#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xcf s PRO 2 N 0.00 3.48 -0.11 0.00 0.04 -1.26 -5.09 135.00 132.06 2xcf s PRO 2 Ca 0.00 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 2xcf s PRO 2 Cb 0.00 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 2xcf s PRO 2 CO 0.00 -0.83 1.25 0.42 0.04 0.00 0.00 177.00 177.88 2xcf s ILE 3 N -1.44 4.23 0.05 0.56 1.01 -1.26 -5.01 121.20 119.33 2xcf s ILE 3 Ca 0.67 1.52 0.00 0.00 0.00 0.00 0.00 60.65 62.85 2xcf s ILE 3 Cb -0.34 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 2xcf s ILE 3 CO 0.40 -0.07 -0.04 0.42 0.00 0.00 0.00 174.94 175.65 2xcf s THR 4 N 2.94 0.29 -0.04 2.92 -4.23 -1.26 -4.99 115.64 111.27 2xcf s THR 4 Ca 0.56 -1.42 -0.06 0.00 -1.18 0.00 0.00 61.69 59.60 2xcf s THR 4 Cb -0.24 -0.98 0.01 0.00 1.34 0.00 0.00 72.50 72.63 2xcf s THR 4 CO 0.18 -0.73 0.15 0.00 -0.54 0.00 0.00 174.62 173.68 2xcf s ALA 5 N -2.68 -0.35 0.11 3.99 0.00 -1.26 -5.13 121.76 116.43 2xcf s ALA 5 Ca -0.03 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.26 2xcf s ALA 5 Cb -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2xcf s ALA 5 CO -0.05 -0.11 -0.13 1.52 0.00 0.00 0.00 175.76 176.99 2xcf s TYR 6 N -0.30 1.33 0.06 0.00 1.13 -1.26 -4.81 117.35 113.50 2xcf s TYR 6 Ca -0.04 -0.56 0.04 0.00 -1.41 0.00 0.00 57.07 55.10 2xcf s TYR 6 Cb -0.03 -0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 40.09 2xcf s TYR 6 CO 0.00 0.11 -0.02 0.00 -2.51 0.00 0.00 175.55 173.14 2xcf s ALA 7 N -2.12 3.22 -0.02 9.51 0.00 -1.26 -4.93 121.76 126.15 2xcf s ALA 7 Ca 0.07 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2xcf s ALA 7 Cb -0.05 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 21.90 2xcf s ALA 7 CO 0.02 0.67 -0.02 -0.65 0.00 0.00 0.00 175.76 175.79 2xcf s GLN 8 N -2.03 0.42 -0.08 0.00 -0.21 -1.26 -5.11 119.66 111.39 2xcf s GLN 8 Ca 0.23 -0.03 -0.21 0.00 0.02 0.00 0.00 55.36 55.37 2xcf s GLN 8 Cb -0.12 -0.51 -0.04 0.00 1.00 0.00 0.00 33.01 33.35 2xcf s GLN 8 CO 0.15 -0.06 0.59 -1.14 -2.12 0.00 0.00 175.29 172.71 2xcf s GLN 9 N 0.67 4.38 -0.00 2.91 0.74 -1.26 -4.97 119.66 122.14 2xcf s GLN 9 Ca -0.07 0.68 0.08 0.00 0.05 0.00 0.00 55.36 56.10 2xcf s GLN 9 Cb -0.10 -3.43 -0.10 0.00 1.10 0.00 0.00 33.01 30.48 2xcf s GLN 9 CO -0.01 0.14 0.34 0.25 -0.55 0.00 0.00 175.29 175.46 2xcf n THR 10 N 3.61 0.00 -3.80 -0.34 -2.24 -1.26 -5.03 114.28 105.22 2xcf n THR 10 Ca -0.04 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 2xcf n THR 10 Cb 0.51 0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 69.58 2xcf n THR 10 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2xcf s ARG 11 N -1.87 0.46 0.53 -0.78 0.52 -1.26 -5.12 118.95 111.43 2xcf s ARG 11 Ca 0.03 -0.02 0.08 0.00 -0.52 0.00 0.00 55.73 55.30 2xcf s ARG 11 Cb 0.06 0.21 0.06 0.00 0.52 0.00 0.00 34.95 35.80 2xcf s ARG 11 CO 0.35 -0.10 0.73 0.20 0.02 0.00 0.00 175.30 176.50 2xcf s GLY 12 N -0.72 1.81 0.15 -3.53 0.00 -1.26 -4.94 107.32 98.83 2xcf s GLY 12 Ca -0.08 -1.94 -0.30 0.00 0.00 0.00 0.00 44.72 42.40 2xcf s GLY 12 CO 0.02 -1.57 1.55 -2.00 0.00 0.00 0.00 173.10 171.10 2xcf h LEU 13 N 0.28 -1.82 -0.25 0.66 5.85 -2.02 -1.50 115.31 116.51 2xcf h LEU 13 Ca -0.34 0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2xcf h LEU 13 Cb 1.28 0.79 -0.03 0.00 0.37 0.00 0.00 40.66 43.07 2xcf h LEU 13 CO 0.42 -0.34 0.07 -0.07 -0.34 0.00 0.00 178.44 178.18 2xcf h LEU 14 N -0.24 0.05 -1.57 2.25 3.38 -2.00 -1.90 115.31 115.29 2xcf h LEU 14 Ca 0.14 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2xcf h LEU 14 Cb 0.54 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2xcf h LEU 14 CO -0.72 0.06 -0.22 1.23 0.09 0.00 0.00 178.44 178.88 2xcf h GLY 15 N 0.17 0.00 0.63 0.83 0.00 -1.89 -1.02 103.07 101.79 2xcf h GLY 15 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2xcf h GLY 15 CO -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.28 2xcf h ILE 17 N -0.73 0.34 -0.43 0.00 2.04 -1.13 0.88 117.51 118.48 2xcf h ILE 17 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 2xcf h ILE 17 Cb 0.49 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2xcf h ILE 17 CO 0.06 0.00 0.23 0.40 0.00 0.00 0.00 178.15 178.84 2xcf h ILE 18 N -0.30 1.01 -0.66 -0.67 2.04 -1.19 -1.90 117.51 115.84 2xcf h ILE 18 Ca 0.12 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 2xcf h ILE 18 Cb 0.50 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2xcf h ILE 18 CO -0.39 0.09 0.19 0.74 0.00 0.00 0.00 178.15 178.78 2xcf h THR 19 N 0.47 1.25 -0.47 -0.27 2.02 -0.52 -1.64 112.91 113.75 2xcf h THR 19 Ca 0.18 -0.86 0.09 0.00 0.77 0.00 0.00 66.41 66.58 2xcf h THR 19 Cb 0.04 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 66.91 2xcf h THR 19 CO -0.10 0.33 0.05 -1.28 0.37 0.00 0.00 175.52 174.89 2xcf h SER 20 N 0.98 -0.10 -0.15 4.18 0.87 0.15 0.18 113.55 119.66 2xcf h SER 20 Ca 0.21 0.10 -0.15 0.00 -1.23 0.00 0.00 61.79 60.73 2xcf h SER 20 Cb 0.30 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2xcf h SER 20 CO -0.01 -0.02 -0.48 -0.07 -0.53 0.00 0.00 176.83 175.72 2xcf h LEU 21 N 0.17 0.68 -0.81 2.23 3.38 -1.03 -3.23 115.31 116.71 2xcf h LEU 21 Ca 0.24 -0.60 -0.11 0.00 0.09 0.00 0.00 57.88 57.49 2xcf h LEU 21 Cb 0.33 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2xcf h LEU 21 CO -0.35 1.17 -0.52 0.71 0.09 0.00 0.00 178.44 179.53 2xcf h THR 22 N 0.24 1.21 -0.51 0.22 1.35 -1.25 -3.47 112.91 110.71 2xcf h THR 22 Ca -0.02 -1.90 -0.22 0.00 -0.55 0.00 0.00 66.41 63.72 2xcf h THR 22 Cb 1.11 2.07 -0.09 0.00 -1.73 0.00 0.00 68.15 69.52 2xcf h THR 22 CO 0.10 0.51 -0.20 0.61 -0.25 0.00 0.00 175.52 176.30 2xcf n GLY 23 N 0.28 1.04 3.34 5.82 0.00 0.63 -4.66 105.19 111.64 2xcf n GLY 23 Ca -0.01 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2xcf n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2xcf s ARG 24 N -2.84 3.39 -0.22 1.61 3.52 -1.25 -1.89 118.95 121.27 2xcf s ARG 24 Ca 0.00 