#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gn1 s ALA 3 N 0.00 3.40 1.04 4.31 0.00 -1.26 -5.04 121.76 124.22 3gn1 s ALA 3 Ca 0.00 0.89 -0.15 0.00 0.00 0.00 0.00 51.96 52.70 3gn1 s ALA 3 Cb 0.00 -3.37 0.21 0.00 0.00 0.00 0.00 23.12 19.96 3gn1 s ALA 3 CO 0.00 -0.25 1.12 -1.25 0.00 0.00 0.00 175.76 175.38 3gn1 s PRO 4 N -0.63 0.08 -0.01 0.00 0.04 -1.26 -4.74 135.00 128.47 3gn1 s PRO 4 Ca 0.49 0.23 0.02 0.00 0.04 0.00 0.00 61.00 61.78 3gn1 s PRO 4 Cb -0.31 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3gn1 s PRO 4 CO 0.37 -2.90 -0.06 0.00 0.04 0.00 0.00 177.00 174.45 3gn1 s ALA 5 N -3.10 0.57 0.03 8.56 0.00 -1.26 -0.25 121.76 126.32 3gn1 s ALA 5 Ca 0.67 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 52.49 3gn1 s ALA 5 Cb -0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 3gn1 s ALA 5 CO 0.56 0.10 -0.23 0.00 0.00 0.00 0.00 175.76 176.19 3gn1 s ALA 6 N 0.12 1.92 -0.23 0.00 0.00 0.65 -0.94 121.76 123.29 3gn1 s ALA 6 Ca -0.01 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 3gn1 s ALA 6 Cb -0.06 -0.41 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 3gn1 s ALA 6 CO -0.00 0.45 0.13 0.08 0.00 0.00 0.00 175.76 176.42 3gn1 s VAL 7 N -0.74 5.14 -0.17 0.00 1.01 -0.15 0.16 120.40 125.66 3gn1 s VAL 7 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3gn1 s VAL 7 Cb -0.09 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3gn1 s VAL 7 CO 0.01 0.36 -0.16 -0.69 0.00 0.00 0.00 175.10 174.62 3gn1 s VAL 8 N 1.05 2.54 0.37 2.92 1.01 -0.78 -0.24 120.40 127.27 3gn1 s VAL 8 Ca 0.07 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 3gn1 s VAL 8 Cb -0.14 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 3gn1 s VAL 8 CO 0.04 0.51 0.75 0.42 0.00 0.00 0.00 175.10 176.82 3gn1 s THR 9 N 1.06 4.76 -1.33 3.92 -4.23 -0.81 -1.55 115.64 117.46 3gn1 s THR 9 Ca -0.01 0.72 -0.07 0.00 -1.18 0.00 0.00 61.69 61.15 3gn1 s THR 9 Cb -0.14 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.01 3gn1 s THR 9 CO -0.05 -0.39 0.52 0.61 -0.54 0.00 0.00 174.62 174.77 3gn1 n GLY 10 N -0.95 -0.44 1.06 3.99 0.00 -1.09 -3.06 105.19 104.70 3gn1 n GLY 10 Ca 0.03 0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.39 3gn1 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gn1 n ALA 11 N -4.38 2.42 -0.09 4.61 0.00 0.25 -4.14 120.51 119.18 3gn1 n ALA 11 Ca -0.25 -0.93 -0.04 0.00 0.00 0.00 0.00 53.44 52.23 3gn1 n ALA 11 Cb 0.66 -0.81 0.18 0.00 0.00 0.00 0.00 19.45 19.47 3gn1 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gn1 h ALA 12 N 4.29 1.13 -2.50 0.00 0.00 -1.89 -2.97 119.26 117.33 3gn1 h ALA 12 Ca 0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.43 3gn1 h ALA 12 Cb 0.95 -0.19 -0.15 0.00 0.00 0.00 0.00 17.79 18.40 3gn1 h ALA 12 CO 0.00 0.56 -0.63 0.15 0.00 0.00 0.00 179.25 179.32 3gn1 s LYS 13 N -4.97 1.07 5.64 0.00 1.02 -1.26 -4.51 119.74 116.73 3gn1 s LYS 13 Ca -0.09 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.36 3gn1 s LYS 13 Cb 0.15 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.69 3gn1 s LYS 13 CO 0.81 -0.32 0.00 0.54 -0.92 0.00 0.00 175.35 175.46 3gn1 n ARG 14 N -0.19 0.00 -0.15 1.68 1.74 -1.26 -1.69 116.66 116.79 3gn1 n ARG 14 Ca -0.02 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.98 3gn1 n ARG 14 Cb 0.65 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.10 3gn1 n ARG 14 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3gn1 h ILE 15 N 0.00 1.15 -0.43 0.55 2.04 -1.91 -2.24 117.51 116.67 3gn1 h ILE 15 Ca 0.00 -0.37 0.07 0.00 1.00 0.00 0.00 64.86 65.56 3gn1 h ILE 15 Cb 0.00 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 3gn1 h ILE 15 CO 0.00 0.16 0.08 1.23 0.00 0.00 0.00 178.15 179.61 3gn1 h GLY 16 N 0.61 0.50 0.83 5.37 0.00 -1.68 -0.25 103.07 108.44 3gn1 h GLY 16 Ca 0.16 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.50 3gn1 h GLY 16 CO -0.03 -0.05 0.11 -0.09 0.00 0.00 0.00 176.54 176.48 3gn1 h ARG 17 N 0.20 0.23 -0.81 4.80 2.43 -1.05 -1.38 114.38 118.80 3gn1 h ARG 17 Ca 0.21 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 3gn1 h ARG 17 Cb 0.27 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 3gn1 h ARG 17 CO -0.28 0.15 0.54 0.00 -1.51 0.00 0.00 179.97 178.87 3gn1 h ALA 18 N 1.15 1.04 0.13 2.80 0.00 -0.94 -1.07 119.26 122.37 3gn1 h ALA 18 Ca 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3gn1 h ALA 18 Cb 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3gn1 h ALA 18 CO -0.10 0.42 -0.15 0.82 0.00 0.00 0.00 179.25 180.24 3gn1 h ILE 19 N 1.09 0.66 -0.43 0.00 2.04 -0.69 -0.81 117.51 119.35 3gn1 h ILE 19 Ca 0.30 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.22 3gn1 h ILE 19 Cb -0.10 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 3gn1 h ILE 19 CO -0.07 0.00 0.14 0.00 0.00 0.00 0.00 178.15 178.21 3gn1 h ALA 20 N 0.52 0.51 -0.24 1.87 0.00 -1.03 0.20 119.26 121.09 3gn1 h ALA 20 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3gn1 h ALA 20 Cb 0.31 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3gn1 h ALA 20 CO -0.06 -0.26 0.12 0.28 0.00 0.00 0.00 179.25 179.33 3gn1 h VAL 21 N 0.29 1.13 -0.53 0.00 2.07 -1.08 -0.56 116.25 117.57 3gn1 h VAL 21 Ca 0.21 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 3gn1 h VAL 21 Cb 0.22 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3gn1 h VAL 21 CO -0.23 0.12 -0.12 0.11 0.02 0.00 0.00 177.57 177.48 3gn1 h LYS 22 N 0.26 1.00 -0.28 1.57 1.57 -0.94 -0.11 116.57 119.64 3gn1 h LYS 22 Ca 0.08 -0.37 0.04 0.00 -1.87 0.00 0.00 60.65 58.53 3gn1 h LYS 22 Cb 0.09 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3gn1 h LYS 22 CO -0.01 1.05 0.06 -0.07 -0.57 0.00 0.00 179.45 179.91 3gn1 h LEU 23 N 0.89 0.02 -0.49 2.94 3.38 -0.50 -1.74 115.31 119.81 3gn1 h LEU 23 Ca 0.14 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.20 3gn1 h LEU 23 Cb 0.68 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 3gn1 h LEU 23 CO 0.05 0.04 0.23 -0.74 0.09 0.00 0.00 178.44 178.11 3gn1 h HIS 24 N 0.16 0.41 -0.33 1.13 2.76 -0.78 -1.75 115.15 116.76 3gn1 h HIS 24 Ca 0.13 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 3gn1 h HIS 24 Cb 0.13 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 3gn1 h HIS 24 CO -0.16 0.19 0.22 1.96 -1.30 0.00 0.00 177.93 178.83 3gn1 h GLN 25 N 0.45 0.32 0.00 5.26 4.20 -0.85 -1.64 115.11 122.85 3gn1 h GLN 25 Ca 0.22 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3gn1 h GLN 25 Cb 0.16 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3gn1 h GLN 25 CO -0.18 0.21 0.00 1.15 -0.67 0.00 0.00 178.83 179.35 3gn1 h THR 26 N 0.33 0.00 0.00 -0.54 2.02 -0.71 -3.47 112.91 110.55 3gn1 h THR 26 Ca 0.13 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3gn1 h THR 26 Cb 0.12 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3gn1 h THR 26 CO -0.03 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.47 3gn1 n GLY 27 N 0.72 1.21 3.75 2.16 0.00 -0.62 -5.10 105.19 107.31 3gn1 n GLY 27 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3gn1 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gn1 s TYR 28 N -1.96 3.79 0.35 1.61 1.51 -0.72 -4.23 117.35 117.71 3gn1 s TYR 28 Ca 0.00 1.80 -0.25 0.00 -1.01 0.00 0.00 57.07 57.61 3gn1 s TYR 28 Cb 0.00 -3.12 -0.10 0.00 -0.11 0.00 0.00 41.96 38.63 3gn1 s TYR 28 CO 0.00 -0.02 0.94 1.03 -1.11 0.00 0.00 175.55 176.39 3gn1 s ARG 29 N -1.01 4.48 -0.05 -0.62 0.52 0.66 -4.00 118.95 118.93 3gn1 s ARG 29 Ca 0.44 1.27 0.03 0.00 -0.52 0.00 0.00 55.73 56.95 3gn1 s ARG 29 Cb -0.28 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.56 3gn1 s ARG 29 CO 0.35 0.20 -0.15 0.08 0.02 0.00 0.00 175.30 175.80 3gn1 s VAL 30 N -1.77 1.26 -0.28 3.52 1.01 -0.03 -0.25 120.40 123.86 3gn1 s VAL 30 Ca 0.53 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 3gn1 s VAL 30 Cb -0.16 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3gn1 s VAL 30 CO 0.21 0.38 0.38 -0.69 0.00 0.00 0.00 175.10 175.37 3gn1 s VAL 31 N 0.32 5.17 -0.62 2.92 1.01 0.12 -1.80 120.40 127.52 3gn1 s VAL 31 Ca -0.09 0.52 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 3gn1 s VAL 31 Cb -0.13 -3.72 0.13 0.00 0.00 0.00 0.00 36.38 32.66 3gn1 s VAL 31 CO 0.03 0.12 0.65 -0.63 0.00 0.00 0.00 175.10 175.27 3gn1 s ILE 32 N 2.08 5.09 0.25 2.22 1.01 0.81 -1.86 121.20 130.80 3gn1 s ILE 32 Ca 0.15 -1.44 -0.27 0.00 0.00 0.00 0.00 60.65 59.09 3gn1 s ILE 32 Cb -0.16 -4.44 -0.09 0.00 0.01 0.00 0.00 42.46 37.78 3gn1 s ILE 32 CO 0.10 -1.03 0.90 -2.28 0.00 0.00 0.00 174.94 172.63 3gn1 s HIS 33 N 1.89 3.86 0.07 3.97 5.65 -0.60 -1.68 115.29 128.46 3gn1 s HIS 