.00 177.57 178.47 3gkx h GLU 41 N 0.89 0.95 -0.02 1.57 3.07 -1.99 -0.61 114.58 118.44 3gkx h GLU 41 Ca 0.21 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3gkx h GLU 41 Cb 0.19 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3gkx h GLU 41 CO -0.02 0.67 -0.01 0.93 -1.40 0.00 0.00 179.01 179.19 3gkx h GLU 42 N 0.96 0.04 -1.00 2.33 5.08 -1.81 -3.02 114.58 117.16 3gkx h GLU 42 Ca 0.25 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 3gkx h GLU 42 Cb -0.02 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 3gkx h GLU 42 CO -0.04 0.41 0.66 -0.07 -1.00 0.00 0.00 179.01 178.96 3gkx h LEU 43 N -0.34 1.10 -1.34 1.33 3.38 -0.99 0.22 115.31 118.67 3gkx h LEU 43 Ca 0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3gkx h LEU 43 Cb 0.40 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3gkx h LEU 43 CO 0.00 0.76 -0.31 0.11 0.09 0.00 0.00 178.44 179.09 3gkx h LYS 44 N 1.28 0.00 0.14 1.13 1.57 -1.12 -1.56 116.57 118.01 3gkx h LYS 44 Ca 0.40 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.83 3gkx h LYS 44 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3gkx h LYS 44 CO -0.12 0.31 -1.81 0.00 -0.57 0.00 0.00 179.45 177.25 3gkx h ALA 45 N 1.69 0.33 -0.30 3.86 0.00 -1.31 -3.39 119.26 120.13 3gkx h ALA 45 Ca -0.00 -1.26 -0.14 0.00 0.00 0.00 0.00 54.91 53.51 3gkx h ALA 45 Cb 0.63 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3gkx h ALA 45 CO 0.04 1.20 -0.37 -1.49 0.00 0.00 0.00 179.25 178.62 3gkx h TRP 46 N 0.08 0.82 0.01 0.00 6.55 -0.42 -3.20 115.95 119.80 3gkx h TRP 46 Ca -0.36 -0.23 -0.00 0.00 0.95 0.00 0.00 58.89 59.25 3gkx h TRP 46 Cb 2.06 -0.18 0.00 0.00 -0.86 0.00 0.00 29.16 30.18 3gkx h TRP 46 CO 0.08 0.96 -0.01 0.82 -1.05 0.00 0.00 178.44 179.25 3gkx h ILE 47 N 0.57 1.19 -1.00 1.49 2.04 -1.49 -2.09 117.51 118.22 3gkx h ILE 47 Ca 0.05 -0.63 0.21 0.00 1.00 0.00 0.00 64.86 65.49 3gkx h ILE 47 Cb 0.90 1.62 -0.11 0.00 -0.74 0.00 0.00 36.82 38.49 3gkx h ILE 47 CO 0.08 0.16 0.61 -0.65 0.00 0.00 0.00 178.15 178.35 3gkx h PRO 48 N -0.29 0.68 0.00 2.37 0.11 -1.76 -2.62 132.00 130.49 3gkx h PRO 48 Ca -0.00 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 3gkx h PRO 48 Cb 0.28 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 3gkx h PRO 48 CO 0.00 0.45 -0.22 -0.07 -0.21 0.00 0.00 178.00 177.95 3gkx h LEU 49 N 0.70 0.00 0.00 2.35 4.07 -1.43 -3.01 115.31 117.98 3gkx h LEU 49 Ca 0.59 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.48 3gkx h LEU 49 Cb 1.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 3gkx h LEU 49 CO -0.39 0.22 -0.80 0.77 -1.08 0.00 0.00 178.44 177.15 3gkx h SER 50 N 0.00 0.00 -0.12 -0.43 4.64 -1.01 -3.12 113.55 113.51 3gkx h SER 50 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3gkx h SER 50 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 3gkx h SER 50 CO 0.03 0.29 -0.04 0.61 -0.87 0.00 0.00 176.83 176.84 3gkx n GLY 51 N 1.24 0.41 3.93 -0.77 0.00 -1.14 -4.91 105.19 103.95 3gkx n GLY 51 Ca -0.01 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 