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 2xcf s ARG 24 Cb 0.00 -3.11 0.06 0.00 -1.56 0.00 0.00 34.95 30.34 2xcf s ARG 24 CO 0.00 -0.22 -0.04 0.34 -0.81 0.00 0.00 175.30 174.56 2xcf s ASP 25 N 1.51 3.60 0.00 -2.12 -1.08 0.50 -4.78 116.67 114.30 2xcf s ASP 25 Ca 0.05 -1.07 0.25 0.00 -0.52 0.00 0.00 52.55 51.27 2xcf s ASP 25 Cb -0.15 -1.07 0.48 0.00 -1.46 0.00 0.00 42.92 40.72 2xcf s ASP 25 CO -0.01 -0.24 1.39 0.29 0.52 0.00 0.00 175.17 177.12 2xcf n LYS 26 N 4.75 0.46 -1.68 4.34 5.02 -1.26 -1.42 118.16 128.36 2xcf n LYS 26 Ca -0.12 -0.30 -0.39 0.00 -2.02 0.00 0.00 58.31 55.49 2xcf n LYS 26 Cb 0.45 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 34.01 2xcf n LYS 26 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2xcf n ASN 27 N -1.01 1.78 -4.77 4.39 4.13 -1.26 -4.99 115.26 113.53 2xcf n ASN 27 Ca 0.08 0.92 -0.38 0.00 1.68 0.00 0.00 54.58 56.88 2xcf n ASN 27 Cb 0.35 -1.48 -0.06 0.00 -1.54 0.00 0.00 39.78 37.05 2xcf n ASN 27 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2xcf s GLN 28 N -2.75 4.69 -0.16 3.52 0.74 -1.26 -4.96 119.66 119.48 2xcf s GLN 28 Ca 0.73 1.41 -0.04 0.00 0.05 0.00 0.00 55.36 57.51 2xcf s GLN 28 Cb -0.43 -3.00 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 2xcf s GLN 28 CO 0.49 0.37 -0.04 0.08 -0.55 0.00 0.00 175.29 175.64 2xcf s VAL 29 N -1.43 3.83 0.19 1.34 1.01 -1.26 -5.11 120.40 118.97 2xcf s VAL 29 Ca 0.46 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2xcf s VAL 29 Cb -0.22 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 2xcf s VAL 29 CO 0.28 0.48 0.00 -1.61 0.00 0.00 0.00 175.10 174.25 2xcf s GLU 30 N 0.48 1.19 0.00 2.72 2.02 -1.26 -3.58 118.70 120.26 2xcf s GLU 30 Ca -0.04 -1.58 0.00 0.00 0.02 0.00 0.00 54.97 53.37 2xcf s GLU 30 Cb -0.14 -0.38 0.00 0.00 0.10 0.00 0.00 34.13 33.71 2xcf s GLU 30 CO 0.03 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.60 2xcf n GLY 31 N -0.30 -0.55 0.08 -1.39 0.00 -1.26 -4.79 105.19 96.97 2xcf n GLY 31 Ca -0.06 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.19 2xcf n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2xcf n GLU 32 N -0.59 0.65 -5.05 1.61 4.71 -1.25 -1.86 120.64 118.85 2xcf n GLU 32 Ca 0.00 0.13 -0.30 0.00 -0.01 0.00 0.00 57.16 56.97 2xcf n GLU 32 Cb 0.00 -1.68 -0.17 0.00 -1.01 0.00 0.00 31.44 28.58 2xcf n GLU 32 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2xcf s VAL 33 N -2.74 1.83 -0.15 2.62 1.01 -1.26 -1.18 120.40 120.52 2xcf s VAL 33 Ca -0.06 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 2xcf s VAL 33 Cb 0.08 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2xcf s VAL 33 CO 0.83 0.51 0.04 -1.10 0.00 0.00 0.00 175.10 175.38 2xcf s GLN 34 N 0.43 3.65 -0.09 2.72 -1.52 0.57 -4.95 119.66 120.46 2xcf s GLN 34 Ca -0.18 -0.37 -0.26 0.00 -1.95 0.00 0.00 55.36 52.60 2xcf s GLN 34 Cb -0.17 -3.06 -0.02 0.00 -0.22 0.00 0.00 33.01 29.53 2xcf s GLN 34 CO 0.07 0.41 0.85 0.42 -0.25 0.00 0.00 175.29 176.80 2xcf s ILE 35 N -0.05 4.91 0.07 1.08 1.01 -1.26 -0.91 121.20 126.05 2xcf s ILE 35 Ca 0.05 1.72 0.06 0.00 0.00 0.00 0.00 60.65 62.48 2xcf s ILE 35 Cb -0.12 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 2xcf s ILE 35 CO 0.01 0.12 -0.16 0.68 0.00 0.00 0.00 174.94 175.60 2xcf s VAL 36 N 1.49 1.23 0.03 2.92 -7.23 0.86 -4.97 120.40 114.73 2xcf s VAL 36 Ca 0.42 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 59.35 2xcf s VAL 36 Cb -0.18 -1.15 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 2xcf s VAL 36 CO 0.18 -0.12 -0.07 -0.55 -0.31 0.00 0.00 175.10 174.24 2xcf s SER 37 N -1.59 0.71 0.32 4.85 0.15 -1.26 -0.70 113.70 116.18 2xcf s SER 37 Ca 0.01 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.23 2xcf s SER 37 Cb -0.09 0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.26 2xcf s SER 37 CO 0.02 -0.16 0.19 0.35 1.20 0.00 0.00 173.24 174.84 2xcf n THR 38 N 1.78 0.00 -0.02 6.45 -2.24 0.90 -5.00 114.28 116.15 2xcf n THR 38 Ca -0.21 -1.30 0.22 0.00 -2.27 0.00 0.00 64.05 60.49 2xcf n THR 38 Cb 0.55 -0.13 0.70 0.00 -2.10 0.00 0.00 70.33 69.36 2xcf n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xcf h ALA 39 N 0.79 2.53 0.00 6.98 0.00 -1.99 -3.29 119.26 124.28 2xcf h ALA 39 Ca -0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2xcf h ALA 39 Cb 0.74 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2xcf h ALA 39 CO 0.34 -0.73 -0.33 0.25 0.00 0.00 0.00 179.25 178.78 2xcf n THR 40 N -4.32 0.00 -3.88 0.00 -2.24 -1.26 -5.07 114.28 97.52 2xcf n THR 40 Ca 0.11 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 2xcf n THR 40 Cb 0.66 0.76 -0.13 0.00 -2.10 0.00 0.00 70.33 69.52 2xcf n THR 40 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2xcf s GLN 41 N -1.15 0.07 0.01 -0.78 -0.21 -1.24 -5.14 119.66 111.22 2xcf s GLN 41 Ca 0.00 -0.08 0.08 0.00 0.02 0.00 0.00 55.36 55.38 2xcf s GLN 41 Cb 0.00 0.03 -0.02 0.00 1.00 0.00 0.00 33.01 34.02 2xcf s GLN 41 CO 0.00 -0.01 -0.25 -0.08 -2.12 0.00 0.00 175.29 172.82 2xcf s THR 42 N -0.24 2.03 0.00 -0.19 -1.32 -1.26 -0.07 115.64 114.59 2xcf s THR 42 Ca -0.03 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.24 2xcf s THR 42 Cb -0.02 -1.71 0.00 0.00 -1.51 0.00 0.00 72.50 69.26 2xcf s THR 42 CO -0.00 0.47 0.00 2.22 -2.21 0.00 0.00 174.62 175.09 2xcf n PHE 43 N 2.16 -0.38 -4.39 9.09 -1.74 0.12 -4.37 117.46 117.96 2xcf n PHE 43 Ca -0.16 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.46 2xcf n PHE 43 Cb 0.52 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.39 2xcf n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2xcf s LEU 44 N 0.00 2.38 -0.05 5.98 1.43 -0.53 -0.10 118.68 127.80 2xcf s LEU 44 Ca 0.00 -0.81 0.02 0.00 -1.03 0.00 0.00 54.13 52.31 2xcf s LEU 44 Cb 0.00 -1.11 0.01 0.00 0.03 0.00 0.00 46.19 45.13 2xcf s LEU 44 CO 0.00 0.11 -0.08 0.00 0.23 0.00 0.00 176.35 176.61 2xcf s ALA 45 N -1.47 0.90 -0.13 4.21 0.00 -0.08 -4.15 121.76 121.03 2xcf s ALA 45 Ca 