33 Ca 0.10 1.79 -0.06 0.00 0.25 0.00 0.00 55.06 57.14 3gn1 s HIS 33 Cb -0.24 -2.90 -0.01 0.00 -1.18 0.00 0.00 32.58 28.25 3gn1 s HIS 33 CO 0.02 0.39 0.11 1.52 -0.65 0.00 0.00 174.74 176.13 3gn1 s TYR 34 N -1.33 0.27 0.00 3.88 -0.85 -0.88 -0.58 117.35 117.85 3gn1 s TYR 34 Ca 0.43 -0.72 0.00 0.00 -0.52 0.00 0.00 57.07 56.26 3gn1 s TYR 34 Cb -0.23 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 41.95 3gn1 s TYR 34 CO 0.28 -0.47 0.00 1.58 -1.52 0.00 0.00 175.55 175.41 3gn1 n HIS 35 N 0.09 0.00 -0.02 -3.49 -0.00 -1.26 -2.00 115.22 108.54 3gn1 n HIS 35 Ca -0.15 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.65 3gn1 n HIS 35 Cb 0.61 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.46 3gn1 n HIS 35 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3gn1 n ASN 36 N -2.25 0.63 -3.68 0.26 3.02 -1.26 -4.74 115.26 107.24 3gn1 n ASN 36 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 3gn1 n ASN 36 Cb 0.00 1.80 -0.00 0.00 -0.61 0.00 0.00 39.78 40.97 3gn1 n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3gn1 n SER 37 N -2.20 6.41 -0.09 6.41 7.64 -1.26 -4.74 113.62 125.78 3gn1 n SER 37 Ca -0.06 -3.09 -0.11 0.00 1.01 0.00 0.00 58.87 56.63 3gn1 n SER 37 Cb 0.55 -1.44 -0.04 0.00 -1.01 0.00 0.00 64.21 62.27 3gn1 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gn1 h ALA 38 N 5.26 0.38 -0.64 -0.43 0.00 -1.96 -2.33 119.26 119.53 3gn1 h ALA 38 Ca 0.55 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.26 3gn1 h ALA 38 Cb 0.48 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3gn1 h ALA 38 CO 1.59 0.12 0.39 1.49 0.00 0.00 0.00 179.25 182.84 3gn1 h GLU 39 N 0.28 0.75 -0.64 0.00 4.81 -2.00 -1.66 114.58 116.12 3gn1 h GLU 39 Ca 0.08 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 3gn1 h GLU 39 Cb 0.43 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3gn1 h GLU 39 CO 0.01 0.49 0.04 0.00 -0.73 0.00 0.00 179.01 178.83 3gn1 h ALA 40 N 1.28 0.86 -0.25 2.92 0.00 -1.88 -0.63 119.26 121.56 3gn1 h ALA 40 Ca 0.26 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3gn1 h ALA 40 Cb 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3gn1 h ALA 40 CO -0.11 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 179.77 3gn1 h ALA 41 N 1.01 0.35 -0.35 0.00 0.00 -1.09 -1.06 119.26 118.13 3gn1 h ALA 41 Ca 0.19 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3gn1 h ALA 41 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3gn1 h ALA 41 CO 0.03 0.14 0.09 0.28 0.00 0.00 0.00 179.25 179.78 3gn1 h VAL 42 N 0.23 1.22 -0.62 0.00 2.07 -1.30 -0.16 116.25 117.70 3gn1 h VAL 42 Ca 0.07 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.90 3gn1 h VAL 42 Cb 0.51 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 3gn1 h VAL 42 CO 0.02 0.25 0.35 -1.28 0.02 0.00 0.00 177.57 176.93 3gn1 h SER 43 N 0.41 0.52 0.32 0.57 0.87 -1.02 0.40 113.55 115.62 3gn1 h SER 43 Ca 0.11 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 3gn1 h SER 43 Cb 0.29 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3gn1 h SER 43 CO 0.00 0.35 -0.16 0.25 -0.53 0.00 0.00 176.83 176.74 3gn1 h LEU 44 N 0.66 -0.37 -0.52 2.23 5.85 -1.00 -1.93 115.31 120.23 3gn1 h LEU 44 Ca 0.27 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.11 3gn1 h LEU 44 Cb 0.13 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.16 3gn1 h LEU 44 CO -0.16 -0.26 -0.11 0.00 -0.34 0.00 0.00 178.44 177.57 3gn1 h ALA 45 N 0.25 0.36 -0.68 1.25 0.00 -0.71 -0.98 119.26 118.76 3gn1 h ALA 45 Ca -0.04 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3gn1 h ALA 45 Cb 0.33 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3gn1 h ALA 45 CO 0.07 -0.43 0.42 -0.44 0.00 0.00 0.00 179.25 178.87 3gn1 h ASP 46 N 0.01 0.69 -0.07 0.00 3.32 -0.82 0.16 116.42 119.71 3gn1 h ASP 46 Ca 0.25 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.31 3gn1 h ASP 46 Cb 0.38 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3gn1 h ASP 46 CO -0.52 0.48 0.01 -0.08 -1.72 0.00 0.00 179.24 177.40 3gn1 h GLU 47 N 0.83 0.03 -0.52 3.56 4.81 -0.60 -0.55 114.58 122.14 3gn1 h GLU 47 Ca 0.27 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.38 3gn1 h GLU 47 Cb 0.02 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3gn1 h GLU 47 CO -0.11 0.02 -0.13 -0.07 -0.73 0.00 0.00 179.01 177.99 3gn1 h LEU 48 N 0.04 1.02 -1.29 1.64 3.38 -0.87 -2.32 115.31 116.91 3gn1 h LEU 48 Ca 0.03 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 3gn1 h LEU 48 Cb 0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3gn1 h LEU 48 CO -0.05 1.15 -0.35 0.78 0.09 0.00 0.00 178.44 180.06 3gn1 h ASN 49 N 0.88 0.00 -0.67 -0.43 2.35 -0.63 -1.37 115.58 115.71 3gn1 h ASN 49 Ca 0.13 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3gn1 h ASN 49 Cb 0.71 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 3gn1 h ASN 49 CO 0.05 0.35 0.34 0.50 -1.65 0.00 0.00 177.43 177.03 3gn1 h LYS 50 N 0.00 0.96 -0.40 0.81 3.64 -0.92 -2.76 116.57 117.90 3gn1 h LYS 50 Ca -0.00 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 3gn1 h LYS 50 Cb 0.65 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3gn1 h LYS 50 CO 0.05 0.74 0.12 1.49 -2.27 0.00 0.00 179.45 179.58 3gn1 h GLU 51 N 0.93 0.62 -2.47 1.90 4.22 -0.82 -3.43 114.58 115.53 3gn1 h GLU 51 Ca 0.23 -0.14 -0.08 0.00 0.08 0.00 0.00 59.36 59.46 3gn1 h GLU 51 Cb 0.09 -0.09 -0.26 0.00 0.50 0.00 0.00 28.75 28.99 3gn1 h GLU 51 CO -0.03 0.63 -0.30 0.50 -2.18 0.00 0.00 179.01 177.62 3gn1 s ARG 52 N -5.39 0.39 0.47 1.92 3.52 -0.58 -5.11 118.95 114.17 3gn1 s ARG 52 Ca -0.13 1.01 -0.23 0.00 -0.13 0.00 0.00 55.73 56.25 3gn1 s ARG 52 Cb 0.10 0.26 -0.07 0.00 -1.56 0.00 0.00 34.95 33.68 3gn1 s ARG 52 CO 0.76 -0.21 1.24 -1.12 -0.81 0.00 0.00 175.30 175.15 3gn1 s SER 53 N 2.22 6.01 -1.40 -2.12 0.01 -1.05 -3.43 113.70 113.94 3gn1 s SER 53 Ca -0.05 2.48 -0.10 0.00 1.31 0.00 0.00 55.95 59.59 3gn1 s SER 53 Cb -0.10 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.53 3gn1 s SER 53 CO -0.14 -1.04 1.14 0.59 0.41 0.00 0.00 173.24 174.20 3gn1 n ASN 54 N -0.46 -5.94 -0.10 2.44 3.02 -1.26 -4.90 115.26 108.06 3gn1 n ASN 54 Ca 0.07 -0.60 0.02 0.00 -0.03 0.00 0.00 54.58 54.05 3gn1 n ASN 54 Cb 0.46 -4.78 -0.00 0.00 -0.61 0.00 0.00 39.78 34.85 3gn1 n ASN 54 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3gn1 n THR 55 N -4.92 0.00 -3.82 3.41 -2.24 -1.22 -5.03 114.28 100.45 3gn1 n THR 55 Ca 0.01 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 3gn1 n THR 55 Cb 0.55 1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 69.70 3gn1 n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gn1 s ALA 56 N -0.95 -0.21 0.10 6.98 0.00 -1.26 -0.85 121.76 125.56 3gn1 s ALA 56 Ca 0.04 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.34 3gn1 s ALA 56 Cb 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3gn1 s ALA 56 CO 0.13 -0.06 -0.07 0.14 0.00 0.00 0.00 175.76 175.89 3gn1 s VAL 57 N 0.27 0.75 0.32 0.00 -7.23 -0.74 -4.91 120.40 108.86 3gn1 s VAL 57 Ca -0.02 -1.81 0.08 0.00 -1.81 0.00 0.00 61.98 58.42 3gn1 s VAL 57 Cb -0.03 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 3gn1 s VAL 57 CO -0.01 -0.77 0.16 0.68 -0.31 0.00 0.00 175.10 174.86 3gn1 s VAL 58 N -3.19 3.35 -0.24 1.32 -7.23 -1.26 -0.13 120.40 113.01 3gn1 s VAL 58 Ca 0.09 -1.62 -0.07 0.00 -1.81 0.00 0.00 61.98 58.57 3gn1 s VAL 58 Cb 0.02 -3.05 0.12 0.00 0.56 0.00 0.00 36.38 34.02 3gn1 s VAL 58 CO -0.03 -0.22 0.50 0.00 -0.31 0.00 0.00 175.10 175.04 3gn1 s GLN 60 N 2.72 4.07 -0.28 0.00 -0.44 -1.26 -2.08 119.66 122.39 3gn1 s GLN 60 Ca -0.00 0.41 -0.25 0.00 -2.50 0.00 0.00 55.36 53.02 3gn1 s GLN 60 Cb -0.13 -3.29 0.09 0.00 -1.64 0.00 0.00 33.01 28.04 3gn1 s GLN 60 CO -0.16 0.52 0.86 0.00 0.50 0.00 0.00 175.29 177.01 3gn1 s ALA 61 N -0.52 -1.87 -0.13 1.58 0.00 -0.85 -4.96 121.76 115.01 3gn1 s ALA 61 Ca 0.24 1.97 -0.25 0.00 0.00 0.00 0.00 51.96 53.92 3gn1 s ALA 61 Cb -0.16 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 3gn1 s ALA 61 CO 0.12 -0.29 0.82 0.34 0.00 0.00 0.00 175.76 176.74 3gn1 s ASP 62 N 0.35 7.00 0.00 0.00 -1.08 -1.26 -4.20 116.67 117.47 3gn1 s ASP 62 Ca 0.01 1.22 0.21 0.00 -0.52 0.00 0.00 52.55 53.47 3gn1 s ASP 62 Cb -0.05 -2.46 0.47 0.00 -1.46 0.00 0.00 42.92 39.42 3gn1 s ASP 62 CO -0.03 -0.33 1.40 0.18 0.52 0.00 0.00 175.17 176.92 3gn1 n LEU 63 N 4.81 3.49 -4.67 -1.34 4.77 -1.26 -4.93 117.00 117.87 3gn1 n LEU 63 Ca 0.03 -1.72 -0.44 0.00 -0.03 0.00 0.00 56.01 53.85 3gn1 n LEU 63 Cb 0.49 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3gn1 n LEU 63 CO 0.48 0.81 0.96 0.41 -1.33 0.00 0.00 177.39 178.72 3gn1 n THR 64 N 1.37 1.23 -1.73 -5.08 -1.04 -1.26 -3.05 114.28 104.72 3gn1 n THR 64 Ca 0.19 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.05 61.48 3gn1 n THR 64 Cb 0.57 -1.45 -0.02 0.00 -1.82 0.00 0.00 70.33 67.61 3gn1 n THR 64 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3gn1 n ASN 65 N 1.80 3.87 -3.05 8.00 4.05 -0.24 -4.73 115.26 124.97 3gn1 n ASN 65 Ca 0.10 1.12 -0.06 0.00 0.45 0.00 0.00 54.58 56.19 3gn1 n ASN 65 Cb 0.32 -1.58 0.02 0.00 1.23 0.00 0.00 39.78 39.78 3gn1 n ASN 65 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3gn1 s SER 66 N 0.70 0.02 0.59 1.20 1.04 -1.26 -4.84 113.70 111.16 3gn1 s SER 66 Ca 0.68 -0.98 0.29 0.00 0.48 0.00 0.00 55.95 56.41 3gn1 s SER 66 Cb -0.50 0.71 1.55 0.00 0.10 0.00 0.00 66.02 67.88 3gn1 s SER 66 CO 0.43 -1.42 1.98 -0.55 0.98 0.00 0.00 173.24 174.67 3gn1 h ASN 67 N 2.00 0.00 -0.01 7.02 -1.07 -2.05 -2.44 115.58 119.03 3gn1 h ASN 67 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.06 3gn1 h ASN 67 Cb 1.