3gkx n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gkx s LEU 52 N -0.55 4.21 0.60 0.99 1.43 -1.26 -5.09 118.68 119.01 3gkx s LEU 52 Ca 0.00 0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 53.27 3gkx s LEU 52 Cb 0.00 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 3gkx s LEU 52 CO 0.00 -0.08 1.28 -2.16 0.23 0.00 0.00 176.35 175.62 3gkx s PRO 53 N -3.53 2.87 0.39 1.29 0.04 -1.26 -4.87 135.00 129.93 3gkx s PRO 53 Ca 0.38 2.01 0.14 0.00 0.04 0.00 0.00 61.00 63.57 3gkx s PRO 53 Cb -0.11 -1.99 0.98 0.00 0.04 0.00 0.00 34.50 33.42 3gkx s PRO 53 CO 0.30 -1.34 1.86 0.28 0.04 0.00 0.00 177.00 178.14 3gkx h VAL 54 N 0.91 0.74 -0.90 -0.36 2.07 -1.97 0.16 116.25 116.90 3gkx h VAL 54 Ca -0.51 -0.18 0.25 0.00 0.82 0.00 0.00 66.70 67.08 3gkx h VAL 54 Cb 1.31 0.17 -0.15 0.00 -1.52 0.00 0.00 31.29 31.11 3gkx h VAL 54 CO 0.55 0.09 0.26 0.50 0.02 0.00 0.00 177.57 178.99 3gkx h LYS 55 N 0.52 0.19 0.00 1.57 3.64 -1.97 -0.93 116.57 119.59 3gkx h LYS 55 Ca 0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 3gkx h LYS 55 Cb 0.98 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3gkx h LYS 55 CO -0.20 0.13 0.00 1.63 -2.27 0.00 0.00 179.45 178.74 3gkx n LYS 56 N -5.23 0.11 -0.08 1.90 4.76 0.54 -2.25 118.16 117.91 3gkx n LYS 56 Ca 0.23 0.19 0.09 0.00 -2.87 0.00 0.00 58.31 55.95 3gkx n LYS 56 Cb 0.73 -1.50 0.36 0.00 -1.84 0.00 0.00 35.03 32.77 3gkx n LYS 56 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3gkx n PHE 57 N -1.40 0.22 -3.33 2.13 3.72 -0.35 -4.78 117.46 113.66 3gkx n PHE 57 Ca 0.05 -0.11 -0.38 0.00 -0.05 0.00 0.00 57.45 56.97 3gkx n PHE 57 Cb 0.15 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 3gkx n PHE 57 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3gkx s PHE 58 N -1.78 3.56 -0.53 1.38 0.08 -0.95 -0.46 117.98 119.27 3gkx s PHE 58 Ca 0.30 0.93 -0.27 0.00 0.12 0.00 0.00 56.93 58.01 3gkx s PHE 58 Cb 0.16 -2.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 3gkx s PHE 58 CO 0.24 0.26 2.04 1.21 -0.10 0.00 0.00 175.22 178.86 3gkx s ASN 59 N 0.28 5.08 0.00 1.36 2.47 0.37 -4.24 114.94 120.26 3gkx s ASN 59 Ca 0.26 0.73 0.29 0.00 0.42 0.00 0.00 52.86 54.55 3gkx s ASN 59 Cb -0.16 -2.52 1.41 0.00 -1.45 0.00 0.00 41.25 38.54 3gkx s ASN 59 CO 0.11 -2.45 1.98 0.35 -3.72 0.00 0.00 177.10 173.37 3gkx n THR 60 N 7.50 0.07 0.12 -5.21 -2.24 -1.26 -2.46 114.28 110.79 3gkx n THR 60 Ca 0.26 0.02 0.10 0.00 -2.27 0.00 0.00 64.05 62.16 3gkx n THR 60 Cb 0.52 -0.54 0.20 0.00 -2.10 0.00 0.00 70.33 68.41 3gkx n THR 60 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3gkx n SER 61 N -1.31 3.26 -4.81 3.42 3.41 -1.26 -4.80 113.62 111.52 3gkx n SER 61 Ca 0.13 -1.93 -0.30 0.00 -0.26 0.00 0.00 58.87 56.50 3gkx n SER 61 Cb 0.24 -0.25 0.08 0.00 -0.26 0.00 0.00 64.21 64.02 3gkx n SER 61 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3gkx s GLY 62 N -1.25 1.63 0.07 5.00 0.00 -1.03 -4.95 107.32 106.80 3gkx s GLY 62 Ca 0.34 -0.15 -0.16 0.00 0.00 0.00 0.00 44.72 44.75 3gkx s GLY 62 CO 0.27 0.25 1.35 -2.08 