0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 51.96 51.89 2xcf s ALA 45 Cb -0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 2xcf s ALA 45 CO 0.08 0.07 -0.12 0.99 0.00 0.00 0.00 175.76 176.77 2xcf s THR 46 N 0.65 3.14 -0.34 0.00 2.01 0.73 -0.32 115.64 121.52 2xcf s THR 46 Ca -0.11 -0.63 -0.25 0.00 0.31 0.00 0.00 61.69 61.01 2xcf s THR 46 Cb -0.14 -2.32 0.01 0.00 0.01 0.00 0.00 72.50 70.06 2xcf s THR 46 CO 0.01 0.53 0.86 0.00 -0.69 0.00 0.00 174.62 175.33 2xcf s ILE 48 N 3.23 1.05 -1.26 0.00 1.01 0.15 -0.49 121.20 124.89 2xcf s ILE 48 Ca 0.35 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 2xcf s ILE 48 Cb -0.13 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 2xcf s ILE 48 CO 0.16 0.36 0.67 0.59 0.00 0.00 0.00 174.94 176.72 2xcf n ASN 49 N 4.67 -2.50 0.00 3.58 5.03 -1.06 -2.38 115.26 122.61 2xcf n ASN 49 Ca -0.15 -0.91 0.00 0.00 0.87 0.00 0.00 54.58 54.38 2xcf n ASN 49 Cb 0.50 -3.70 0.00 0.00 -1.02 0.00 0.00 39.78 35.57 2xcf n ASN 49 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2xcf n GLY 50 N -1.68 1.11 3.43 7.41 0.00 -1.26 -4.99 105.19 109.21 2xcf n GLY 50 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2xcf n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xcf s VAL 51 N -3.18 2.82 -0.43 1.61 1.01 -1.00 -1.13 120.40 120.10 2xcf s VAL 51 Ca 0.00 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 2xcf s VAL 51 Cb 0.00 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.33 2xcf s VAL 51 CO 0.00 0.59 0.42 0.00 0.00 0.00 0.00 175.10 176.11 2xcf s TRP 53 N 2.06 3.34 0.37 0.00 0.52 0.02 -1.26 118.94 123.99 2xcf s TRP 53 Ca 0.11 0.16 -0.13 0.00 0.02 0.00 0.00 56.10 56.26 2xcf s TRP 53 Cb -0.18 -1.69 0.05 0.00 -1.15 0.00 0.00 33.47 30.50 2xcf s TRP 53 CO 0.13 0.55 0.73 -2.37 0.02 0.00 0.00 176.95 176.01 2xcf n THR 54 N 0.45 0.00 -2.95 2.01 5.66 -0.68 -0.19 114.28 118.58 2xcf n THR 54 Ca -0.07 -0.98 -0.39 0.00 -3.05 0.00 0.00 64.05 59.56 2xcf n THR 54 Cb 0.51 0.94 -0.06 0.00 -1.55 0.00 0.00 70.33 70.17 2xcf n THR 54 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2xcf s VAL 55 N -2.19 4.34 0.22 1.08 -7.23 -1.26 -1.18 120.40 114.18 2xcf s VAL 55 Ca 0.16 1.71 -0.05 0.00 -1.81 0.00 0.00 61.98 61.98 2xcf s VAL 55 Cb -0.04 -4.12 0.09 0.00 0.56 0.00 0.00 36.38 32.87 2xcf s VAL 55 CO 0.12 0.45 1.70 0.22 -0.31 0.00 0.00 175.10 177.28 2xcf h TYR 56 N 4.09 0.99 0.00 2.82 5.03 -1.53 -1.43 116.97 126.93 2xcf h TYR 56 Ca -0.47 -0.16 0.00 0.00 2.58 0.00 0.00 58.73 60.68 2xcf h TYR 56 Cb 1.20 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 39.22 2xcf h TYR 56 CO 0.63 0.90 0.00 -2.39 -1.32 0.00 0.00 178.16 175.98 2xcf n HIS 57 N -4.19 0.13 -0.10 -3.82 1.44 -1.26 0.11 115.22 107.53 2xcf n HIS 57 Ca 0.03 0.06 -0.19 0.00 -2.01 0.00 0.00 57.72 55.61 2xcf n HIS 57 Cb 0.33 -0.59 -0.08 0.00 0.12 0.00 0.00 29.99 29.77 2xcf n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2xcf n GLY 58 N -0.83 -0.31 0.17 -1.39 0.00 -1.05 -4.75 105.19 97.03 2xcf n GLY 58 Ca 0.01 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.01 2xcf n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xcf h ALA 59 N -0.45 0.78 -0.47 4.61 0.00 -1.03 -3.47 119.26 119.24 2xcf h ALA 59 Ca -0.49 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2xcf h ALA 59 Cb 1.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2xcf h ALA 59 CO -0.22 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2xcf n GLY 60 N 1.17 2.58 1.50 0.00 0.00 0.12 -1.84 105.19 108.72 2xcf n GLY 60 Ca 0.01 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.95 2xcf n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2xcf n THR 61 N 0.00 1.85 -1.52 2.61 -2.24 -1.26 -4.87 114.28 108.86 2xcf n THR 61 Ca 0.00 -1.24 -0.35 0.00 -2.27 0.00 0.00 64.05 60.19 2xcf n THR 61 Cb 0.00 0.11 0.09 0.00 -2.10 0.00 0.00 70.33 68.43 2xcf n THR 61 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2xcf s ARG 62 N -1.89 2.25 0.84 -0.78 0.52 -0.77 -4.77 118.95 114.35 2xcf s ARG 62 Ca 0.49 1.81 -0.12 0.00 -0.52 0.00 0.00 55.73 57.39 2xcf s ARG 62 Cb 0.32 -1.84 0.09 0.00 0.52 0.00 0.00 34.95 34.05 2xcf s ARG 62 CO 0.23 -1.76 1.13 0.95 0.02 0.00 0.00 175.30 175.87 2xcf s THR 63 N -1.87 2.45 -0.11 0.02 -4.23 -1.26 -4.50 115.64 106.14 2xcf s THR 63 Ca 0.76 0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 61.41 2xcf s THR 63 Cb -0.30 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.54 2xcf s THR 63 CO 0.44 -0.19 -0.08 -0.51 -0.54 0.00 0.00 174.62 173.74 2xcf s ILE 64 N -3.32 3.57 0.33 2.99 2.07 -0.48 -4.89 121.20 121.48 2xcf s ILE 64 Ca 0.62 -0.50 -0.29 0.00 -1.41 0.00 0.00 60.65 59.07 2xcf s ILE 64 Cb -0.13 -2.50 -0.11 0.00 0.13 0.00 0.00 42.46 39.85 2xcf s ILE 64 CO 0.52 0.55 1.40 0.00 -1.91 0.00 0.00 174.94 175.50 2xcf s ALA 65 N -0.16 3.55 0.29 1.50 0.00 -1.26 -1.38 121.76 124.30 2xcf s ALA 65 Ca 0.01 1.38 -0.03 0.00 0.00 0.00 0.00 51.96 53.33 2xcf s ALA 65 Cb -0.13 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 2xcf s ALA 65 CO 0.03 -0.80 0.37 -1.54 0.00 0.00 0.00 175.76 173.82 2xcf s SER 66 N -0.20 0.63 0.28 0.00 1.04 -1.08 -4.71 113.70 109.66 2xcf s SER 66 Ca 0.52 -1.38 0.22 0.00 0.48 0.00 0.00 55.95 55.80 2xcf s SER 66 Cb -0.43 0.57 1.06 0.00 0.10 0.00 0.00 66.02 67.32 2xcf s SER 66 CO 0.54 -1.13 1.67 -2.65 0.98 0.00 0.00 173.24 172.65 2xcf n PRO 67 N -0.47 0.16 -0.40 4.02 -0.02 -0.51 -0.37 135.00 137.41 2xcf n PRO 67 Ca 0.01 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 62.09 2xcf n PRO 67 Cb 0.63 -1.91 0.21 0.00 -0.02 0.00 0.00 33.50 32.41 2xcf n PRO 67 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2xcf n LYS 68 N -2.23 2.19 0.00 -0.52 5.02 -1.26 -4.73 118.16 116.62 2xcf n LYS 68 Ca 0.00 -2.85 0.00 0.00 -2.02 0.00 0.00 58.31 53.44 2xcf n LYS 68 Cb 0.13 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 2xcf n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xcf n GLY 69 N -0.92 -2.40 3.75 0.72 0.00 -0.92 -4.98 105.19 100.45 2xcf n GLY 69 Ca 0.22 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 2xcf n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2xcf s PRO 70 N -0.32 3.09 -0.05 1.61 0.02 -0.79 -2.83 135.00 135.73 2xcf s PRO 70 Ca 0.00 2.04 0.04 0.00 0.02 0.00 0.00 61.00 63.10 2xcf s PRO 70 Cb 0.00 -2.13 -0.00 0.00 0.02 0.00 0.00 34.50 32.39 2xcf s PRO 70 CO 0.00 -1.17 -0.17 0.08 -0.33 0.00 0.00 177.00 175.41 2xcf s VAL 71 N -1.42 1.47 0.30 3.83 1.01 -0.48 -4.93 120.40 120.19 2xcf s VAL 71 Ca 0.74 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 2xcf s VAL 71 Cb -0.36 -1.