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 3gn1 h ASN 67 CO 0.40 0.00 -0.46 1.33 0.07 0.00 0.00 177.43 178.77 3gn1 n VAL 68 N -3.71 0.00 -0.17 6.14 0.24 -1.26 -4.54 118.33 115.03 3gn1 n VAL 68 Ca 0.05 -0.27 -0.05 0.00 -2.04 0.00 0.00 64.34 62.03 3gn1 n VAL 68 Cb 0.52 1.21 0.04 0.00 -1.47 0.00 0.00 33.84 34.14 3gn1 n VAL 68 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3gn1 h LEU 69 N 1.95 0.45 -0.91 1.34 5.85 -1.72 -1.55 115.31 120.72 3gn1 h LEU 69 Ca 0.00 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.82 3gn1 h LEU 69 Cb 0.64 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 3gn1 h LEU 69 CO 0.00 0.31 0.56 -0.65 -0.34 0.00 0.00 178.44 178.32 3gn1 h PRO 70 N 0.57 0.93 -0.60 5.25 0.11 -1.80 -0.27 132.00 136.20 3gn1 h PRO 70 Ca 0.22 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 3gn1 h PRO 70 Cb 0.07 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 30.94 3gn1 h PRO 70 CO -0.12 0.62 0.28 0.00 -0.21 0.00 0.00 178.00 178.56 3gn1 h ALA 71 N 1.46 0.78 -0.33 -0.75 0.00 -1.76 -0.60 119.26 118.06 3gn1 h ALA 71 Ca 0.42 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3gn1 h ALA 71 Cb 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3gn1 h ALA 71 CO -0.22 0.36 0.19 0.77 0.00 0.00 0.00 179.25 180.35 3gn1 h SER 72 N 0.83 0.31 -0.52 0.00 0.02 -0.26 -1.16 113.55 112.77 3gn1 h SER 72 Ca 0.21 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 3gn1 h SER 72 Cb 0.14 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3gn1 h SER 72 CO -0.02 0.23 0.14 0.00 -1.14 0.00 0.00 176.83 176.03 3gn1 h GLU 74 N 0.71 0.42 -0.14 0.00 4.39 -0.95 -2.39 114.58 116.61 3gn1 h GLU 74 Ca 0.16 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.67 3gn1 h GLU 74 Cb 0.31 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3gn1 h GLU 74 CO -0.00 0.28 -0.62 1.49 -1.16 0.00 0.00 179.01 178.99 3gn1 h GLU 75 N 0.43 0.51 0.02 2.33 4.57 -0.61 0.66 114.58 122.48 3gn1 h GLU 75 Ca 0.42 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3gn1 h GLU 75 Cb 0.65 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 3gn1 h GLU 75 CO -0.42 0.97 -0.01 0.82 -1.18 0.00 0.00 179.01 179.20 3gn1 h ILE 76 N 0.37 1.04 -0.22 2.32 2.04 -0.86 -0.15 117.51 122.05 3gn1 h ILE 76 Ca -0.01 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3gn1 h ILE 76 Cb 1.18 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 3gn1 h ILE 76 CO 0.11 0.04 0.11 0.40 0.00 0.00 0.00 178.15 178.81 3gn1 h ILE 77 N -0.09 1.00 -0.52 -0.67 1.08 -1.38 -2.74 117.51 114.19 3gn1 h ILE 77 Ca -0.00 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 64.44 3gn1 h ILE 77 Cb 0.08 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 3gn1 h ILE 77 CO 0.00 0.04 0.35 0.78 -0.69 0.00 0.00 178.15 178.63 3gn1 h ASN 78 N 0.24 0.44 0.32 1.72 2.35 -0.72 -1.73 115.58 118.19 3gn1 h ASN 78 Ca 0.09 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.77 3gn1 h ASN 78 Cb 0.02 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3gn1 h ASN 78 CO -0.06 0.29 -0.32 0.77 -1.65 0.00 0.00 177.43 176.46 3gn1 h SER 79 N 0.50 0.00 -0.15 5.81 4.64 -0.71 0.61 113.55 124.26 3gn1 h SER 79 Ca 0.22 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.49 3gn1 h SER 79 Cb 0.24 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3gn1 h SER 79 CO -0.06 0.32 -0.09 0.00 -0.87 0.00 0.00 176.83 176.13 3gn1 h PHE 81 N -0.01 0.80 -0.71 0.00 -1.00 -1.33 0.18 116.94 114.87 3gn1 h PHE 81 Ca 0.03 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.78 3gn1 h PHE 81 Cb 0.58 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.84 3gn1 h PHE 81 CO 0.07 0.50 0.22 0.00 -1.61 0.00 0.00 178.31 177.49 3gn1 h ARG 82 N 0.86 1.10 0.00 1.51 3.08 -0.84 0.17 114.38 120.26 3gn1 h ARG 82 Ca 0.24 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3gn1 h ARG 82 Cb -0.08 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 29.81 3gn1 h ARG 82 CO -0.06 0.93 -0.30 0.00 -1.07 0.00 0.00 179.97 179.47 3gn1 h ALA 83 N 1.18 0.03 0.00 0.04 0.00 -1.14 -3.42 119.26 115.96 3gn1 h ALA 83 Ca 0.23 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3gn1 h ALA 83 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gn1 h ALA 83 CO -0.01 0.12 0.00 1.19 0.00 0.00 0.00 179.25 180.56 3gn1 n PHE 84 N -4.46 0.00 -0.93 0.00 0.99 0.62 -5.01 117.46 108.67 3gn1 n PHE 84 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.35 3gn1 n PHE 84 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.01 3gn1 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3gn1 n GLY 85 N 0.72 0.89 3.68 1.37 0.00 0.60 -4.97 105.19 107.49 3gn1 n GLY 85 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3gn1 n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gn1 s ARG 86 N -0.07 1.58 -0.27 1.61 1.70 -1.26 -4.93 118.95 117.31 3gn1 s ARG 86 Ca 0.00 -0.88 -0.00 0.00 -0.47 0.00 0.00 55.73 54.37 3gn1 s ARG 86 Cb 0.00 0.58 0.15 0.00 -0.57 0.00 0.00 34.95 35.10 3gn1 s ARG 86 CO 0.00 -0.70 0.39 0.00 -1.08 0.00 0.00 175.30 173.90 3gn1 n ASP 88 N 5.36 0.88 -3.99 0.00 9.92 -0.11 -4.95 116.55 123.65 3gn1 n ASP 88 Ca -0.01 0.01 -0.20 0.00 -0.53 0.00 0.00 54.79 54.05 3gn1 n ASP 88 Cb 0.49 0.31 -0.16 0.00 -0.64 0.00 0.00 41.12 41.13 3gn1 n ASP 88 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3gn1 s VAL 89 N -2.51 0.76 -0.15 2.53 1.01 -0.92 -1.66 120.40 119.45 3gn1 s VAL 89 Ca -0.19 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3gn1 s VAL 89 Cb 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.77 3gn1 s VAL 89 CO 0.75 0.24 -0.19 -0.22 0.00 0.00 0.00 175.10 175.68 3gn1 s LEU 90 N 0.27 2.27 -0.30 3.92 2.96 -0.63 -0.98 118.68 126.20 3gn1 s LEU 90 Ca -0.04 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 53.27 3gn1 s LEU 90 Cb -0.09 -1.50 0.03 0.00 0.50 0.00 0.00 46.19 45.13 3gn1 s LEU 90 CO 0.01 0.08 0.05 -0.69 -1.32 0.00 0.00 176.35 174.48 3gn1 s VAL 91 N 0.82 3.58 -0.78 1.68 1.01 0.67 -0.33 120.40 127.05 3gn1 s VAL 91 Ca -0.06 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.70 3gn1 s VAL 91 Cb -0.15 -2.94 0.10 0.00 0.00 0.00 0.00 36.38 33.39 3gn1 s VAL 91 CO -0.01 -0.02 1.04 0.20 0.00 0.00 0.00 175.10 176.30 3gn1 s ASN 92 N 1.40 6.37 -0.06 3.32 0.01 0.53 -1.93 114.94 124.59 3gn1 s ASN 92 Ca -0.01 -1.47 0.03 0.00 -0.71 0.00 0.00 52.86 50.70 3gn1 s ASN 92 Cb -0.18 -2.41 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 3gn1 s ASN 92 CO 0.01 -1.27 -0.02 -3.20 -1.51 0.00 0.00 177.10 171.11 3gn1 n ASN 93 N 7.20 3.61 -4.74 -1.22 5.15 -1.26 -0.35 115.26 123.66 3gn1 n ASN 93 Ca 0.09 -0.02 -0.42 0.00 -0.60 0.00 0.00 54.58 53.63 3gn1 n ASN 93 Cb 0.47 0.30 -0.01 0.00 -0.53 0.00 0.00 39.78 40.01 3gn1 n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gn1 n ALA 94 N -2.42 2.14 -3.62 5.20 0.00 -1.17 -4.88 120.51 115.76 3gn1 n ALA 94 Ca -0.10 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.61 3gn1 n ALA 94 Cb 0.65 -2.40 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 3gn1 n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gn1 s SER 95 N 0.17 -0.79 0.12 0.00 0.15 -1.26 -4.43 113.70 107.66 3gn1 s SER 95 Ca 0.60 1.36 -0.12 0.00 0.70 0.00 0.00 55.95 58.49 3gn1 s SER 95 Cb -0.52 1.29 -0.06 0.00 -1.71 0.00 0.00 66.02 65.01 3gn1 s SER 95 CO 0.55 -0.23 0.48 0.00 1.20 0.00 0.00 173.24 175.24 3gn1 s ALA 96 N 1.12 3.65 -0.27 5.45 0.00 -1.26 -5.04 121.76 125.41 3gn1 s ALA 96 Ca -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 3gn1 s ALA 96 Cb -0.05 -2.39 0.16 0.00 0.00 0.00 0.00 23.12 20.83 3gn1 s ALA 96 CO -0.11 0.51 0.46 