0.00 0.00 0.00 173.10 172.88 3gkx h VAL 63 N -0.99 1.33 -0.34 1.40 2.07 -1.90 -2.44 116.25 115.38 3gkx h VAL 63 Ca -0.46 -1.58 -0.05 0.00 0.82 0.00 0.00 66.70 65.44 3gkx h VAL 63 Cb 1.26 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 3gkx h VAL 63 CO 0.59 0.49 0.04 0.58 0.02 0.00 0.00 177.57 179.28 3gkx h VAL 64 N 0.29 1.25 -0.74 2.57 2.07 -1.94 0.14 116.25 119.88 3gkx h VAL 64 Ca 0.01 -0.88 0.13 0.00 0.82 0.00 0.00 66.70 66.78 3gkx h VAL 64 Cb 0.95 1.15 -0.09 0.00 -1.52 0.00 0.00 31.29 31.79 3gkx h VAL 64 CO 0.08 0.29 0.32 0.22 0.02 0.00 0.00 177.57 178.51 3gkx h TYR 65 N 0.41 0.56 0.09 1.57 3.20 -1.82 0.19 116.97 121.17 3gkx h TYR 65 Ca 0.10 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.85 3gkx h TYR 65 Cb 0.39 -0.14 0.02 0.00 1.54 0.00 0.00 36.73 38.54 3gkx h TYR 65 CO 0.03 0.12 -0.65 0.87 -1.64 0.00 0.00 178.16 176.89 3gkx h LYS 66 N 0.50 0.29 -0.07 1.82 1.57 -0.97 -0.68 116.57 119.02 3gkx h LYS 66 Ca 0.40 -0.42 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 3gkx h LYS 66 Cb 0.55 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3gkx h LYS 66 CO -0.36 1.16 -0.55 0.93 -0.57 0.00 0.00 179.45 180.07 3gkx h GLU 67 N -0.38 0.21 -0.00 3.15 5.08 -0.41 -2.04 114.58 120.18 3gkx h GLU 67 Ca -0.11 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3gkx h GLU 67 Cb 1.46 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.72 3gkx h GLU 67 CO 0.12 0.70 -0.03 1.28 -1.00 0.00 0.00 179.01 180.08 3gkx n LEU 68 N -3.91 0.26 -3.58 1.33 4.77 0.65 -4.92 117.00 111.59 3gkx n LEU 68 Ca -0.02 0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.79 3gkx n LEU 68 Cb 0.57 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.59 3gkx n LEU 68 CO 0.43 0.05 -0.01 0.29 -1.33 0.00 0.00 177.39 176.81 3gkx n LYS 69 N -0.96 -4.75 0.18 3.23 5.02 -0.77 -4.81 118.16 115.30 3gkx n LYS 69 Ca 0.18 0.69 0.03 0.00 -2.02 0.00 0.00 58.31 57.19 3gkx n LYS 69 Cb 0.21 -5.33 0.35 0.00 -0.02 0.00 0.00 35.03 30.24 3gkx n LYS 69 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3gkx h LEU 70 N -1.79 0.00 -0.96 -0.35 3.38 -1.37 -1.71 115.31 112.50 3gkx h LEU 70 Ca -0.61 0.00 0.21 0.00 0.09 0.00 0.00 57.88 57.57 3gkx h LEU 70 Cb 1.35 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.98 3gkx h LEU 70 CO 0.53 0.39 0.54 0.77 0.09 0.00 0.00 178.44 180.76 3gkx h SER 71 N 0.00 0.62 0.20 -0.43 4.64 -1.91 -0.89 113.55 115.78 3gkx h SER 71 Ca -0.00 0.12 -0.35 0.00 -0.47 0.00 0.00 61.79 61.09 3gkx h SER 71 Cb 0.72 0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.80 3gkx h SER 71 CO 0.05 0.15 -2.01 -1.20 -0.87 0.00 0.00 176.83 172.95 3gkx n SER 72 N -4.88 1.59 -0.04 4.97 7.64 -1.19 -4.43 113.62 117.28 3gkx n SER 72 Ca 0.24 0.21 -0.03 0.00 1.01 0.00 0.00 58.87 60.30 3gkx n SER 72 Cb 0.64 -0.44 0.22 0.00 -1.01 0.00 0.00 64.21 63.63 3gkx n SER 72 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3gkx h LYS 73 N 0.04 0.63 -0.88 1.43 1.63 -0.77 -3.25 116.57 115.39 3gkx h LYS 73 Ca -0.42 -0.17 0.05 0.00 -0.85 0.00 0.00 60.65 59.27 