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.66 2xcf s VAL 71 CO 0.41 0.43 0.76 -0.51 0.00 0.00 0.00 175.10 176.19 2xcf s ILE 72 N 0.15 4.59 0.36 2.22 1.10 -1.26 -1.38 121.20 126.98 2xcf s ILE 72 Ca -0.07 1.15 -0.27 0.00 -0.51 0.00 0.00 60.65 60.96 2xcf s ILE 72 Cb -0.13 -3.71 -0.12 0.00 0.15 0.00 0.00 42.46 38.65 2xcf s ILE 72 CO 0.03 -0.05 1.20 0.00 -2.11 0.00 0.00 174.94 174.01 2xcf n GLN 73 N 0.03 1.85 0.01 3.50 6.02 -1.26 -4.72 117.38 122.82 2xcf n GLN 73 Ca 0.02 0.65 -0.09 0.00 -0.01 0.00 0.00 57.00 57.57 2xcf n GLN 73 Cb 0.52 -2.22 -0.13 0.00 1.02 0.00 0.00 30.24 29.43 2xcf n GLN 73 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 2xcf h MET 74 N 2.22 0.02 -4.00 -1.09 2.86 -0.50 -3.48 114.93 110.96 2xcf h MET 74 Ca -0.45 -0.04 -0.26 0.00 -2.06 0.00 0.00 59.70 56.90 2xcf h MET 74 Cb 1.30 0.01 -0.27 0.00 0.06 0.00 0.00 31.60 32.71 2xcf h MET 74 CO 0.61 0.73 -0.73 0.71 1.06 0.00 0.00 176.91 179.29 2xcf s TYR 75 N -2.64 0.23 -0.10 -0.22 2.02 -0.97 -4.98 117.35 110.69 2xcf s TYR 75 Ca -0.03 -0.13 -0.05 0.00 -0.37 0.00 0.00 57.07 56.49 2xcf s TYR 75 Cb 0.09 -0.15 0.04 0.00 -0.40 0.00 0.00 41.96 41.54 2xcf s TYR 75 CO 0.82 -0.03 0.22 0.99 -1.57 0.00 0.00 175.55 175.99 2xcf s THR 76 N -0.32 -0.04 -0.42 -0.71 2.01 -1.26 -1.51 115.64 113.40 2xcf s THR 76 Ca -0.02 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.16 2xcf s THR 76 Cb -0.03 -0.35 0.17 0.00 0.01 0.00 0.00 72.50 72.31 2xcf s THR 76 CO -0.00 0.06 0.48 0.21 -0.69 0.00 0.00 174.62 174.68 2xcf s ASN 77 N 1.11 0.24 0.28 3.53 3.84 -0.42 -5.01 114.94 118.50 2xcf s ASN 77 Ca -0.08 -1.78 0.01 0.00 0.21 0.00 0.00 52.86 51.22 2xcf s ASN 77 Cb -0.10 0.88 0.59 0.00 -0.55 0.00 0.00 41.25 42.07 2xcf s ASN 77 CO -0.07 -0.18 1.79 0.58 -2.79 0.00 0.00 177.10 176.42 2xcf h VAL 78 N 4.94 0.78 -0.01 -5.21 2.07 -1.96 -1.04 116.25 115.81 2xcf h VAL 78 Ca 0.09 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2xcf h VAL 78 Cb 1.06 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2xcf h VAL 78 CO 0.17 0.14 0.01 0.44 0.02 0.00 0.00 177.57 178.35 2xcf h ASP 79 N 0.76 0.02 0.73 0.57 3.32 -1.95 -2.61 116.42 117.25 2xcf h ASP 79 Ca 0.50 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2xcf h ASP 79 Cb 0.67 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2xcf h ASP 79 CO -0.34 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 177.34 2xcf n GLN 80 N -5.01 0.04 -3.11 3.56 1.13 -0.93 -4.91 117.38 108.16 2xcf n GLN 80 Ca -0.07 0.21 -0.14 0.00 -1.94 0.00 0.00 57.00 55.06 2xcf n GLN 80 Cb 0.10 -1.57 0.05 0.00 0.11 0.00 0.00 30.24 28.93 2xcf n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2xcf n ASP 81 N -1.65 -4.05 -4.06 1.08 2.03 -0.46 -4.93 116.55 104.51 2xcf n ASP 81 Ca 0.04 -0.35 -0.19 0.00 0.52 0.00 0.00 54.79 54.82 2xcf n ASP 81 Cb 0.24 -3.32 -0.14 0.00 -0.72 0.00 0.00 41.12 37.18 2xcf n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2xcf s LEU 82 N -4.85 2.06 0.02 -2.67 2.96 -0.79 -1.53 118.68 113.87 2xcf s LEU 82 Ca 0.27 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2xcf s LEU 82 Cb -0.12 -0.51 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 2xcf s LEU 82 CO 0.45 0.09 0.04 -0.69 -1.32 0.00 0.00 176.35 174.92 2xcf s VAL 83 N -0.39 0.11 -0.04 1.68 1.01 -0.33 -1.30 120.40 121.15 2xcf s VAL 83 Ca 0.03 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 2xcf s VAL 83 Cb -0.05 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.88 2xcf s VAL 83 CO -0.00 -0.50 0.21 -0.83 0.00 0.00 0.00 175.10 173.97 2xcf s GLY 84 N -1.60 -0.09 0.23 4.51 0.00 -0.57 -1.68 107.32 108.12 2xcf s GLY 84 Ca -0.13 0.30 0.08 0.00 0.00 0.00 0.00 44.72 44.98 2xcf s GLY 84 CO -0.01 0.18 -0.14 -0.98 0.00 0.00 0.00 173.10 172.15 2xcf s TRP 85 N -0.67 1.87 0.32 1.90 0.51 -0.39 0.30 118.94 122.77 2xcf s TRP 85 Ca -0.08 -0.56 -0.29 0.00 -2.12 0.00 0.00 56.10 53.05 2xcf s TRP 85 Cb -0.04 -0.90 -0.11 0.00 -0.81 0.00 0.00 33.47 31.60 2xcf s TRP 85 CO 0.01 0.41 1.55 -1.25 -0.51 0.00 0.00 176.95 177.16 2xcf s PRO 86 N -3.64 4.12 0.18 4.98 0.04 -1.26 -0.28 135.00 139.15 2xcf s PRO 86 Ca 0.25 2.57 -0.33 0.00 0.04 0.00 0.00 61.00 63.53 2xcf s PRO 86 Cb -0.00 -3.01 -0.14 0.00 0.04 0.00 0.00 34.50 31.39 2xcf s PRO 86 CO 0.09 -0.59 1.48 0.00 0.04 0.00 0.00 177.00 178.02 2xcf n ALA 87 N 1.61 1.00 -1.62 8.56 0.00 -0.28 -4.50 120.51 125.28 2xcf n ALA 87 Ca 0.06 0.44 -0.38 0.00 0.00 0.00 0.00 53.44 53.55 2xcf n ALA 87 Cb 0.38 -2.29 0.04 0.00 0.00 0.00 0.00 19.45 17.59 2xcf n ALA 87 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2xcf n PRO 88 N 2.77 1.04 -1.71 0.00 -0.02 -1.26 -4.91 135.00 130.91 2xcf n PRO 88 Ca 0.15 0.39 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 2xcf n PRO 88 Cb 0.29 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 2xcf n PRO 88 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2xcf n GLN 89 N -0.74 2.55 0.00 -0.52 1.13 -1.26 -2.41 117.38 116.14 2xcf n GLN 89 Ca 0.12 0.92 0.00 0.00 -1.94 0.00 0.00 57.00 56.10 2xcf n GLN 89 Cb 0.45 -2.71 0.00 0.00 0.11 0.00 0.00 30.24 28.09 2xcf n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2xcf n GLY 90 N 3.25 3.22 3.53 1.08 0.00 -1.26 -4.25 105.19 110.76 2xcf n GLY 90 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2xcf n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2xcf