0.12 0.00 0.00 0.00 175.76 176.74 3gn1 s PHE 97 N -1.46 -1.12 -0.04 0.00 2.19 -1.26 -4.85 117.98 111.44 3gn1 s PHE 97 Ca 0.36 1.06 -0.29 0.00 0.33 0.00 0.00 56.93 58.39 3gn1 s PHE 97 Cb -0.14 0.18 0.11 0.00 -1.31 0.00 0.00 43.02 41.85 3gn1 s PHE 97 CO 0.19 -0.81 0.90 1.52 1.83 0.00 0.00 175.22 178.85 3gn1 s TYR 98 N 2.65 -0.37 0.53 10.12 -0.85 -1.26 -5.17 117.35 123.00 3gn1 s TYR 98 Ca 0.15 0.37 -0.20 0.00 -0.52 0.00 0.00 57.07 56.87 3gn1 s TYR 98 Cb -0.15 0.51 -0.06 0.00 0.38 0.00 0.00 41.96 42.64 3gn1 s TYR 98 CO -0.19 -0.50 1.12 -1.25 -1.52 0.00 0.00 175.55 173.20 3gn1 s PRO 99 N -2.53 3.47 -0.41 -3.49 0.04 -1.26 -4.71 135.00 126.11 3gn1 s PRO 99 Ca 0.02 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.71 3gn1 s PRO 99 Cb -0.01 -2.06 0.21 0.00 0.04 0.00 0.00 34.50 32.68 3gn1 s PRO 99 CO -0.05 -0.75 0.43 0.25 0.04 0.00 0.00 177.00 176.91 3gn1 n THR 100 N -1.16 -0.91 -1.70 1.26 -2.24 0.14 -4.98 114.28 104.68 3gn1 n THR 100 Ca 0.11 -3.73 -0.40 0.00 -2.27 0.00 0.00 64.05 57.76 3gn1 n THR 100 Cb 0.51 -1.80 0.02 0.00 -2.10 0.00 0.00 70.33 66.96 3gn1 n THR 100 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3gn1 n PRO 101 N 2.15 1.75 0.01 -0.78 -0.02 -1.24 -4.41 135.00 132.46 3gn1 n PRO 101 Ca 0.26 0.63 -0.06 0.00 -2.02 0.00 0.00 63.50 62.31 3gn1 n PRO 101 Cb 0.50 -2.41 0.13 0.00 -0.02 0.00 0.00 33.50 31.71 3gn1 n PRO 101 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3gn1 h LEU 102 N 1.73 0.52 -4.95 2.45 4.07 -2.01 -3.51 115.31 113.61 3gn1 h LEU 102 Ca -0.49 -0.23 -0.54 0.00 0.08 0.00 0.00 57.88 56.70 3gn1 h LEU 102 Cb 1.31 -0.15 -0.41 0.00 1.08 0.00 0.00 40.66 42.48 3gn1 h LEU 102 CO 0.58 0.87 -0.83 1.33 -1.08 0.00 0.00 178.44 179.31 3gn1 n VAL 103 N -4.03 2.10 0.71 1.22 0.24 -1.26 -5.26 118.33 112.06 3gn1 n VAL 103 Ca -0.02 -4.78 0.11 0.00 -2.04 0.00 0.00 64.34 57.62 3gn1 n VAL 103 Cb 0.50 -0.89 0.47 0.00 -1.47 0.00 0.00 33.84 32.45 3gn1 n VAL 103 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gn1 n GLY 113 N -0.28 -1.34 3.75 7.63 0.00 -1.26 -5.20 105.19 108.49 3gn1 n GLY 113 Ca 0.31 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3gn1 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gn1 s LYS 114 N -3.05 4.27 0.66 1.61 1.02 -1.26 -5.01 119.74 117.98 3gn1 s LYS 114 Ca 0.10 2.31 -0.16 0.00 0.02 0.00 0.00 55.97 58.24 3gn1 s LYS 114 Cb 0.14 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 3gn1 s LYS 114 CO 0.44 -0.41 1.16 0.95 -0.92 0.00 0.00 175.35 176.57 3gn1 s THR 115 N -0.14 2.84 0.35 2.17 -4.23 -1.26 -4.88 115.64 110.49 3gn1 s THR 115 Ca 0.58 0.43 0.11 0.00 -1.18 0.00 0.00 61.69 61.63 3gn1 s THR 115 Cb -0.42 -3.00 0.33 0.00 1.34 0.00 0.00 72.50 70.75 3gn1 s THR 115 CO 0.45 -0.20 1.83 1.62 -0.54 0.00 0.00 174.62 177.77 3gn1 h VAL 116 N 0.17 0.74 0.00 2.29 3.04 -1.99 -1.80 116.25 118.69 3gn1 h VAL 116 Ca -0.48 -0.22 -0.11 0.00 -1.01 0.00 0.00 66.70 64.88 3gn1 h VAL 116 Cb 1.27 0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 30.58 3gn1 h VAL 116 CO 0.53 0.12 -0.53 -0.33 -1.01 0.00 0.00 177.57 176.35 3gn1 h GLU 117 N 0.64 0.00 -0.46 4.17 4.39 -1.99 -0.13 114.58 121.20 3gn1 h GLU 117 Ca 0.51 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 60.10 3gn1 h GLU 117 Cb 0.94 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 3gn1 h GLU 117 CO -0.26 0.53 -0.14 1.15 -1.16 0.00 0.00 179.01 179.13 3gn1 h THR 118 N 0.00 1.27 -0.95 1.13 2.02 -1.73 -0.98 112.91 113.68 3gn1 h THR 118 Ca -0.01 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.91 3gn1 h THR 118 Cb 0.93 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 3gn1 h THR 118 CO 0.07 0.43 0.61 1.56 0.37 0.00 0.00 175.52 178.56 3gn1 h GLN 119 N 0.74 1.26 0.41 6.66 4.20 -0.93 0.44 115.11 127.88 3gn1 h GLN 119 Ca 0.11 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3gn1 h GLN 119 Cb 0.69 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3gn1 h GLN 119 CO 0.05 0.85 -0.20 0.28 -0.67 0.00 0.00 178.83 179.15 3gn1 h VAL 120 N 1.29 0.60 -0.67 -0.54 2.07 -0.89 0.31 116.25 118.42 3gn1 h VAL 120 Ca 0.34 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.88 3gn1 h VAL 120 Cb -0.12 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 30.22 3gn1 h VAL 120 CO -0.07 0.02 0.19 0.00 0.02 0.00 0.00 177.57 177.73 3gn1 h ALA 121 N -0.04 0.86 0.06 1.67 0.00 -1.03 0.39 119.26 121.17 3gn1 h ALA 121 Ca -0.06 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gn1 h ALA 121 Cb 0.46 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3gn1 h ALA 121 CO 0.09 -0.27 -0.03 0.93 0.00 0.00 0.00 179.25 179.97 3gn1 h GLU 122 N 0.32 -0.08 -0.16 0.00 5.08 -0.66 -0.17 114.58 118.92 3gn1 h GLU 122 Ca 0.36 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.54 3gn1 h GLU 122 Cb 0.55 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.82 3gn1 h GLU 122 CO -0.42 0.48 -0.63 -0.07 -1.00 0.00 0.00 179.01 177.37 3gn1 h LEU 123 N -0.72 0.83 0.13 1.33 3.38 -0.32 -1.83 115.31 118.11 3gn1 h LEU 123 Ca -0.01 -0.62 -0.23 0.00 0.09 0.00 0.00 57.88 57.11 3gn1 h LEU 123 Cb 0.60 -0.24 0.03 0.00 0.09 0.00 0.00 40.66 41.13 3gn1 h LEU 123 CO 0.01 1.31 -1.00 0.40 0.09 0.00 0.00 178.44 179.25 3gn1 h ILE 124 N 0.40 1.40 0.08 1.22 1.08 -1.08 -3.03 117.51 117.58 3gn1 h ILE 124 Ca -0.03 -2.46 0.01 0.00 -0.39 0.00 0.00 64.86 61.99 3gn1 h ILE 124 Cb 1.26 2.94 -0.04 0.00 -3.07 0.00 0.00 36.82 37.91 3gn1 h ILE 124 CO 0.13 0.72 -0.47 1.23 -0.69 0.00 0.00 178.15 179.07 3gn1 h GLY 125 N -0.08 -1.17 0.82 5.37 0.00 -1.15 0.18 103.07 107.04 3gn1 h GLY 125 Ca -0.16 0.64 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 3gn1 h GLY 125 CO 0.19 -0.29 0.03 -0.91 0.00 0.00 0.00 176.54 175.56 3gn1 h THR 126 N -0.65 1.19 0.00 4.70 1.35 -1.24 0.44 112.91 118.69 3gn1 h THR 126 Ca -0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3gn1 h THR 126 Cb 0.67 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3gn1 h THR 126 CO -0.27 0.16 0.00 0.78 -0.25 0.00 0.00 175.52 175.95 3gn1 h ASN 127 N -0.04 0.00 0.00 5.36 2.35 -1.57 -3.39 115.58 118.29 3gn1 h ASN 127 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3gn1 h ASN 127 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3gn1 h ASN 127 CO -0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 177.43 175.77 3gn1 n ALA 128 N -2.07 3.00 0.07 -0.83 0.00 -0.06 -4.39 120.51 116.23 3gn1 n ALA 128 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 3gn1 n ALA 128 Cb 0.44 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 3gn1 n ALA 128 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3gn1 h ILE 129 N 0.00 1.01 -0.16 0.00 1.08 -0.88 -1.46 117.51 117.10 3gn1 h ILE 129 Ca 0.00 -0.77 0.05 0.00 -0.39 0.00 0.00 64.86 63.75 3gn1 h ILE 129 Cb 0.01 1.47 -0.06 0.00 -3.07 0.00 0.00 36.82 35.18 3gn1 h ILE 129 CO 0.00 0.18 -0.21 0.00 -0.69 0.00 0.00 178.15 177.43 3gn1 h ALA 130 N 0.20 -0.14 -1.00 1.87 0.00 -0.37 -0.22 119.26 119.60 3gn1 h ALA 130 Ca -0.02 0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.15 3gn1 h ALA 130 Cb 0.44 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 18.55 3gn1 h ALA 130 CO 0.03 -0.66 0.61 -1.35 0.00 0.00 0.00 179.25 177.89 3gn1 h PRO 131 N -0.25 0.67 -0.38 0.00 0.11 -1.74 -0.05 132.00 130.36 3gn1 h PRO 131 Ca 0.11 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 3gn1 h PRO 131 Cb 0.42 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 3gn1 h PRO 131 CO -0.31 0.45 0.11 0.35 -0.21 0.00 0.00 178.00 178.39 3gn1 h PHE 132 N 0.69 0.62 -0.50 0.65 3.57 -0.33 -1.71 116.94 119.93 3gn1 h PHE 132 Ca 0.58 -0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.89 3gn1 h PHE 132 Cb 1.00 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 3gn1 h PHE 132 CO -0.00 0.59 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.41 3gn1 h LEU 133 N 0.47 1.03 -0.74 0.59 3.38 -0.30 -1.11 115.31 118.63 3gn1 h LEU 133 Ca 0.12 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3gn1 h LEU 133 Cb 0.27 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3gn1 h LEU 133 CO -0.00 1.18 0.11 -0.07 0.09 0.00 0.00 178.44 179.75 3gn1 h LEU 134 N 0.87 1.03 -0.23 1.67 3.38 -1.04 -0.77 115.31 120.23 3gn1 h LEU 134 Ca 0.12 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3gn1 h LEU 134 Cb 0.77 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3gn1 h LEU 134 CO 0.06 1.02 0.14 0.74 0.09 0.00 0.00 178.44 180.49 3gn1 h THR 135 N 1.01 1.04 -0.25 0.22 2.02 -1.14 0.39 112.91 116.21 3gn1 h THR 135 Ca 0.20 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.32 3gn1 h THR 135 Cb 0.42 