3gkx h LYS 73 Cb 2.03 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 33.52 3gkx h LYS 73 CO 0.06 0.68 0.55 -0.07 -3.45 0.00 0.00 179.45 177.23 3gkx h LEU 74 N 0.59 0.89 -0.56 5.20 3.38 -1.39 -1.69 115.31 121.74 3gkx h LEU 74 Ca 0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3gkx h LEU 74 Cb 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3gkx h LEU 74 CO 0.02 0.58 0.00 -2.65 0.09 0.00 0.00 178.44 176.48 3gkx n PRO 75 N -4.58 0.12 -1.71 1.13 -0.02 -1.23 -4.72 135.00 124.00 3gkx n PRO 75 Ca 0.12 0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 61.70 3gkx n PRO 75 Cb 0.15 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 3gkx n PRO 75 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3gkx n THR 76 N -1.98 3.77 -4.44 3.45 -2.24 -0.64 -5.14 114.28 107.07 3gkx n THR 76 Ca 0.02 -3.60 -0.25 0.00 -2.27 0.00 0.00 64.05 57.95 3gkx n THR 76 Cb 0.17 -1.58 -0.09 0.00 -2.10 0.00 0.00 70.33 66.72 3gkx n THR 76 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3gkx s THR 78 N -2.82 2.53 0.21 4.28 -4.23 -1.26 -5.14 115.64 109.21 3gkx s THR 78 Ca 0.56 -2.17 -0.10 0.00 -1.18 0.00 0.00 61.69 58.80 3gkx s THR 78 Cb 0.36 -2.62 0.17 0.00 1.34 0.00 0.00 72.50 71.76 3gkx s THR 78 CO -0.24 -0.27 1.69 -0.33 -0.54 0.00 0.00 174.62 174.92 3gkx h GLU 79 N 2.01 0.19 -0.70 3.99 5.08 -1.99 -1.22 114.58 121.94 3gkx h GLU 79 Ca -0.42 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3gkx h GLU 79 Cb 1.25 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 3gkx h GLU 79 CO 0.66 0.12 0.45 1.49 -1.00 0.00 0.00 179.01 180.73 3gkx h GLU 80 N 0.19 0.93 -0.80 2.33 4.81 -2.03 -0.17 114.58 119.84 3gkx h GLU 80 Ca 0.31 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 3gkx h GLU 80 Cb 0.49 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 3gkx h GLU 80 CO -0.45 0.63 0.33 0.93 -0.73 0.00 0.00 179.01 179.72 3gkx h GLU 81 N 0.95 1.18 -0.49 1.92 5.08 -1.92 -1.69 114.58 119.60 3gkx h GLU 81 Ca 0.25 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3gkx h GLU 81 Cb -0.09 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 3gkx h GLU 81 CO -0.05 0.94 0.09 1.96 -1.00 0.00 0.00 179.01 180.94 3gkx h GLN 82 N 1.15 0.81 -0.54 2.33 4.20 -0.37 -2.09 115.11 120.60 3gkx h GLN 82 Ca 0.27 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 3gkx h GLN 82 Cb 0.19 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3gkx h GLN 82 CO -0.02 0.81 -0.06 0.82 -0.67 0.00 0.00 178.83 179.70 3gkx h ILE 83 N 0.69 1.27 -0.65 2.54 2.04 -0.95 -0.43 117.51 122.02 3gkx h ILE 83 Ca 0.15 -1.20 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 3gkx h ILE 83 Cb 0.38 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3gkx h ILE 83 CO 0.01 0.43 0.28 0.00 0.00 0.00 0.00 178.15 178.87 3gkx h ALA 84 N 0.94 0.84 0.10 1.87 0.00 -1.26 -1.56 119.26 120.18 3gkx h ALA 84 Ca 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gkx h ALA 84 Cb 0.62 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gkx h ALA 84 CO 0.04 0.43 -0.05 1.25 0.00 0.00 0.00 