s SER 91 N -0.19 0.88 -0.00 1.61 1.04 -1.01 -4.36 113.70 111.67 2xcf s SER 91 Ca 0.00 0.94 0.01 0.00 0.48 0.00 0.00 55.95 57.38 2xcf s SER 91 Cb 0.00 -1.40 -0.00 0.00 0.10 0.00 0.00 66.02 64.71 2xcf s SER 91 CO 0.00 -4.18 -0.03 -0.60 0.98 0.00 0.00 173.24 169.41 2xcf s ARG 92 N -5.08 0.25 -0.00 4.02 3.52 -0.78 -4.87 118.95 116.01 2xcf s ARG 92 Ca 0.69 -0.14 -0.01 0.00 -0.13 0.00 0.00 55.73 56.14 2xcf s ARG 92 Cb -0.15 -0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 32.98 2xcf s ARG 92 CO 0.58 0.06 0.12 -1.12 -0.81 0.00 0.00 175.30 174.13 2xcf s SER 93 N -0.16 5.93 0.71 -2.12 0.01 -1.26 -3.94 113.70 112.87 2xcf s SER 93 Ca 0.00 0.21 -0.10 0.00 1.31 0.00 0.00 55.95 57.37 2xcf s SER 93 Cb -0.02 -1.76 0.03 0.00 0.21 0.00 0.00 66.02 64.48 2xcf s SER 93 CO -0.00 0.26 1.08 -0.76 0.41 0.00 0.00 173.24 174.23 2xcf s LEU 94 N -1.86 2.86 -0.07 2.44 1.43 0.36 -4.86 118.68 118.99 2xcf s LEU 94 Ca 0.25 0.95 0.03 0.00 -1.03 0.00 0.00 54.13 54.33 2xcf s LEU 94 Cb -0.12 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 2xcf s LEU 94 CO 0.16 -1.43 -0.14 -0.89 0.23 0.00 0.00 176.35 174.28 2xcf s THR 95 N -3.34 3.06 0.64 5.49 2.01 -1.26 -2.57 115.64 119.67 2xcf s THR 95 Ca 0.58 -0.71 -0.18 0.00 0.31 0.00 0.00 61.69 61.69 2xcf s THR 95 Cb -0.11 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.18 2xcf s THR 95 CO 0.50 0.58 1.27 -2.84 -0.69 0.00 0.00 174.62 173.44 2xcf s PRO 96 N -0.49 2.59 0.08 4.92 0.02 -1.26 0.41 135.00 141.27 2xcf s PRO 96 Ca 0.06 2.01 -0.19 0.00 0.02 0.00 0.00 61.00 62.90 2xcf s PRO 96 Cb -0.12 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 2xcf s PRO 96 CO 0.02 -1.55 0.57 0.00 -0.33 0.00 0.00 177.00 175.71 2xcf n THR 98 N 1.62 1.08 1.01 0.00 -2.24 -1.26 -4.69 114.28 109.79 2xcf n THR 98 Ca -0.10 -1.47 0.11 0.00 -2.27 0.00 0.00 64.05 60.32 2xcf n THR 98 Cb 0.51 0.15 -0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2xcf n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xcf n GLY 100 N 1.49 0.86 3.44 0.00 0.00 -1.26 -4.95 105.19 104.76 2xcf n GLY 100 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2xcf n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2xcf n SER 101 N -0.47 -1.83 -0.26 1.61 2.88 -1.26 -4.98 113.62 109.30 2xcf n SER 101 Ca -0.09 0.37 0.05 0.00 -1.33 0.00 0.00 58.87 57.86 2xcf n SER 101 Cb 0.46 -1.22 0.01 0.00 -0.75 0.00 0.00 64.21 62.71 2xcf n SER 101 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2xcf n SER 102 N -1.35 1.35 -4.53 -3.46 7.64 -1.26 -4.89 113.62 107.12 2xcf n SER 102 Ca 0.07 -1.18 -0.41 0.00 1.01 0.00 0.00 58.87 58.36 2xcf n SER 102 Cb 0.53 0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 63.96 2xcf n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2xcf s ASP 103 N -1.13 6.21 0.25 6.43 1.01 -1.26 -1.33 116.67 126.85 2xcf s ASP 103 Ca 0.09 -0.30 0.10 0.00 0.71 0.00 0.00 52.55 53.15 2xcf s ASP 103 Cb 0.08 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 2xcf s ASP 103 CO 0.20 -0.42 -0.05 -0.76 0.21 0.00 0.00 175.17 174.35 2xcf s LEU 104 N 2.11 3.07 -0.16 1.23 1.43 0.96 -4.01 118.68 123.31 2xcf s LEU 104 Ca 0.13 -0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2xcf s LEU 104 Cb -0.16 -1.61 0.05 0.00 0.03 0.00 0.00 46.19 44.49 2xcf s LEU 104 CO 0.12 0.02 -0.01 -0.31 0.23 0.00 0.00 176.35 176.41 2xcf s TYR 105 N -2.25 1.25 -0.03 0.29 1.51 0.43 0.36 117.35 118.92 2xcf s TYR 105 Ca 0.30 -0.82 -0.25 0.00 -1.01 0.00 0.00 57.07 55.29 2xcf s TYR 105 Cb -0.07 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 2xcf s TYR 105 CO 0.18 -0.56 0.77 -1.17 -1.11 0.00 0.00 175.55 173.67 2xcf s LEU 106 N 1.78 4.36 -0.25 -1.29 2.96 0.34 -0.48 118.68 126.10 2xcf s LEU 106 Ca 0.01 1.34 -0.09 0.00 -0.22 0.00 0.00 54.13 55.17 2xcf s LEU 106 Cb -0.15 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.28 2xcf s LEU 106 CO -0.07 -0.11 0.12 -0.69 -1.32 0.00 0.00 176.35 174.28 2xcf s VAL 107 N 0.62 4.85 0.49 1.68 1.01 -0.89 -0.19 120.40 127.98 2xcf s VAL 107 Ca 0.40 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.43 2xcf s VAL 107 Cb -0.19 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 32.94 2xcf s VAL 107 CO 0.21 0.33 0.68 0.42 0.00 0.00 0.00 175.10 176.75 2xcf s THR 108 N 1.36 2.86 0.45 3.92 -4.23 -0.75 -4.31 115.64 114.93 2xcf s THR 108 Ca 0.06 -0.81 0.41 0.00 -1.18 0.00 0.00 61.69 60.17 2xcf s THR 108 Cb -0.15 -3.02 0.43 0.00 1.34 0.00 0.00 72.50 71.10 2xcf s THR 108 CO 0.05 -0.01 2.23 0.08 -0.54 0.00 0.00 174.62 176.43 2xcf h ARG 109 N 0.33 0.00 -0.01 3.99 0.11 -1.87 -1.16 114.38 115.76 2xcf h ARG 109 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 2xcf h ARG 109 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 2xcf h ARG 109 CO 0.49 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.28 2xcf n HIS 110 N -3.09 0.01 -1.81 4.08 8.25 -1.26 -4.91 115.22 116.49 2xcf n HIS 110 Ca -0.02 -0.01 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 2xcf n HIS 110 Cb 0.16 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 2xcf n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2xcf n ALA 111 N -0.72 -0.26 -2.41 -1.41 0.00 -0.44 -4.77 120.51 110.50 2xcf n ALA 111 Ca 0.20 0.13 -0.27 0.00 0.00 0.00 0.00 53.44 53.49 2xcf n ALA 111 Cb 0.13 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 2xcf n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2xcf s ASP 112 N -2.67 6.36 -0.23 0.00 1.01 -1.26 -4.46 116.67 115.41 2xcf s ASP 112 Ca 0.00 0.79 0.02 0.00 0.71 0.00 0.00 52.55 54.08 2xcf s ASP 112 Cb 0.00 -2.18 0.05 0.00 1.01 0.00 0.00 42.92 41.79 2xcf s ASP 112 CO 0.00 -0.39 -0.14 -0.69 0.21 0.00 0.00 175.17 174.17 2xcf s VAL 113 N -2.42 2.15 -0.09 -1.27 1.01 -1.26 -1.82 120.40 116.71 2xcf s VAL 113 Ca 0.45 -1.41 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2xcf s VAL 113 Cb -0.10 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 2xcf s VAL 113 CO 0.37 0.16 -0.16 0.27 0.00 0.00 