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3gn1 h THR 135 CO 0.01 0.05 0.04 0.24 0.37 0.00 0.00 175.52 176.23 3gn1 h MET 136 N 0.29 0.12 -0.47 6.66 2.86 -0.95 -0.65 114.93 122.80 3gn1 h MET 136 Ca 0.09 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 3gn1 h MET 136 Cb -0.02 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3gn1 h MET 136 CO -0.03 0.08 0.03 0.77 1.06 0.00 0.00 176.91 178.82 3gn1 h SER 137 N 0.12 0.78 0.12 1.22 0.02 -1.01 0.16 113.55 114.96 3gn1 h SER 137 Ca 0.11 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.79 3gn1 h SER 137 Cb 0.12 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3gn1 h SER 137 CO -0.16 0.88 -0.18 0.15 -1.14 0.00 0.00 176.83 176.37 3gn1 h PHE 138 N 0.66 -0.48 -0.26 3.45 3.57 -0.08 -2.28 116.94 121.52 3gn1 h PHE 138 Ca 0.14 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3gn1 h PHE 138 Cb 0.46 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3gn1 h PHE 138 CO 0.03 -0.27 0.11 0.00 -2.23 0.00 0.00 178.31 175.95 3gn1 h ALA 139 N 0.45 0.34 -0.54 2.41 0.00 -1.05 -2.89 119.26 117.99 3gn1 h ALA 139 Ca 0.02 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.89 3gn1 h ALA 139 Cb 0.37 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3gn1 h ALA 139 CO -0.09 -0.06 0.36 0.37 0.00 0.00 0.00 179.25 179.83 3gn1 h GLN 140 N 0.28 0.37 0.00 0.00 5.75 -0.66 -1.76 115.11 119.09 3gn1 h GLN 140 Ca 0.09 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3gn1 h GLN 140 Cb 0.18 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.64 3gn1 h GLN 140 CO -0.01 0.25 0.00 0.54 -2.65 0.00 0.00 178.83 176.96 3gn1 n ARG 141 N -4.47 0.09 -0.35 1.69 5.12 -0.86 -5.08 116.66 112.80 3gn1 n ARG 141 Ca 0.08 0.11 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 3gn1 n ARG 141 Cb 0.33 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 3gn1 n ARG 141 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3gn1 n GLN 142 N -1.78 0.71 -0.07 5.56 1.13 -0.67 -5.06 117.38 117.21 3gn1 n GLN 142 Ca 0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 3gn1 n GLN 142 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.70 3gn1 n GLN 142 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3gn1 n ASN 153 N -2.42 -0.03 -4.79 1.08 5.15 -1.26 -5.14 115.26 107.85 3gn1 n ASN 153 Ca 0.00 -0.05 -0.38 0.00 -0.60 0.00 0.00 54.58 53.55 3gn1 n ASN 153 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 3gn1 n ASN 153 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3gn1 s LEU 154 N 0.00 4.41 0.12 1.20 1.43 -1.26 -4.80 118.68 119.79 3gn1 s LEU 154 Ca 0.00 0.98 -0.24 0.00 -1.03 0.00 0.00 54.13 53.84 3gn1 s LEU 154 Cb 0.00 -2.70 0.07 0.00 0.03 0.00 0.00 46.19 43.59 3gn1 s LEU 154 CO 0.00 0.19 0.61 -0.94 0.23 0.00 0.00 176.35 176.44 3gn1 s SER 155 N -0.44 -0.58 -0.07 2.29 1.04 -0.67 -2.18 113.70 113.10 3gn1 s SER 155 Ca 0.26 0.12 0.05 0.00 0.48 0.00 0.00 55.95 56.86 3gn1 s SER 155 Cb -0.17 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 3gn1 s SER 155 CO 0.14 -0.91 -0.23 -0.63 0.98 0.00 0.00 173.24 172.59 3gn1 s ILE 156 N -3.30 2.27 -0.17 -1.02 1.01 0.36 -1.60 121.20 118.75 3gn1 s ILE 156 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.66 3gn1 s ILE 156 Cb -0.01 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.62 3gn1 s ILE 156 CO -0.09 0.57 -0.17 -0.69 0.00 0.00 0.00 174.94 174.56 3gn1 s VAL 157 N -0.13 2.43 -0.15 2.92 1.01 0.55 -1.03 120.40 125.99 3gn1 s VAL 157 Ca -0.04 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 3gn1 s VAL 157 Cb -0.14 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 3gn1 s VAL 157 CO 0.04 0.52 0.23 0.20 0.00 0.00 0.00 175.10 176.08 3gn1 s ASN 158 N 1.04 6.39 -0.55 3.32 0.01 0.93 -0.34 114.94 125.73 3gn1 s ASN 158 Ca -0.01 0.45 -0.27 0.00 -0.71 0.00 0.00 52.86 52.32 3gn1 s ASN 158 Cb -0.15 -2.14 0.03 0.00 0.41 0.00 0.00 41.25 39.41 3gn1 s ASN 158 CO -0.05 0.20 1.11 -0.76 -1.51 0.00 0.00 177.10 176.09 3gn1 s LEU 159 N 0.05 3.65 0.00 0.60 2.01 0.52 -1.20 118.68 124.31 3gn1 s LEU 159 Ca 0.14 0.07 0.00 0.00 0.01 0.00 0.00 54.13 54.35 3gn1 s LEU 159 Cb -0.12 -3.16 0.00 0.00 0.01 0.00 0.00 46.19 42.92 3gn1 s LEU 159 CO 0.03 -1.37 0.00 0.00 1.01 0.00 0.00 176.35 176.02 3gn1 s ASP 161 N -1.00 -1.08 0.50 0.00 -1.08 -1.26 -4.36 116.67 108.39 3gn1 s ASP 161 Ca 0.00 1.54 0.34 0.00 -0.52 0.00 0.00 52.55 53.91 3gn1 s ASP 161 Cb 0.00 2.15 1.69 0.00 -1.46 0.00 0.00 42.92 45.29 3gn1 s ASP 161 CO 0.00 -0.22 2.02 0.00 0.52 0.00 0.00 175.17 177.49 3gn1 h ALA 162 N 7.88 1.00 -0.61 3.66 0.00 -0.78 -2.89 119.26 127.52 3gn1 h ALA 162 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3gn1 h ALA 162 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3gn1 h ALA 162 CO 0.11 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.03 3gn1 n MET 163 N -2.75 4.32 0.15 0.00 2.81 -1.26 -4.61 117.12 115.78 3gn1 n MET 163 Ca -0.01 -3.04 0.15 0.00 -1.81 0.00 0.00 57.70 52.99 3gn1 n MET 163 Cb 0.13 -2.09 0.70 0.00 -0.71 0.00 0.00 33.22 31.26 3gn1 n MET 163 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 3gn1 h VAL 164 N 4.04 0.80 -0.00 2.03 -1.51 -1.91 -1.55 116.25 118.14 3gn1 h VAL 164 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3gn1 h VAL 164 Cb 1.72 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 3gn1 h VAL 164 CO 0.36 0.00 -0.46 0.47 -1.23 0.00 0.00 177.57 176.71 3gn1 n ASP 165 N -4.34 0.71 -3.27 4.19 8.00 -1.26 -4.32 116.55 116.26 3gn1 n ASP 165 Ca 0.03 -0.51 -0.25 0.00 0.71 0.00 0.00 54.79 54.77 3gn1 n ASP 165 Cb 0.34 0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 41.63 3gn1 n ASP 165 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gn1 n GLN 166 N -1.23 1.43 0.00 -1.24 6.02 -0.59 -5.27 117.38 116.50 3gn1 n GLN 166 Ca 0.07 -3.79 0.00 0.00 -0.01 0.00 0.00 57.00 53.28 3gn1 n GLN 166 Cb 0.34 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 29.98 3gn1 n GLN 166 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3gn1 n PRO 167 N 1.15 0.00 -4.17 -1.09 -0.04 -1.17 -4.92 135.00 124.75 3gn1 n PRO 167 Ca 0.25 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.36 3gn1 n PRO 167 Cb 0.49 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.84 3gn1 n PRO 167 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3gn1 s MET 169 N 0.00 3.84 -1.31 0.54 1.75 -1.26 -5.01 119.30 117.85 3gn1 s MET 169 Ca 0.00 -0.42 0.00 0.00 -1.25 0.00 0.00 55.69 54.02 3gn1 s MET 169 Cb 0.00 -3.09 0.00 0.00 2.84 0.00 0.00 34.83 34.58 3gn1 s MET 169 CO 0.00 0.25 0.00 0.00 -0.65 0.00 0.00 175.02 174.62 3gn1 n ALA 170 N 3.56 -0.29 -1.98 4.11 0.00 -1.26 -4.93 120.51 119.72 3gn1 n ALA 170 Ca -0.17 0.17 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3gn1 n ALA 170 Cb 0.52 -1.54 0.03 0.00 0.00 0.00 0.00 19.45 18.46 3gn1 n ALA 170 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3gn1 n PHE 171 N -3.21 3.08 -0.07 0.00 3.01 -1.26 0.24 117.46 119.24 3gn1 n PHE 171 Ca -0.15 -2.66 -0.07 0.00 1.01 0.00 0.00 57.45 55.59 3gn1 n PHE 171 Cb 0.52 -0.66 -0.01 0.00 -0.01 0.00 0.00 39.48 39.32 3gn1 n PHE 171 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3gn1 h SER 172 N 2.39 -0.25 -0.30 4.37 0.02 -1.92 -0.03 113.55 117.83 3gn1 h SER 172 Ca 0.44 0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 61.36 3gn1 h SER 172 Cb 0.95 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3gn1 h SER 172 CO 1.08 -0.09 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.39 3gn1 h LEU 173 N 0.00 0.71 -0.43 5.07 3.38 -1.89 0.20 115.31 122.35 3gn1 h LEU 173 Ca 0.13 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.72 3gn1 h LEU 173 Cb 0.20 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3gn1 h LEU 173 CO -0.29 1.01 0.11 0.22 0.09 0.00 0.00 178.44 179.58 3gn1 h TYR 174 N 0.42 0.18 -0.61 1.13 3.20 -1.82 0.99 116.97 120.46 3gn1 h TYR 174 Ca 0.06 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 3gn1 h TYR 174 Cb 0.78 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 3gn1 h TYR 174 CO 0.07 0.04 0.10 -0.97 -1.64 0.00 0.00 178.16 175.75 3gn1 h ASN 175 N 0.25 0.97 -0.56 -2.11 -0.00 -0.71 -0.29 115.58 113.13 3gn1 h ASN 175 Ca 0.21 -0.26 0.05 0.00 -0.00 0.00 0.00 56.30 56.29 3gn1 h ASN 175 Cb 0.25 -0.26 -0.05 0.00 -0.00 0.00 0.00 38.32 38.26 3gn1 h ASN 175 CO -0.26 0.98 0.30 0.24 -0.00 0.00 0.00 177.43 178.70 3gn1 h MET 176 N 0.92 0.57 -0.28 6.67 2.86 -0.36 0.00 114.93 125.30 3gn1 h MET 176 Ca 0.19 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3gn1 h MET 176 Cb 0.43 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 3gn1 h