179.25 180.92 3gkx h LEU 85 N 0.90 -0.11 -0.95 0.00 5.85 -1.03 -3.06 115.31 116.91 3gkx h LEU 85 Ca 0.22 -0.10 0.16 0.00 0.84 0.00 0.00 57.88 59.00 3gkx h LEU 85 Cb 0.17 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.13 3gkx h LEU 85 CO -0.02 0.03 0.56 0.25 -0.34 0.00 0.00 178.44 178.91 3gkx h LEU 86 N -0.24 0.74 0.00 2.25 5.85 -1.01 -0.59 115.31 122.31 3gkx h LEU 86 Ca -0.01 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3gkx h LEU 86 Cb 0.20 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3gkx h LEU 86 CO 0.02 0.32 0.00 0.00 -0.34 0.00 0.00 178.44 178.44 3gkx n ALA 87 N -2.36 1.83 0.12 1.25 0.00 -0.59 -3.73 120.51 117.02 3gkx n ALA 87 Ca 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 53.44 53.57 3gkx n ALA 87 Cb 0.46 -1.29 0.03 0.00 0.00 0.00 0.00 19.45 18.65 3gkx n ALA 87 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3gkx h THR 88 N 0.00 1.19 -2.14 0.00 2.02 -1.04 -3.46 112.91 109.48 3gkx h THR 88 Ca 0.00 -2.52 -0.04 0.00 0.77 0.00 0.00 66.41 64.62 3gkx h THR 88 Cb 0.31 2.48 -0.22 0.00 -1.74 0.00 0.00 68.15 68.98 3gkx h THR 88 CO 0.00 0.64 0.02 0.21 0.37 0.00 0.00 175.52 176.77 3gkx s ASN 89 N -6.56 -0.74 0.46 4.18 3.84 -1.24 -5.05 114.94 109.82 3gkx s ASN 89 Ca 0.02 1.35 0.14 0.00 0.21 0.00 0.00 52.86 54.58 3gkx s ASN 89 Cb 0.09 1.32 1.10 0.00 -0.55 0.00 0.00 41.25 43.21 3gkx s ASN 89 CO 0.76 -0.23 2.05 1.23 -2.79 0.00 0.00 177.10 178.13 3gkx h GLY 90 N 5.73 0.34 2.00 1.21 0.00 -1.75 -2.44 103.07 108.15 3gkx h GLY 90 Ca -0.29 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3gkx h GLY 90 CO 0.12 0.09 -0.01 0.50 0.00 0.00 0.00 176.54 177.24 3gkx h LYS 91 N 0.28 0.00 0.00 4.80 1.57 -1.86 -2.09 116.57 119.27 3gkx h LYS 91 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3gkx h LYS 91 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3gkx h LYS 91 CO -0.03 0.01 0.00 1.28 -0.57 0.00 0.00 179.45 180.14 3gkx n LEU 92 N -3.18 0.71 -4.85 2.94 4.77 -0.92 -4.68 117.00 111.79 3gkx n LEU 92 Ca -0.02 0.66 -0.37 0.00 -0.03 0.00 0.00 56.01 56.25 3gkx n LEU 92 Cb 0.16 -0.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 3gkx n LEU 92 CO 0.24 -0.53 -0.11 -0.69 -1.33 0.00 0.00 177.39 174.97 3gkx s VAL 93 N -3.30 5.39 0.33 4.08 1.01 -0.79 -0.48 120.40 126.65 3gkx s VAL 93 Ca 0.05 0.35 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 3gkx s VAL 93 Cb 0.10 -3.48 -0.12 0.00 0.00 0.00 0.00 36.38 32.87 3gkx s VAL 93 CO 0.42 0.58 1.40 1.17 0.00 0.00 0.00 175.10 178.66 3gkx n LYS 94 N 2.18 2.33 -4.13 2.72 4.81 0.39 -4.04 118.16 122.42 3gkx n LYS 94 Ca -0.18 0.82 -0.14 0.00 -0.87 0.00 0.00 58.31 57.94 3gkx n LYS 94 Cb 0.54 -2.48 -0.11 0.00 0.02 0.00 0.00 35.03 33.00 3gkx n LYS 94 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3gkx s ARG 95 N -1.58 0.71 0.75 1.64 3.03 -1.26 -4.39 118.95 117.84 3gkx s ARG 95 Ca 0.57 -0.98 -0.11 0.00 2.03 0.00 0.00 55.73 57.25 3gkx s ARG 95 Cb -0.55 -0.45 0.04 0.00 -1.03 0.00 0.00 34.95 32.97 3gkx s ARG 95 CO 0.59 0.07 1.08 -1.25 -1.13 0.00 0.00 