0.00 175.10 175.74 2xcf s ILE 114 N 1.16 2.86 0.43 2.22 -4.36 0.74 -4.91 121.20 119.35 2xcf s ILE 114 Ca -0.04 -0.76 -0.23 0.00 -0.26 0.00 0.00 60.65 59.35 2xcf s ILE 114 Cb -0.18 -2.15 -0.08 0.00 1.25 0.00 0.00 42.46 41.30 2xcf s ILE 114 CO -0.08 0.56 1.10 -2.16 0.24 0.00 0.00 174.94 174.60 2xcf s PRO 115 N -0.11 3.97 -0.03 0.37 0.04 -1.26 -0.51 135.00 137.47 2xcf s PRO 115 Ca -0.02 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 2xcf s PRO 115 Cb -0.14 -2.47 0.03 0.00 0.04 0.00 0.00 34.50 31.97 2xcf s PRO 115 CO 0.04 -0.34 0.06 0.08 0.04 0.00 0.00 177.00 176.88 2xcf s VAL 116 N -1.62 -0.07 -0.30 -0.36 1.01 0.16 -3.38 120.40 115.84 2xcf s VAL 116 Ca 0.61 0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.68 2xcf s VAL 116 Cb -0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 2xcf s VAL 116 CO 0.31 0.10 0.38 -0.60 0.00 0.00 0.00 175.10 175.29 2xcf s ARG 117 N 1.27 3.85 0.15 2.72 6.06 0.11 -0.03 118.95 133.09 2xcf s ARG 117 Ca -0.07 -0.11 -0.31 0.00 -2.50 0.00 0.00 55.73 52.75 2xcf s ARG 117 Cb -0.13 -3.71 -0.08 0.00 0.06 0.00 0.00 34.95 31.09 2xcf s ARG 117 CO -0.04 -0.38 1.39 0.50 -2.50 0.00 0.00 175.30 174.27 2xcf s ARG 118 N 2.09 4.32 -0.37 5.12 3.52 -0.44 -0.50 118.95 132.70 2xcf s ARG 118 Ca 0.14 2.11 0.14 0.00 -0.13 0.00 0.00 55.73 57.99 2xcf s ARG 118 Cb -0.16 -3.22 0.40 0.00 -1.56 0.00 0.00 34.95 30.41 2xcf s ARG 118 CO 0.11 -0.41 0.85 0.54 -0.81 0.00 0.00 175.30 175.59 2xcf n ARG 119 N 3.52 1.32 0.00 5.12 1.74 -0.52 -4.91 116.66 122.92 2xcf n ARG 119 Ca 0.10 -3.49 0.00 0.00 -0.77 0.00 0.00 57.85 53.69 2xcf n ARG 119 Cb 0.42 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 2xcf n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xcf n GLY 120 N 0.07 1.54 0.26 -0.13 0.00 -1.25 -4.71 105.19 100.98 2xcf n GLY 120 Ca 0.20 -2.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.09 2xcf n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2xcf h ASP 121 N 0.00 0.84 -0.04 1.61 3.32 -1.99 -3.34 116.42 116.81 2xcf h ASP 121 Ca 0.00 -0.21 -0.17 0.00 0.02 0.00 0.00 57.03 56.67 2xcf h ASP 121 Cb 0.00 -0.22 -0.35 0.00 0.22 0.00 0.00 39.33 38.98 2xcf h ASP 121 CO 0.00 0.82 -0.99 -1.54 -1.72 0.00 0.00 179.24 175.82 2xcf n SER 122 N -4.43 1.17 -3.91 6.45 3.41 -1.26 -4.66 113.62 110.39 2xcf n SER 122 Ca 0.03 -2.23 -0.11 0.00 -0.26 0.00 0.00 58.87 56.30 2xcf n SER 122 Cb 0.21 -0.34 -0.12 0.00 -0.26 0.00 0.00 64.21 63.70 2xcf n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2xcf s ARG 123 N -0.70 0.24 -0.08 4.33 6.06 -1.25 -1.76 118.95 125.78 2xcf s ARG 123 Ca 0.34 -0.28 -0.23 0.00 -2.50 0.00 0.00 55.73 53.06 2xcf s ARG 123 Cb 0.38 0.10 0.05 0.00 0.06 0.00 0.00 34.95 35.54 2xcf s ARG 123 CO -0.15 -0.05 0.53 0.20 -2.50 0.00 0.00 175.30 173.34 2xcf s GLY 124 N -0.83 -0.40 -0.00 8.12 0.00 -0.59 -1.44 107.32 112.18 2xcf s GLY 124 Ca -0.09 1.08 -0.01 0.00 0.00 0.00 0.00 44.72 45.69 2xcf s GLY 124 CO -0.00 0.80 0.12 -1.35 0.00 0.00 0.00 173.10 172.67 2xcf s SER 125 N -0.84 5.96 0.34 1.64 1.04 0.34 0.14 113.70 122.33 2xcf s SER 125 Ca -0.09 0.22 -0.27 0.00 0.48 0.00 0.00 55.95 56.29 2xcf s SER 125 Cb -0.03 -1.78 -0.09 0.00 0.10 0.00 0.00 66.02 64.22 2xcf s SER 125 CO 0.06 0.26 1.12 -0.76 0.98 0.00 0.00 173.24 174.90 2xcf s LEU 126 N -1.84 4.36 0.32 2.42 1.43 -0.28 -0.71 118.68 124.38 2xcf s LEU 126 Ca 0.25 2.26 0.17 0.00 -1.03 0.00 0.00 54.13 55.79 2xcf s LEU 126 Cb -0.12 -3.85 0.14 0.00 0.03 0.00 0.00 46.19 42.39 2xcf s LEU 126 CO 0.16 -0.38 1.48 -0.07 0.23 0.00 0.00 176.35 177.77 2xcf h LEU 127 N 3.20 0.00 -7.01 1.79 3.38 -1.88 -3.42 115.31 111.38 2xcf h LEU 127 Ca -0.48 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.05 2xcf h LEU 127 Cb 1.22 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.57 2xcf h LEU 127 CO 0.65 0.35 -0.74 -0.94 0.09 0.00 0.00 178.44 177.85 2xcf s SER 128 N -6.36 2.25 0.84 -0.43 1.04 -1.26 -5.15 113.70 104.62 2xcf s SER 128 Ca 0.05 -0.58 -0.14 0.00 0.48 0.00 0.00 55.95 55.76 2xcf s SER 128 Cb 0.07 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.04 2xcf s SER 128 CO 0.72 -0.35 0.61 -0.81 0.98 0.00 0.00 173.24 174.40 2xcf n PRO 129 N 5.28 0.02 -3.92 4.02 -0.04 -1.26 -5.04 135.00 134.06 2xcf n PRO 129 Ca -0.07 0.06 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 2xcf n PRO 129 Cb 0.49 -1.96 -0.12 0.00 -0.04 0.00 0.00 33.50 31.87 2xcf n PRO 129 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2xcf s ARG 130 N -3.41 0.23 0.23 0.54 1.81 -0.85 -4.99 118.95 112.51 2xcf s ARG 130 Ca 0.63 -0.32 -0.32 0.00 -1.72 0.00 0.00 55.73 54.01 2xcf s ARG 130 Cb -0.28 0.09 -0.13 0.00 -0.45 0.00 0.00 34.95 34.18 2xcf s ARG 130 CO 0.61 -0.04 1.43 -2.30 -0.68 0.00 0.00 175.30 174.32 2xcf n PRO 131 N 2.15 2.06 -0.31 3.54 -0.01 -1.26 -0.98 135.00 140.19 2xcf n PRO 131 Ca -0.19 0.73 0.22 0.00 -0.01 0.00 0.00 63.50 64.25 2xcf n PRO 131 Cb 0.57 -2.41 0.51 0.00 -0.01 0.00 0.00 33.50 32.16 2xcf n PRO 131 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 175.50 176.46 2xcf h ILE 132 N 3.13 0.56 0.00 4.25 6.09 -1.28 0.30 117.51 130.55 2xcf h ILE 132 Ca -0.45 -0.14 -0.01 0.00 -1.37 0.00 0.00 64.86 62.89 2xcf h ILE 132 Cb 1.27 0.13 -0.00 0.00 0.47 0.00 0.00 36.82 38.69 2xcf h ILE 132 CO 0.77 0.07 -0.06 0.77 -3.07 0.00 0.00 178.15 176.63 2xcf h SER 133 N 0.40 0.00 0.08 2.19 4.64 -1.88 -1.42 113.55 117.56 2xcf h SER 133 Ca 0.56 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.88 2xcf h SER 133 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2xcf h SER 133 CO -0.26 0.06 -0.04 0.22 -0.87 0.00 0.00 176.83 175.94 2xcf h TYR 134 N 0.00 -0.10 0.00 4.77 5.03 -0.75 -3.23 116.97 122.69 2xcf h TYR 134 Ca -0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2xcf h TYR 134 Cb 0.48 0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.79 2xcf h TYR 134 CO 0.00 0.14 0.00 -0.07 -1.32 0.00 0.00 178.16 176.91 2xcf h LEU 135 N -0.33 0.00 -9.69 2.82 3.38 -1.37 -3.46 