MET 176 CO 0.01 0.37 0.13 0.78 1.06 0.00 0.00 176.91 179.26 3gn1 h GLY 177 N 0.58 0.37 1.46 8.32 0.00 -0.22 0.45 103.07 114.03 3gn1 h GLY 177 Ca 0.25 -0.09 -0.14 0.00 0.00 0.00 0.00 47.33 47.35 3gn1 h GLY 177 CO -0.15 0.06 -0.45 0.50 0.00 0.00 0.00 176.54 176.50 3gn1 h LYS 178 N 0.27 0.58 -0.68 4.80 1.79 -0.86 -1.44 116.57 121.03 3gn1 h LYS 178 Ca 0.12 -0.32 -0.01 0.00 -2.18 0.00 0.00 60.65 58.26 3gn1 h LYS 178 Cb 0.05 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 3gn1 h LYS 178 CO -0.09 0.92 0.39 0.45 -1.08 0.00 0.00 179.45 180.04 3gn1 h HIS 179 N 0.47 0.91 -0.73 -1.35 3.86 -0.84 -2.36 115.15 115.11 3gn1 h HIS 179 Ca 0.03 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3gn1 h HIS 179 Cb 0.97 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 29.11 3gn1 h HIS 179 CO 0.04 0.63 0.39 0.00 0.86 0.00 0.00 177.93 179.85 3gn1 h ALA 180 N 1.20 1.32 -0.19 2.45 0.00 -0.59 -2.26 119.26 121.20 3gn1 h ALA 180 Ca 0.24 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3gn1 h ALA 180 Cb -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3gn1 h ALA 180 CO -0.04 0.55 -0.13 1.25 0.00 0.00 0.00 179.25 180.87 3gn1 h LEU 181 N 1.02 0.29 -0.20 0.00 5.85 -0.87 -0.25 115.31 121.14 3gn1 h LEU 181 Ca 0.26 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3gn1 h LEU 181 Cb 0.03 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3gn1 h LEU 181 CO -0.04 0.45 0.04 0.58 -0.34 0.00 0.00 178.44 179.14 3gn1 h VAL 182 N 0.28 1.21 -0.41 1.05 2.07 -0.98 -0.78 116.25 118.69 3gn1 h VAL 182 Ca 0.06 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 66.97 3gn1 h VAL 182 Cb 0.42 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.40 3gn1 h VAL 182 CO 0.02 0.21 -0.07 1.23 0.02 0.00 0.00 177.57 178.99 3gn1 h GLY 183 N 0.13 0.34 1.00 2.17 0.00 -0.96 -1.08 103.07 104.67 3gn1 h GLY 183 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3gn1 h GLY 183 CO 0.00 -0.14 0.21 -2.00 0.00 0.00 0.00 176.54 174.61 3gn1 h LEU 184 N 0.03 0.36 -0.37 3.11 5.85 -0.97 -0.61 115.31 122.72 3gn1 h LEU 184 Ca 0.20 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.98 3gn1 h LEU 184 Cb 0.30 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 3gn1 h LEU 184 CO -0.40 0.27 -0.18 0.74 -0.34 0.00 0.00 178.44 178.53 3gn1 h THR 185 N 0.42 0.45 0.03 1.05 2.02 -0.65 0.15 112.91 116.39 3gn1 h THR 185 Ca 0.12 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 3gn1 h THR 185 Cb -0.04 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3gn1 h THR 185 CO -0.02 0.00 -0.01 1.56 0.37 0.00 0.00 175.52 177.41 3gn1 h GLN 186 N -0.12 -0.04 -0.34 6.66 4.20 -1.11 -1.18 115.11 123.18 3gn1 h GLN 186 Ca 0.19 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.93 3gn1 h GLN 186 Cb 0.40 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 3gn1 h GLN 186 CO -0.45 0.16 0.15 0.77 -0.67 0.00 0.00 178.83 178.79 3gn1 h SER 187 N -0.23 0.20 -0.50 1.46 0.02 -0.84 -2.31 113.55 111.35 3gn1 h SER 187 Ca -0.00 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 3gn1 h SER 187 Cb 0.22 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3gn1 h SER 187 CO 0.01 0.15 -0.19 0.00 -1.14 0.00 0.00 176.83 175.66 3gn1 h ALA 188 N 1.19 0.70 -0.45 3.77 0.00 -0.75 -1.30 119.26 122.43 3gn1 h ALA 188 Ca 0.15 -0.39 0.09 0.00 0.00 0.00 0.00 54.91 54.76 3gn1 h ALA 188 Cb 0.08 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 3gn1 h ALA 188 CO -0.12 0.68 -0.02 0.00 0.00 0.00 0.00 179.25 179.79 3gn1 h ALA 189 N 0.88 0.40 -0.12 0.00 0.00 -1.08 0.14 119.26 119.48 3gn1 h ALA 189 Ca 0.12 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3gn1 h ALA 189 Cb 0.78 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3gn1 h ALA 189 CO 0.06 -0.40 0.04 1.25 0.00 0.00 0.00 179.25 180.20 3gn1 h LEU 190 N 0.09 0.17 -0.48 0.00 5.85 -1.29 -2.66 115.31 116.99 3gn1 h LEU 190 Ca 0.22 -0.20 -0.17 0.00 0.84 0.00 0.00 57.88 58.57 3gn1 h LEU 190 Cb 0.33 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3gn1 h LEU 190 CO -0.39 0.33 -0.72 -0.08 -0.34 0.00 0.00 178.44 177.24 3gn1 h GLU 191 N 0.01 0.24 -0.00 1.25 4.81 -0.99 -3.29 114.58 116.60 3gn1 h GLU 191 Ca 0.04 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3gn1 h GLU 191 Cb 0.22 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3gn1 h GLU 191 CO -0.00 0.86 -0.68 1.28 -0.73 0.00 0.00 179.01 179.74 3gn1 n LEU 192 N -3.79 0.79 -0.21 1.64 4.77 0.47 -4.37 117.00 116.30 3gn1 n LEU 192 Ca -0.03 -0.24 0.01 0.00 -0.03 0.00 0.00 56.01 55.72 3gn1 n LEU 192 Cb 0.70 -0.13 0.12 0.00 -2.33 0.00 0.00 43.42 41.78 3gn1 n LEU 192 CO 0.46 0.19 0.98 0.00 -1.33 0.00 0.00 177.39 177.69 3gn1 h ALA 193 N 3.08 0.83 -0.93 -1.18 0.00 -1.54 -0.79 119.26 118.72 3gn1 h ALA 193 Ca 0.00 0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.25 3gn1 h ALA 193 Cb 0.51 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3gn1 h ALA 193 CO 0.00 -0.21 0.65 -1.35 0.00 0.00 0.00 179.25 178.34 3gn1 h PRO 194 N 0.40 0.17 -0.05 0.00 0.11 -1.80 0.24 132.00 131.06 3gn1 h PRO 194 Ca 0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3gn1 h PRO 194 Cb 0.44 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3gn1 h PRO 194 CO -0.34 0.11 0.00 0.66 -0.21 0.00 0.00 178.00 178.22 3gn1 n TYR 195 N -4.38 0.06 -1.11 0.65 4.02 -0.34 -4.91 117.16 111.15 3gn1 n TYR 195 Ca 0.20 -0.03 -0.04 0.00 -0.01 0.00 0.00 57.90 58.02 3gn1 n TYR 195 Cb 0.89 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.19 3gn1 n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gn1 n GLY 196 N 1.05 0.68 3.60 2.72 0.00 0.84 -5.01 105.19 109.07 3gn1 n GLY 196 Ca 0.18 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 3gn1 n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gn1 s ILE 197 N -2.05 5.05 0.15 -0.61 1.01 -0.99 -4.28 121.20 119.48 3gn1 s ILE 197 Ca 0.00 0.73 -0.20 0.00 0.00 0.00 0.00 60.65 61.17 3gn1 s ILE 197 Cb 0.00 -3.87 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 3gn1 s ILE 197 CO 0.00 -0.00 0.67 -0.13 0.00 0.00 0.00 174.94 175.48 3gn1 s ARG 198 N 2.34 4.29 -0.11 2.79 0.52 -0.93 -3.71 118.95 124.14 3gn1 s ARG 198 Ca 0.20 0.86 -0.01 0.00 -0.52 0.00 0.00 55.73 56.27 3gn1 s ARG 198 Cb -0.15 -3.10 0.03 0.00 0.52 0.00 0.00 34.95 32.24 3gn1 s ARG 198 CO 0.10 0.53 -0.05 0.08 0.02 0.00 0.00 175.30 175.98 3gn1 s VAL 199 N -1.29 0.87 0.29 3.52 1.01 -1.26 -0.49 120.40 123.05 3gn1 s VAL 199 Ca 0.36 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.15 3gn1 s VAL 199 Cb -0.19 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3gn1 s VAL 199 CO 0.22 0.32 0.19 0.20 0.00 0.00 0.00 175.10 176.02 3gn1 s ASN 200 N 1.77 1.25 0.06 3.32 0.01 -0.20 0.86 114.94 122.01 3gn1 s ASN 200 Ca 0.05 -1.58 0.04 0.00 -0.71 0.00 0.00 52.86 50.66 3gn1 s ASN 200 Cb -0.13 0.43 -0.03 0.00 0.41 0.00 0.00 41.25 41.94 3gn1 s ASN 200 CO -0.08 -0.93 -0.11 -0.83 -1.51 0.00 0.00 177.10 173.65 3gn1 s GLY 201 N -3.32 0.70 -0.14 0.66 0.00 0.03 -0.05 107.32 105.19 3gn1 s GLY 201 Ca 0.38 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 44.21 3gn1 s GLY 201 CO 0.19 -0.94 -0.18 0.14 0.00 0.00 0.00 173.10 172.31 3gn1 s VAL 202 N -1.37 2.45 -0.46 1.40 1.01 -0.34 -0.67 120.40 122.42 3gn1 s VAL 202 Ca -0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 3gn1 s VAL 202 Cb -0.10 -2.01 0.12 0.00 0.00 0.00 0.00 36.38 34.40 3gn1 s VAL 202 CO 0.01 0.53 0.25 0.00 0.00 0.00 0.00 175.10 175.89 3gn1 s ALA 203 N 0.72 3.24 0.51 5.51 0.00 -0.52 -0.06 121.76 131.15 3gn1 s ALA 203 Ca -0.08 -2.74 -0.21 0.00 0.00 0.00 0.00 51.96 48.93 3gn1 s ALA 203 Cb -0.16 -2.41 -0.06 0.00 0.00 0.00 0.00 23.12 20.49 3gn1 s ALA 203 CO 0.01 -1.87 1.17 -2.14 0.00 0.00 0.00 175.76 172.92 3gn1 s PRO 204 N 0.77 3.51 0.00 0.00 0.02 -1.26 -0.97 135.00 137.06 3gn1 s PRO 204 Ca 0.11 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.87 3gn1 s PRO 204 Cb -0.22 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.09 3gn1 s PRO 204 CO -0.04 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.28 3gn1 n GLY 205 N 0.36 1.08 3.28 0.52 0.00 -1.19 -0.30 105.19 108.93 3gn1 n GLY 205 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3gn1 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gn1 s VAL 206 N 0.06 3.09 0.00 1.61 1.01 -1.26 -4.79 120.40 120.12 3gn1 s VAL 206 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3gn1 s VAL 206 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3gn1 s VAL 206 CO 0.00 0.45 0.00 -0.24 0.00 0.00 0.00 175.10 175.31 3gn1 n SER 207 N 4.68 0.00 -4.57 3.32 2.88 -1.26 -1.12 113.62 117.54 3gn1 n SER 207 Ca -0.19 0.00 -0.65 0.00 -1.33 0.00 0.00 58.87 56.70 3gn1 n SER 207 Cb 0.51 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 3gn1 n SER 207 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3gn1 n LEU 208 N 0.00 1.11 -4.92 2.46 4.77 -1.14 -4.65 117.00 114.63 3gn1 n LEU 208 Ca 0.00 1.08 -0.26 0.00 -0.03 0.00 0.00 56.01 56.80 3gn1 n LEU 208 Cb 0.00 -0.87 -0.01 0.00 -2.33 0.00 0.00 43.42 40.21 3gn1 n LEU 208 CO 0.00 -0.81 0.31 -0.76 -1.33 0.00 0.00 177.39 174.80 3gn1 s LEU 209 N 3.45 3.84 0.33 2.23 1.43 -1.26 -5.03 118.68 123.67 3gn1 s LEU 209 Ca 1.05 0.74 -0.28 0.00 -1.03 0.00 0.00 54.13 54.61 3gn1 s LEU 209 Cb -1.47 -3.63 -0.12 0.00 0.03 0.00 0.00 46.19 40.99 3gn1 s LEU 209 CO 0.78 -0.41 1.27 -2.65 0.23 0.00 0.00 176.35 175.56 3gn1 n PRO 210 N -1.85 2.05 -0.19 1.29 -0.02 -1.26 -4.89 135.00 130.13 3gn1 n PRO 210 Ca -0.02 0.72 -0.05 0.00 -2.02 0.00 0.00 63.50 62.13 3gn1 n PRO 210 Cb 0.55 -2.28 0.01 0.00 -0.02 0.00 0.00 33.50 31.76 3gn1 n PRO 210 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3gn1 h VAL 211 N 2.51 0.21 0.00 -1.45 3.04 -2.04 -2.80 116.25 115.73 3gn1 h VAL 211 Ca -0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 3gn1 h VAL 211 Cb 1.29 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 3gn1 h VAL 211 CO 0.63 0.00 -0.01 0.00 -1.01 0.00 0.00 177.57 177.18 3gn1 n ALA 212 N -3.11 2.30 -1.68 3.17 0.00 -1.26 -4.87 120.51 115.07 3gn1 n ALA 212 Ca 0.04 -0.04 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 3gn1 n ALA 212 Cb 0.35 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 3gn1 n ALA 212 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3gn1 n MET 213 N -2.14 2.29 -1.84 0.00 0.00 -1.06 -4.91 117.12 109.47 3gn1 n MET 213 Ca 0.06 0.83 -0.41 0.00 0.00 0.00 0.00 57.70 58.18 3gn1 n MET 213 Cb 0.42 -2.61 -0.00 0.00 0.00 0.00 0.00 33.22 31.02 3gn1 n MET 213 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3gn1 s GLY 214 N 0.95 2.95 0.42 -5.12 0.00 -1.26 -4.80 107.32 100.46 3gn1 s GLY 214 Ca 0.78 1.53 0.16 0.00 0.00 0.00 0.00 44.72 47.19 3gn1 s GLY 214 CO 0.37 2.21 1.91 0.83 0.00 0.00 0.00 173.10 178.42 3gn1 h GLU 215 N 2.99 0.41 -0.53 2.90 4.39 -1.96 0.78 114.58 123.54 3gn1 h GLU 215 Ca -0.51 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.07 3gn1 h GLU 215 Cb 1.24 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 3gn1 h GLU 215 CO 0.64 0.27 -0.05 1.05 -1.16 0.00 0.00 179.01 179.76 3gn1 h GLU 216 N 0.42 0.95 -0.23 2.33 9.09 -1.98 0.33 114.58 125.49 3gn1 h GLU 216 Ca 0.39 -0.31 -0.14 0.00 0.05 0.00 0.00 59.36 59.35 3gn1 h GLU 216 Cb 0.89 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.91 3gn1 h GLU 216 CO -0.13 0.96 -0.42 1.49 0.05 0.00 0.00 179.01 180.96 3gn1 h GLU 217 N 0.86 0.69 -0.71 1.06 4.81 -1.27 -2.36 114.58 117.67 3gn1 h GLU 217 Ca 0.15 -0.44 0.09 0.00 -0.13 0.00 0.00 59.36 59.04 3gn1 h GLU 217 Cb 0.57 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.93 3gn1 h GLU 217 CO 0.03 1.06 0.35 0.87 -0.73 0.00 0.00 179.01 180.59 3gn1 h LYS 218 N 0.40 0.57 -0.20 1.92 1.57 -1.08 -1.63 116.57 118.13 3gn1 h LYS 218 Ca 0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3gn1 h LYS 218 Cb 1.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 3gn1 h LYS 218 CO 0.09 0.38 -0.11 -0.44 -0.57 0.00 0.00 179.45 178.80 3gn1 h ASP 219 N 0.59 0.30 -0.79 0.86 5.19 -0.87 0.12 116.42 121.83 3gn1 h ASP 219 Ca 0.35 -0.06 0.05 0.00 -0.62 0.00 0.00 57.03 56.74 3gn1 h ASP 219 Cb 0.38 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.76 3gn1 h ASP 219 CO -0.27 0.45 0.52 0.11 -3.12 0.00 0.00 179.24 176.93 3gn1 h LYS 220 N 0.31 0.90 0.13 3.56 1.57 -0.74 -1.22 116.57 121.07 3gn1 h LYS 220 Ca 0.06 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.61 3gn1 h LYS 220 Cb 0.39 -0.20 0.02 0.00 0.08 0.00 0.00 32.23 32.52 3gn1 h LYS 220 CO 0.02 0.59 -0.81 -1.49 -0.57 0.00 0.00 179.45 177.20 3gn1 h TRP 221 N 0.92 0.52 -0.71 -1.35 4.06 -1.19 -3.28 115.95 114.92 3gn1 h TRP 221 Ca 0.32 -0.38 0.11 0.00 2.06 0.00 0.00 58.89 61.01 3gn1 h TRP 221 Cb 0.12 -0.02 -0.08 0.00 -1.00 0.00 0.00 29.16 28.18 3gn1 h TRP 221 CO -0.00 1.31 0.30 0.00 -3.56 0.00 0.00 178.44 176.49 3gn1 h ARG 222 N -0.40 0.48 0.00 0.49 3.08 -0.91 -1.93 114.38 115.18 3gn1 h ARG 222 Ca -0.14 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3gn1 h ARG 222 Cb 1.62 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.56 3gn1 h ARG 222 CO 0.14 0.32 0.00 0.00 -1.07 0.00 0.00 179.97 179.36 3gn1 h ARG 223 N 0.49 0.00 0.00 0.04 3.08 -1.32 -2.72 114.38 113.95 3gn1 h ARG 223 Ca 0.37 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.38 3gn1 h ARG 223 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3gn1 h ARG 223 CO -0.33 0.00 -0.18 0.87 -1.07 0.00 0.00 179.97 179.26 3gn1 h LYS 224 N 0.00 0.00 -6.41 0.04 1.57 -1.41 -3.45 116.57 106.91 3gn1 h LYS 224 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3gn1 h LYS 224 Cb 0.36 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.59 3gn1 h LYS 224 CO 0.00 0.18 0.81 0.08 -0.57 0.00 0.00 179.45 179.94 3gn1 s VAL 225 N -3.56 4.40 0.24 0.50 1.01 -1.03 -4.80 120.40 117.16 3gn1 s VAL 225 Ca 0.02 1.34 -0.05 0.00 0.00 0.00 0.00 61.98 63.29 3gn1 s VAL 225 Cb 0.09 -4.48 0.21 0.00 0.00 0.00 0.00 36.38 32.21 3gn1 s VAL 225 CO 0.63 -0.73 1.73 -0.65 0.00 0.00 0.00 175.10 176.08 3gn1 h PRO 226 N 8.70 0.44 -5.03 2.72 0.11 -1.83 -2.21 132.00 134.91 3gn1 h PRO 226 Ca -0.22 -0.03 -0.69 0.00 0.11 0.00 0.00 66.00 65.17 3gn1 h PRO 226 Cb 1.07 -0.10 -0.18 0.00 0.11 0.00 0.00 31.00 31.90 3gn1 h PRO 226 CO 1.06 0.29 0.75 -1.17 -0.21 0.00 0.00 178.00 178.72 3gn1 s LEU 227 N -10.43 5.04 0.00 2.35 2.96 -0.52 -4.16 118.68 113.91 3gn1 s LEU 227 Ca -0.12 -1.91 0.00 0.00 -0.22 0.00 0.00 54.13 51.88 3gn1 s LEU 227 Cb 0.20 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.50 3gn1 s LEU 227 CO 0.76 -1.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 3gn1 n GLY 228 N 5.42 0.93 4.00 7.98 0.00 -1.26 -4.33 105.19 117.93 3gn1 n GLY 228 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3gn1 n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gn1 n ARG 229 N -2.00 -3.84 -3.86 1.61 3.00 -0.83 -4.97 116.66 105.77 3gn1 n ARG 229 Ca 0.00 0.45 -0.09 0.00 -0.01 0.00 0.00 57.85 58.20 3gn1 n ARG 229 Cb 0.00 -4.94 -0.07 0.00 0.00 0.00 0.00 32.46 27.45 3gn1 n ARG 229 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3gn1 s ARG 230 N -6.62 0.96 0.61 5.56 1.70 -1.17 -4.32 118.95 115.67 3gn1 s ARG 230 Ca 0.34 -1.00 -0.13 0.00 -0.47 0.00 0.00 55.73 54.47 3gn1 s ARG 230 Cb -0.18 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 3gn1 s ARG 230 CO 0.88 -0.33 1.03 -1.83 -1.08 0.00 0.00 175.30 173.97 3gn1 s GLU 231 N -3.89 3.49 0.27 3.89 1.03 -1.26 -4.84 118.70 117.40 3gn1 s GLU 231 Ca 0.08 0.91 -0.29 0.00 0.03 0.00 0.00 54.97 55.70 3gn1 s GLU 231 Cb 0.04 -2.07 -0.10 0.00 -0.80 0.00 0.00 34.13 31.21 3gn1 s GLU 231 CO -0.08 -0.65 1.36 0.00 -1.33 0.00 0.00 175.26 174.56 3gn1 s ALA 232 N -2.90 3.55 0.74 -0.84 0.00 -0.28 -4.93 121.76 117.10 3gn1 s ALA 232 Ca 0.58 1.25 -0.13 0.00 0.00 0.00 0.00 51.96 53.66 3gn1 s ALA 232 Cb -0.12 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.53 3gn1 s ALA 232 CO 0.46 -0.66 1.13 -1.54 0.00 0.00 0.00 175.76 175.15 3gn1 s SER 233 N -0.01 4.50 0.37 0.00 1.04 -1.26 -2.87 113.70 115.47 3gn1 s SER 233 Ca 0.54 2.04 0.04 0.00 0.48 0.00 0.00 55.95 59.05 3gn1 s SER 233 Cb -0.40 -2.55 0.70 0.00 0.10 0.00 0.00 66.02 63.87 3gn1 s SER 233 CO 0.46 -2.05 2.01 0.00 0.98 0.00 0.00 173.24 174.65 3gn1 h ALA 234 N -0.60 1.58 -0.57 5.32 0.00 -1.96 -2.33 119.26 120.70 3gn1 h ALA 234 Ca -0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3gn1 h ALA 234 Cb 1.25 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3gn1 h ALA 234 CO 0.51 0.38 0.30 0.93 0.00 0.00 0.00 179.25 181.37 3gn1 h GLU 235 N 0.75 0.79 -0.57 0.00 3.07 -1.92 0.14 114.58 116.83 3gn1 h GLU 235 Ca 0.20 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 58.87 3gn1 h GLU 235 Cb -0.06 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.68 3gn1 h GLU 235 CO -0.04 0.59 -0.04 1.96 -1.40 0.00 0.00 179.01 180.08 3gn1 h GLN 236 N 0.79 1.04 -0.26 2.33 4.20 -1.80 0.14 115.11 121.55 3gn1 h GLN 236 Ca 0.20 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3gn1 h GLN 236 Cb 0.04 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3gn1 h GLN 236 CO -0.03 1.04 0.11 0.82 -0.67 0.00 0.00 178.83 180.10 3gn1 h ILE 237 N 0.93 1.17 -0.70 2.54 1.08 -1.22 -3.03 117.51 118.28 3gn1 h ILE 237 Ca 0.16 -0.52 0.04 0.00 -0.39 0.00 0.00 64.86 64.16 3gn1 h ILE 237 Cb 0.60 1.02 -0.04 0.00 -3.07 0.00 0.00 36.82 35.33 3gn1 h ILE 237 CO 0.04 0.17 0.46 0.00 -0.69 0.00 0.00 178.15 178.13 3gn1 h ALA 238 N 0.95 1.64 -0.89 1.87 0.00 -0.36 -1.91 119.26 120.56 3gn1 h ALA 238 Ca 0.09 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.07 3gn1 h ALA 238 Cb 0.17 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 3gn1 h ALA 238 CO -0.01 0.28 0.57 -0.44 0.00 0.00 0.00 179.25 179.65 3gn1 h ASP 239 N 0.81 0.78 0.56 0.00 3.32 -0.61 -1.16 116.42 120.12 3gn1 h ASP 239 Ca 0.29 0.03 -0.19 0.00 0.02 0.00 0.00 57.03 57.17 3gn1 h ASP 239 Cb 0.12 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3gn1 h ASP 239 CO -0.09 0.45 -0.85 0.00 -1.72 0.00 0.00 179.24 177.03 3gn1 h ALA 240 N 1.56 0.55 -0.26 3.45 0.00 -1.38 -2.29 119.26 120.89 3gn1 h ALA 240 Ca 0.42 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3gn1 h ALA 240 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3gn1 h ALA 240 CO -0.18 0.90 0.10 0.28 0.00 0.00 0.00 179.25 180.34 3gn1 h VAL 241 N 0.11 1.18 -0.57 0.00 2.07 -1.18 -2.27 116.25 115.60 3gn1 h VAL 241 Ca -0.04 -0.56 0.11 0.00 0.82 0.00 0.00 66.70 67.03 3gn1 h VAL 241 Cb 1.47 1.07 -0.09 0.00 -1.52 0.00 0.00 31.29 32.22 3gn1 h VAL 241 CO 0.13 0.19 0.05 0.40 0.02 0.00 0.00 177.57 178.36 3gn1 h ILE 242 N 0.26 0.59 -0.42 4.57 1.08 -1.20 -2.13 117.51 120.27 3gn1 h ILE 242 Ca 0.08 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.51 3gn1 h ILE 242 Cb 0.20 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 34.33 3gn1 h ILE 242 CO -0.01 0.03 0.25 0.15 -0.69 0.00 0.00 178.15 177.88 3gn1 h PHE 243 N 0.17 0.46 -0.04 1.37 3.57 -1.29 -2.79 116.94 118.38 3gn1 h PHE 243 Ca 0.29 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 3gn1 h PHE 243 Cb 0.45 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3gn1 h PHE 243 CO -0.30 0.27 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.77 3gn1 h LEU 244 N 0.50 0.06 -0.33 0.59 3.38 -0.80 -2.31 115.31 116.40 3gn1 h LEU 244 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3gn1 h LEU 244 Cb 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3gn1 h LEU 244 CO -0.08 0.28 -0.36 1.33 0.09 0.00 0.00 178.44 179.70 3gn1 n VAL 245 N -4.26 0.00 -2.43 1.22 0.24 -0.86 -4.74 118.33 107.49 3gn1 n VAL 245 Ca -0.02 -0.08 -0.25 0.00 -2.04 0.00 0.00 64.34 61.95 3gn1 n VAL 245 Cb 0.29 0.38 0.04 0.00 -1.47 0.00 0.00 33.84 33.07 3gn1 n VAL 245 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3gn1 s SER 246 N -2.68 5.30 0.46 -1.34 1.04 -0.87 -4.97 113.70 110.64 3gn1 s SER 246 Ca 0.19 0.46 0.31 0.00 0.48 0.00 0.00 55.95 57.39 3gn1 s SER 246 Cb 0.19 -1.34 1.57 0.00 0.10 0.00 0.00 66.02 66.54 3gn1 s SER 246 CO 0.59 -1.22 1.95 1.23 0.98 0.00 0.00 173.24 176.77 3gn1 h GLY 247 N -0.21 0.00 1.13 7.32 0.00 -1.91 -1.99 103.07 107.40 3gn1 h GLY 247 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3gn1 h GLY 247 CO 0.59 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.57 3gn1 n SER 248 N -2.64 0.00 -0.46 0.19 7.64 -1.26 -3.21 113.62 113.88 3gn1 n SER 248 Ca -0.01 -0.75 0.07 0.00 1.01 0.00 0.00 58.87 59.19 3gn1 n SER 248 Cb 0.12 -0.07 0.14 0.00 -1.01 0.00 0.00 64.21 63.40 3gn1 n SER 248 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gn1 n ALA 249 N -1.07 2.79 0.31 -0.43 0.00 -0.75 -4.86 120.51 116.51 3gn1 n ALA 249 Ca 0.20 -2.70 0.14 0.00 0.00 0.00 0.00 53.44 51.09 3gn1 n ALA 249 Cb 0.13 -0.42 0.64 0.00 0.00 0.00 0.00 19.45 19.80 3gn1 n ALA 249 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gn1 h GLN 250 N 0.49 0.00 -0.12 0.00 4.20 -1.68 -0.23 115.11 117.77 3gn1 h GLN 250 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3gn1 h GLN 250 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3gn1 h GLN 250 CO 0.01 0.00 0.00 0.98 -0.67 0.00 0.00 178.83 179.15 3gn1 n TYR 251 N -2.53 0.13 -3.46 2.96 9.36 -1.26 -4.95 117.16 117.40 3gn1 n TYR 251 Ca 0.00 -0.08 -0.39 0.00 3.32 0.00 0.00 57.90 60.75 3gn1 n TYR 251 Cb 0.19 -0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.80 3gn1 n TYR 251 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3gn1 s ILE 252 N -1.49 5.22 -0.03 2.97 1.01 -0.10 -5.04 121.20 123.75 3gn1 s ILE 252 Ca 0.25 0.36 -0.18 0.00 0.00 0.00 0.00 60.65 61.08 3gn1 s ILE 252 Cb 0.17 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 39.02 3gn1 s ILE 252 CO 0.24 0.16 0.39 0.28 0.00 0.00 0.00 174.94 176.01 3gn1 s THR 253 N 1.95 0.04 -1.72 2.92 -1.32 -1.26 -4.66 115.64 111.59 3gn1 s THR 253 Ca 0.12 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 3gn1 s THR 253 Cb -0.16 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 3gn1 s THR 253 CO 0.11 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 3gn1 n GLY 254 N 1.32 1.05 3.71 6.08 0.00 0.25 -4.94 105.19 112.65 3gn1 n GLY 254 Ca -0.20 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 3gn1 n GLY 254 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gn1 s SER 255 N -2.62 5.38 -0.25 1.61 0.01 -1.26 -4.83 113.70 111.74 3gn1 s SER 255 Ca 0.00 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.44 3gn1 s SER 255 Cb 0.00 -1.54 0.04 0.00 0.21 0.00 0.00 66.02 64.73 3gn1 s SER 255 CO 0.00 0.37 -0.10 -0.63 0.41 0.00 0.00 173.24 173.29 3gn1 s ILE 256 N -0.93 2.45 -0.38 1.44 1.01 -1.26 -0.79 121.20 122.75 3gn1 s ILE 256 Ca 0.14 -1.31 -0.20 0.00 0.00 0.00 0.00 60.65 59.28 3gn1 s ILE 256 Cb -0.11 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 40.05 3gn1 s ILE 256 CO 0.03 0.13 0.62 -0.63 0.00 0.00 0.00 174.94 175.09 3gn1 s ILE 257 N 1.22 4.89 0.13 2.92 1.01 0.16 -4.92 121.20 126.61 3gn1 s ILE 257 Ca -0.03 0.43 -0.31 0.00 0.00 0.00 0.00 60.65 60.73 3gn1 s ILE 257 Cb -0.18 -4.10 -0.08 0.00 0.01 0.00 0.00 42.46 38.12 3gn1 s ILE 257 CO -0.06 -0.38 1.36 -0.54 0.00 0.00 0.00 174.94 175.33 3gn1 s LYS 258 N 2.70 4.34 -0.60 2.79 1.02 -1.26 -1.44 119.74 127.29 3gn1 s LYS 258 Ca 0.23 2.05 0.06 0.00 0.02 0.00 0.00 55.97 58.33 3gn1 s LYS 258 Cb -0.14 -3.24 0.21 0.00 -0.52 0.00 0.00 37.83 34.14 3gn1 s LYS 258 CO 0.16 -0.39 0.58 0.28 -0.92 0.00 0.00 175.35 175.06 3gn1 n VAL 259 N 3.67 1.22 -0.62 3.17 0.31 -0.14 -4.90 118.33 121.04 3gn1 n VAL 259 Ca 0.10 -4.70 0.00 0.00 -0.01 0.00 0.00 64.34 59.73 3gn1 n VAL 259 Cb 0.43 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 3gn1 n VAL 259 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3gn1 n ASP 260 N 1.55 0.56 -1.25 4.52 5.75 -1.26 -3.19 116.55 123.23 3gn1 n ASP 260 Ca 0.25 -1.18 -0.16 0.00 -0.01 0.00 0.00 54.79 53.69 3gn1 n ASP 260 Cb 0.42 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.44 3gn1 n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gn1 n GLY 261 N -0.09 1.62 1.64 6.12 0.00 -1.26 -1.44 105.19 111.78 3gn1 n GLY 261 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3gn1 n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gn1 n GLY 262 N -0.78 0.67 0.33 -0.02 0.00 -1.26 -1.44 105.19 102.69 3gn1 n GLY 262 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 3gn1 n GLY 262 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gn1 h LEU 263 N 0.00 0.92 -0.38 0.99 5.85 -1.56 -2.34 115.31 118.79 3gn1 h LEU 263 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3gn1 h LEU 263 Cb 0.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.83 3gn1 h LEU 263 CO 0.00 0.62 0.00 -1.54 -0.34 0.00 0.00 178.44 177.18 3gn1 n SER 264 N -4.55 0.36 -0.15 1.25 3.41 -1.26 -1.98 113.62 110.69 3gn1 n SER 264 Ca 0.11 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.44 3gn1 n SER 264 Cb 0.11 -0.66 0.38 0.00 -0.26 0.00 0.00 64.21 63.78 3gn1 n SER 264 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gn1 n LEU 265 N -1.90 0.77 -4.60 1.04 4.77 -0.88 -4.86 117.00 111.35 3gn1 n LEU 265 Ca 0.03 -0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.47 3gn1 n LEU 265 Cb 0.20 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 3gn1 n LEU 265 CO 0.17 0.15 0.36 -0.69 -1.33 0.00 0.00 177.39 176.05 3gn1 s VAL 266 N -2.65 4.96 0.71 4.08 1.01 -0.84 -5.05 120.40 122.62 3gn1 s VAL 266 Ca 0.21 0.86 -0.14 0.00 0.00 0.00 0.00 61.98 62.91 3gn1 s VAL 266 Cb 0.19 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.63 3gn1 s VAL 266 CO 0.56 -0.10 1.13 -1.38 0.00 0.00 0.00 175.10 175.31 3gn1 s HIS 267 N 2.55 2.44 -1.87 5.22 -3.43 -1.26 -5.08 115.29 113.85 3gn1 s HIS 267 Ca 0.24 1.58 0.00 0.00 -0.80 0.00 0.00 55.06 56.08 3gn1 s HIS 267 Cb -0.15 -3.21 0.00 0.00 -1.43 0.00 0.00 32.58 27.79 3gn1 s HIS 267 CO 0.11 -1.95 0.47 0.00 -2.00 0.00 0.00 174.74 171.37