175.30 174.67 3gkx s PRO 96 N -2.23 2.49 -0.04 3.89 0.04 -1.26 -4.53 135.00 133.36 3gkx s PRO 96 Ca -0.01 0.84 0.06 0.00 0.04 0.00 0.00 61.00 61.93 3gkx s PRO 96 Cb -0.06 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 3gkx s PRO 96 CO 0.00 -1.39 -0.23 -0.51 0.04 0.00 0.00 177.00 174.91 3gkx s LEU 97 N -5.69 2.03 -0.13 -3.56 1.43 -0.62 0.15 118.68 112.29 3gkx s LEU 97 Ca 0.60 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3gkx s LEU 97 Cb -0.15 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 3gkx s LEU 97 CO 0.55 0.24 -0.09 -0.69 0.23 0.00 0.00 176.35 176.58 3gkx s VAL 98 N -0.23 3.40 -0.17 -1.59 1.01 -0.32 -1.03 120.40 121.47 3gkx s VAL 98 Ca -0.00 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3gkx s VAL 98 Cb -0.12 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.84 3gkx s VAL 98 CO 0.02 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 174.76 3gkx s VAL 99 N 0.14 2.00 0.46 2.92 1.01 0.05 -1.22 120.40 125.75 3gkx s VAL 99 Ca -0.05 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3gkx s VAL 99 Cb -0.14 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3gkx s VAL 99 CO 0.04 0.53 0.06 0.42 0.00 0.00 0.00 175.10 176.15 3gkx s THR 100 N 1.19 0.96 0.30 3.92 -4.23 -0.51 -1.13 115.64 116.15 3gkx s THR 100 Ca 0.02 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.57 3gkx s THR 100 Cb -0.14 -2.31 0.09 0.00 1.34 0.00 0.00 72.50 71.48 3gkx s THR 100 CO -0.10 0.00 1.76 -0.08 -0.54 0.00 0.00 174.62 175.66 3gkx h GLU 101 N 1.59 0.44 0.16 3.99 4.81 -2.00 -3.25 114.58 120.33 3gkx h GLU 101 Ca -0.40 -0.15 -0.30 0.00 -0.13 0.00 0.00 59.36 58.38 3gkx h GLU 101 Cb 1.29 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.65 3gkx h GLU 101 CO 0.67 0.64 -1.35 -0.09 -0.73 0.00 0.00 179.01 178.15 3gkx h ARG 102 N 0.40 0.35 -2.71 1.92 2.43 -1.98 -3.49 114.38 111.29 3gkx h ARG 102 Ca 0.06 -0.59 0.07 0.00 -0.81 0.00 0.00 59.98 58.72 3gkx h ARG 102 Cb 0.61 0.22 -0.10 0.00 -0.42 0.00 0.00 29.97 30.28 3gkx h ARG 102 CO 0.04 1.27 0.33 -0.59 -1.51 0.00 0.00 179.97 179.52 3gkx s PHE 103 N -2.64 -0.31 -0.07 2.20 -0.12 -1.23 -5.02 117.98 110.80 3gkx s PHE 103 Ca -0.06 0.03 0.03 0.00 -0.05 0.00 0.00 56.93 56.87 3gkx s PHE 103 Cb 0.06 0.62 0.01 0.00 -0.63 0.00 0.00 43.02 43.08 3gkx s PHE 103 CO 0.90 -0.90 -0.15 0.08 -0.05 0.00 0.00 175.22 175.10 3gkx s VAL 104 N -3.57 1.35 -0.07 -2.49 1.01 -1.18 -1.42 120.40 114.02 3gkx s VAL 104 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3gkx s VAL 104 Cb -0.03 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3gkx s VAL 104 CO -0.03 0.40 -0.05 -0.76 0.00 0.00 0.00 175.10 174.66 3gkx s LEU 105 N 0.58 3.28 -0.11 3.92 1.43 -0.36 -4.10 118.68 123.31 3gkx s LEU 105 Ca -0.15 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3gkx s LEU 105 Cb -0.16 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.34 3gkx s LEU 105 CO 0.05 0.36 -0.15 -0.69 0.23 0.00 0.00 176.35 176.15 3gkx s VAL 106 N -0.84 1.52 0.21 -1.59 1.01 -1.26 -1.18 120.40 118.26 3gkx s VAL 106 Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3gkx s VAL 106 Cb -0.11 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3gkx s VAL 106 CO 0.02 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3gkx n GLY 107 N 4.26 -2.01 3.07 4.51 0.00 0.12 -4.78 105.19 110.36 3gkx n GLY 107 Ca -0.19 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 3gkx n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gkx s PHE 108 N -2.22 3.67 -0.33 1.61 5.36 -1.26 -4.73 117.98 120.09 3gkx s PHE 108 Ca 0.00 -2.74 0.03 0.00 -0.96 0.00 0.00 56.93 53.27 3gkx s PHE 108 Cb 0.00 -3.07 0.09 0.00 -0.34 0.00 0.00 43.02 39.70 3gkx s PHE 108 CO 0.00 -0.96 0.02 0.15 -1.46 0.00 0.00 175.22 172.98 3gkx s LYS 109 N 0.97 1.69 0.35 10.12 -0.14 -1.26 -5.02 119.74 126.44 3gkx s LYS 109 Ca 0.10 -1.75 0.11 0.00 -1.36 0.00 0.00 55.97 53.07 3gkx s LYS 109 Cb -0.21 -3.16 0.91 0.00 -1.68 0.00 0.00 37.83 33.69 3gkx s LYS 109 CO -0.06 -0.86 1.78 -1.00 -0.76 0.00 0.00 175.35 174.45 3gkx h PRO 110 N 7.68 0.57 -0.61 -1.68 0.13 -1.99 -1.01 132.00 135.09 3gkx h PRO 110 Ca -0.08 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 3gkx h PRO 110 Cb 1.03 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 3gkx h PRO 110 CO 0.52 0.38 0.23 0.93 -0.23 0.00 0.00 178.00 179.83 3gkx h GLU 111 N 0.59 0.89 0.00 0.86 3.07 -2.03 -2.83 114.58 115.13 3gkx h GLU 111 Ca 0.58 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 59.23 3gkx h GLU 111 Cb 1.14 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 3gkx h GLU 111 CO -0.34 0.74 -0.28 1.05 -1.40 0.00 0.00 179.01 178.77 3gkx h GLU 112 N 0.88 0.00 -0.00 2.33 4.11 -1.62 -3.00 114.58 117.27 3gkx h GLU 112 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 3gkx h GLU 112 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3gkx h GLU 112 CO -0.02 0.28 0.00 0.91 0.07 0.00 0.00 179.01 180.26 3gkx n TRP 113 N -3.27 0.00 -0.04 2.06 7.02 -1.07 -3.39 117.44 118.76 3gkx n TRP 113 Ca 0.02 -0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.49 3gkx n TRP 113 Cb 0.56 0.00 0.28 0.00 -2.42 0.00 0.00 31.31 29.73 3gkx n TRP 113 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3gkx h GLU 114 N 0.02 0.61 -1.25 -0.99 4.39 -1.60 -2.38 114.58 113.37 3gkx h GLU 114 Ca 0.00 -0.12 0.36 0.00 0.34 0.00 0.00 59.36 59.95 3gkx h GLU 114 Cb 0.00 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.51 3gkx h GLU 114 CO 0.00 0.58 0.92 0.87 -1.16 0.00 0.00 179.01 180.22 3gkx h LYS 115 N 0.59 0.00 -0.38 2.33 1.57 -1.82 -2.13 116.57 116.72 3gkx h LYS 115 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3gkx h LYS 115 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3gkx h LYS 115 CO 0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 3gkx n LEU 116 N -4.11 0.38 0.00 2.94 4.77 -0.90 -5.15 117.00 114.93 3gkx n LEU 116 Ca 0.27 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3gkx n LEU 116 Cb 1.33 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 42.22 3gkx n LEU 116 CO 0.40 0.10 0.00 2.29 -1.33 0.00 0.00 177.39 178.85