115.31 106.65 2xcf h LEU 135 Ca -0.01 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.39 2xcf h LEU 135 Cb 0.29 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.13 2xcf h LEU 135 CO 0.02 0.00 0.66 1.17 0.09 0.00 0.00 178.44 180.38 2xcf n LYS 136 N -2.86 2.25 -0.89 1.13 4.81 -0.60 -1.01 118.16 120.99 2xcf n LYS 136 Ca 0.01 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 2xcf n LYS 136 Cb 0.31 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 32.89 2xcf n LYS 136 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2xcf n GLY 137 N 1.74 0.66 0.00 3.14 0.00 -1.26 -4.92 105.19 104.56 2xcf n GLY 137 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 2xcf n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2xcf n SER 138 N 0.00 0.91 -4.64 1.61 7.64 -0.18 -4.02 113.62 114.94 2xcf n SER 138 Ca 0.00 -0.86 -0.44 0.00 1.01 0.00 0.00 58.87 58.58 2xcf n SER 138 Cb 0.00 0.87 -0.01 0.00 -1.01 0.00 0.00 64.21 64.06 2xcf n SER 138 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2xcf n ALA 139 N -1.50 0.41 0.00 -0.43 0.00 -1.26 -1.88 120.51 115.85 2xcf n ALA 139 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2xcf n ALA 139 Cb 0.33 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2xcf n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xcf n GLY 140 N 1.11 1.51 3.90 0.00 0.00 0.28 -1.45 105.19 110.54 2xcf n GLY 140 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2xcf n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2xcf s GLY 141 N -2.23 1.58 0.25 -0.02 0.00 -0.79 -3.28 107.32 102.84 2xcf s GLY 141 Ca 0.00 -0.45 -0.23 0.00 0.00 0.00 0.00 44.72 44.05 2xcf s GLY 141 CO 0.00 -0.20 0.81 2.56 0.00 0.00 0.00 173.10 176.26 2xcf s PRO 142 N -4.98 4.41 -0.20 2.90 0.04 -1.26 -0.80 135.00 135.10 2xcf s PRO 142 Ca 0.52 1.07 -0.10 0.00 0.04 0.00 0.00 61.00 62.53 2xcf s PRO 142 Cb -0.11 -2.91 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 2xcf s PRO 142 CO 0.48 0.38 0.13 -0.51 0.04 0.00 0.00 177.00 177.51 2xcf s LEU 143 N -1.88 4.16 0.14 -3.56 1.02 -0.09 -2.09 118.68 116.38 2xcf s LEU 143 Ca 0.44 0.21 0.08 0.00 0.02 0.00 0.00 54.13 54.88 2xcf s LEU 143 Cb -0.18 -2.08 -0.04 0.00 0.02 0.00 0.00 46.19 43.91 2xcf s LEU 143 CO 0.23 0.17 -0.12 -0.76 0.02 0.00 0.00 176.35 175.89 2xcf s LEU 144 N 0.41 2.91 0.75 1.79 1.43 0.37 -0.58 118.68 125.75 2xcf s LEU 144 Ca 0.07 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.59 2xcf s LEU 144 Cb -0.11 -1.66 0.11 0.00 0.03 0.00 0.00 46.19 44.55 2xcf s LEU 144 CO -0.01 0.14 1.05 0.00 0.23 0.00 0.00 176.35 177.76 2xcf h PRO 146 N -0.73 0.00 -0.22 0.00 0.11 -1.91 -0.70 132.00 128.56 2xcf h PRO 146 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2xcf h PRO 146 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2xcf h PRO 146 CO 0.49 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.28 2xcf n ALA 147 N -2.06 2.49 -1.04 -0.75 0.00 -1.26 -4.34 120.51 113.55 2xcf n ALA 147 Ca -0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 53.44 52.77 2xcf n ALA 147 Cb 0.21 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 2xcf n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xcf n GLY 148 N 1.22 0.50 3.92 0.00 0.00 -0.27 -4.42 105.19 106.14 2xcf n GLY 148 Ca 0.17 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 2xcf n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xcf s HIS 149 N -2.05 3.48 -0.09 1.61 3.76 -1.26 -4.76 115.29 115.99 2xcf s HIS 149 Ca 0.00 0.49 -0.27 0.00 -0.15 0.00 0.00 55.06 55.13 2xcf s HIS 149 Cb 0.00 -1.98 -0.02 0.00 1.11 0.00 0.00 32.58 31.69 2xcf s HIS 149 CO 0.00 0.23 0.90 0.00 -0.85 0.00 0.00 174.74 175.02 2xcf s ALA 150 N -2.05 3.36 -0.15 -1.40 0.00 0.17 -1.73 121.76 119.95 2xcf s ALA 150 Ca 0.41 0.29 0.15 0.00 0.00 0.00 0.00 51.96 52.80 2xcf s ALA 150 Cb -0.11 -3.27 -0.20 0.00 0.00 0.00 0.00 23.12 19.54 2xcf s ALA 150 CO 0.31 -0.43 0.08 0.28 0.00 0.00 0.00 175.76 175.99 2xcf n VAL 151 N 4.30 1.02 -3.86 0.00 0.31 0.25 -0.86 118.33 119.49 2xcf n VAL 151 Ca 0.05 -0.66 0.02 0.00 -0.01 0.00 0.00 64.34 63.74 2xcf n VAL 151 Cb 0.50 -0.52 0.01 0.00 -0.91 0.00 0.00 33.84 32.91 2xcf n VAL 151 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2xcf s GLY 152 N -4.90 -0.20 -0.09 2.92 0.00 -1.17 -0.74 107.32 103.14 2xcf s GLY 152 Ca -0.08 0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.87 2xcf s GLY 152 CO 0.66 3.55 -0.15 1.08 0.00 0.00 0.00 173.10 178.24 2xcf s LEU 153 N -3.50 1.75 0.04 0.66 1.43 -0.19 -0.91 118.68 117.96 2xcf s LEU 153 Ca 0.24 -0.40 -0.33 0.00 -1.03 0.00 0.00 54.13 52.61 2xcf s LEU 153 Cb 0.01 -1.04 -0.11 0.00 0.03 0.00 0.00 46.19 45.08 2xcf s LEU 153 CO -0.01 0.05 1.83 0.33 0.23 0.00 0.00 176.35 178.78 2xcf n PHE 154 N 3.94 2.44 -0.05 0.29 7.35 0.02 0.21 117.46 131.65 2xcf n PHE 154 Ca -0.20 -0.06 -0.10 0.00 -0.76 0.00 0.00 57.45 56.32 2xcf n PHE 154 Cb 0.52 -2.69 -0.03 0.00 0.35 0.00 0.00 39.48 37.62 2xcf n PHE 154 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2xcf n ARG 155 N 5.94 0.20 -3.71 -4.13 0.63 -0.21 -0.56 116.66 114.82 2xcf n ARG 155 Ca 0.20 0.09 -0.14 0.00 -0.92 0.00 0.00 57.85 57.08 2xcf n ARG 155 Cb 0.34 -0.85 -0.08 0.00 0.45 0.00 0.00 32.46 32.31 2xcf n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2xcf s ALA 156 N -2.18 -0.95 -0.13 5.13 0.00 0.19 -4.87 121.76 118.95 2xcf s ALA 156 Ca -0.13 0.46 -0.07 0.00 0.00 0.00 0.00 51.96 52.21 2xcf s ALA 156 Cb 0.05 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2xcf s ALA 156 CO 0.17 -0.31 0.13 0.00 0.00 0.00 0.00 175.76 175.76 2xcf s ALA 157 N -1.51 3.84 -0.59 0.00 0.00 -1.26 0.11 121.76 122.35 2xcf s ALA 157 Ca -0.12 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 50.95 2xcf s ALA 157 Cb -0.04 -1.97 0.04 0.00 0.00 0.00 0.00 23.12 21.15 2xcf s ALA 157 CO 0.04 0.57 1.00 0.08 0.00 0.00 0.00 175.76 177.45 2xcf s VAL 158 N -0.87 4.28 0.21 0.00 1.01 0.20 -4.91 120.40 120.31 2xcf s VAL 158 Ca 0.14 0.23 0.10 0.00 0.00 0.00 0.00 61.98 62.45 2xcf s VAL 158 Cb -0.12 -4.62 -0.05 0.00 0.00 0.00 0.00 36.38 31.60 2xcf s VAL 158 CO 0.03 -1.27 -0.19 0.00 0.00 0.00 0.00 175.10 173.67 2xcf s THR 160 N -2.30 -0.97 -2.16 0.00 2.01 -0.81 -4.89 115.64 106.52 2xcf s THR 160 Ca 0.22 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.23 2xcf s THR 160 Cb -0.05 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.49 2xcf s THR 160 CO 0.09 0.00 0.00 0.54 -0.69 0.00 0.00 174.62 174.56 2xcf n ARG 161 N 5.44 -1.48 -0.68 4.92 5.12 -1.26 -0.98 116.66 127.74 2xcf n ARG 161 Ca -0.09 1.21 0.00 0.00 -1.93 0.00 0.00 57.85 57.04 2xcf n ARG 161 Cb 0.50 -5.63 0.00 0.00 -1.16 0.00 0.00 32.46 26.17 2xcf n ARG 161 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2xcf n GLY 162 N -0.49 0.65 3.21 -0.13 0.00 -1.26 -5.05 105.19 102.13 2xcf n GLY 162 Ca -0.21 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 2xcf n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xcf s VAL 163 N -2.00 2.86 -0.14 1.61 1.01 -0.16 -0.74 120.40 122.84 2xcf s VAL 163 Ca 0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 2xcf s VAL 163 Cb 0.00 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 2xcf s VAL 163 CO 0.00 0.27 1.13 0.00 0.00 0.00 0.00 175.10 176.51 2xcf s ALA 164 N 1.34 3.57 -0.09 5.51 0.00 -0.15 -1.93 121.76 130.02 2xcf s ALA 164 Ca 0.02 0.41 0.14 0.00 0.00 0.00 0.00 51.96 52.52 2xcf s ALA 164 Cb -0.16 -3.54 -0.20 0.00 0.00 0.00 0.00 23.12 19.23 2xcf s ALA 164 CO -0.05 -0.91 0.17 1.63 0.00 0.00 0.00 175.76 176.60 2xcf n LYS 165 N 5.82 1.17 -4.06 0.00 5.02 -0.12 -2.01 118.16 123.97 2xcf n LYS 165 Ca 0.12 -0.06 -0.10 0.00 -2.02 0.00 0.00 58.31 56.24 2xcf n LYS 165 Cb 0.46 -1.36 -0.07 0.00 -0.02 0.00 0.00 35.03 34.05 2xcf n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2xcf s ALA 166 N -2.65 0.21 0.01 7.82 0.00 -1.18 -1.13 121.76 124.85 2xcf s ALA 166 Ca -0.06 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.79 2xcf s ALA 166 Cb 0.07 1.17 -0.01 0.00 0.00 0.00 0.00 23.12 24.34 2xcf s ALA 166 CO 0.59 -0.77 -0.10 0.14 0.00 0.00 0.00 175.76 175.62 2xcf s VAL 167 N -4.03 0.80 -0.15 0.00 -7.23 0.12 -0.63 120.40 109.28 2xcf s VAL 167 Ca 0.28 -0.66 -0.04 0.00 -1.81 0.00 0.00 61.98 59.74 2xcf s VAL 167 Cb 0.02 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 36.21 2xcf s VAL 167 CO 0.10 0.06 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.31 2xcf s ASP 168 N -0.68 5.00 0.09 4.85 2.15 0.31 -1.54 116.67 126.85 2xcf s ASP 168 Ca 0.01 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 52.94 2xcf s ASP 168 Cb -0.06 -1.75 -0.04 0.00 -0.30 0.00 0.00 42.92 40.77 2xcf s ASP 168 CO 0.00 0.20 -0.03 0.72 -0.17 0.00 0.00 175.17 175.90 2xcf s PHE 169 N 0.15 0.80 -0.36 -5.34 -0.12 -0.72 -0.64 117.98 111.76 2xcf s PHE 169 Ca -0.00 -1.02 -0.22 0.00 -0.05 0.00 0.00 56.93 55.63 2xcf s PHE 169 Cb -0.13 -0.49 0.01 0.00 -0.63 0.00 0.00 43.02 41.77 2xcf s PHE 169 CO 0.02 -0.28 0.73 0.42 -0.05 0.00 0.00 175.22 176.06 2xcf s ILE 170 N -3.79 4.80 0.51 -4.49 1.01 0.13 -4.64 121.20 114.73 2xcf s ILE 170 Ca 0.13 0.80 -0.22 0.00 0.00 0.00 0.00 60.65 61.36 2xcf s ILE 170 Cb 0.07 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.32 2xcf s ILE 170 CO -0.05 -0.37 1.28 -2.84 0.00 0.00 0.00 174.94 172.96 2xcf s PRO 171 N 2.94 3.42 0.25 2.79 0.02 -1.26 -1.02 135.00 142.14 2xcf s PRO 171 Ca 0.29 2.04 -0.04 0.00 0.02 0.00 0.00 61.00 63.31 2xcf s PRO 171 Cb -0.14 -2.33 0.49 0.00 0.02 0.00 0.00 34.50 32.54 2xcf s PRO 171 CO 0.16 -0.91 1.70 -0.39 -0.33 0.00 0.00 177.00 177.23 2xcf h VAL 172 N 1.65 0.54 -0.98 3.83 -1.51 -1.25 -2.27 116.25 116.26 2xcf h VAL 172 Ca -0.50 -0.11 0.16 0.00 -1.23 0.00 0.00 66.70 65.02 2xcf h VAL 172 Cb 1.28 0.19 -0.16 0.00 -2.13 0.00 0.00 31.29 30.46 2xcf h VAL 172 CO 0.59 0.06 -0.36 -0.33 -1.23 0.00 0.00 177.57 176.29 2xcf h GLU 173 N 0.32 -0.01 -0.09 5.19 3.07 -1.91 0.79 114.58 121.94 2xcf h GLU 173 Ca 0.43 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.32 2xcf h GLU 173 Cb 0.73 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2xcf h GLU 173 CO -0.49 -0.01 0.38 -0.91 -1.40 0.00 0.00 179.01 176.58 2xcf h ASN 174 N -0.01 0.00 -0.02 1.42 4.21 -1.77 -1.00 115.58 118.41 2xcf h ASN 174 Ca 0.36 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.83 2xcf h ASN 174 Cb 0.62 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 2xcf h ASN 174 CO -0.98 0.00 -0.15 -0.07 -1.29 0.00 0.00 177.43 174.94 2xcf h LEU 175 N 0.00 0.16 -0.63 1.61 3.38 0.53 -1.54 115.31 118.83 2xcf h LEU 175 Ca 0.05 -0.71 0.12 0.00 0.09 0.00 0.00 57.88 57.42 2xcf h LEU 175 Cb 0.80 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 2xcf h LEU 175 CO -0.00 0.85 0.14 -0.33 0.09 0.00 0.00 178.44 179.20 2xcf h GLU 176 N -0.51 0.27 -0.55 1.13 3.07 -1.06 0.18 114.58 117.10 2xcf h GLU 176 Ca -0.01 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 2xcf h GLU 176 Cb 0.86 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.68 2xcf h GLU 176 CO 0.03 0.18 0.23 1.15 -1.40 0.00 0.00 179.01 179.19 2xcf h THR 177 N 0.27 1.20 -0.11 1.13 2.02 -1.36 -2.57 112.91 113.49 2xcf h THR 177 Ca 0.33 -0.60 -0.18 0.00 0.77 0.00 0.00 66.41 66.72 2xcf h THR 177 Cb 0.50 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2xcf h THR 177 CO -0.41 0.24 -0.69 0.74 0.37 0.00 0.00 175.52 175.77 2xcf h THR 178 N 0.78 1.35 -0.62 3.16 2.02 -0.09 -3.04 112.91 116.47 2xcf h THR 178 Ca 0.19 -2.03 0.07 0.00 0.77 0.00 0.00 66.41 65.41 2xcf h THR 178 Cb 0.14 2.01 -0.06 0.00 -1.74 0.00 0.00 68.15 68.50 2xcf h THR 178 CO -0.02 0.62 0.30 0.24 0.37 0.00 0.00 175.52 177.03 2xcf h MET 179 N 0.35 0.53 -0.01 6.66 2.07 -0.47 -3.48 114.93 120.59 2xcf h MET 179 Ca -0.02 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 2xcf h MET 179 Cb 1.27 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 30.88 2xcf h MET 179 CO 0.12 0.35 0.00 0.54 1.07 0.00 0.00 176.91 179.00