#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xcn s PRO 2 N 0.00 4.01 -0.24 0.00 0.04 -1.26 -5.10 135.00 132.45 2xcn s PRO 2 Ca 0.00 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 2xcn s PRO 2 Cb 0.00 -2.61 -0.00 0.00 0.04 0.00 0.00 34.50 31.93 2xcn s PRO 2 CO 0.00 -0.34 1.26 0.42 0.04 0.00 0.00 177.00 178.38 2xcn s ILE 3 N -1.47 4.24 0.02 0.56 1.01 -1.26 -5.01 121.20 119.30 2xcn s ILE 3 Ca 0.58 1.45 0.03 0.00 0.00 0.00 0.00 60.65 62.71 2xcn s ILE 3 Cb -0.29 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 2xcn s ILE 3 CO 0.36 -0.32 -0.09 0.42 0.00 0.00 0.00 174.94 175.32 2xcn s THR 4 N 3.92 0.66 0.06 2.92 -4.23 -1.26 -4.96 115.64 112.76 2xcn s THR 4 Ca 0.55 -0.72 0.04 0.00 -1.18 0.00 0.00 61.69 60.38 2xcn s THR 4 Cb -0.18 -0.62 -0.03 0.00 1.34 0.00 0.00 72.50 73.00 2xcn s THR 4 CO 0.18 -0.07 -0.12 0.00 -0.54 0.00 0.00 174.62 174.07 2xcn s ALA 5 N -0.74 1.01 0.21 3.99 0.00 -1.26 -5.15 121.76 119.82 2xcn s ALA 5 Ca -0.02 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.02 2xcn s ALA 5 Cb -0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 2xcn s ALA 5 CO 0.00 0.11 0.02 1.52 0.00 0.00 0.00 175.76 177.41 2xcn s TYR 6 N -1.36 1.41 0.00 0.00 -0.85 -1.26 -4.87 117.35 110.43 2xcn s TYR 6 Ca -0.04 -1.01 0.07 0.00 -0.52 0.00 0.00 57.07 55.57 2xcn s TYR 6 Cb -0.10 -0.82 -0.02 0.00 0.38 0.00 0.00 41.96 41.41 2xcn s TYR 6 CO 0.02 -0.16 -0.20 0.00 -1.52 0.00 0.00 175.55 173.68 2xcn s ALA 7 N -3.58 1.71 -0.08 9.51 0.00 -1.26 -4.91 121.76 123.15 2xcn s ALA 7 Ca 0.28 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 2xcn s ALA 7 Cb 0.06 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.81 2xcn s ALA 7 CO 0.08 0.41 -0.02 -0.65 0.00 0.00 0.00 175.76 175.57 2xcn s GLN 8 N -0.69 0.88 0.21 0.00 -0.21 -1.26 -5.12 119.66 113.46 2xcn s GLN 8 Ca 0.08 -0.01 -0.30 0.00 0.02 0.00 0.00 55.36 55.15 2xcn s GLN 8 Cb -0.08 -1.12 -0.08 0.00 1.00 0.00 0.00 33.01 32.73 2xcn s GLN 8 CO 0.00 -0.27 1.20 -1.14 -2.12 0.00 0.00 175.29 172.96 2xcn s GLN 9 N 1.78 4.50 0.00 2.91 0.74 -1.26 -4.94 119.66 123.39 2xcn s GLN 9 Ca 0.03 1.89 0.01 0.00 0.05 0.00 0.00 55.36 57.35 2xcn s GLN 9 Cb -0.13 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.77 2xcn s GLN 9 CO -0.05 -0.06 0.37 0.25 -0.55 0.00 0.00 175.29 175.25 2xcn n THR 10 N 2.23 0.00 -3.65 -0.34 -2.24 -1.26 -5.07 114.28 103.95 2xcn n THR 10 Ca 0.03 -0.49 -0.14 0.00 -2.27 0.00 0.00 64.05 61.18 2xcn n THR 10 Cb 0.44 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.62 2xcn n THR 10 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2xcn s ARG 11 N -0.42 0.88 0.31 -0.78 3.52 -1.26 -5.11 118.95 116.09 2xcn s ARG 11 Ca 0.01 -0.14 0.05 0.00 -0.13 0.00 0.00 55.73 55.52 2xcn s ARG 11 Cb 0.01 0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 33.78 2xcn s ARG 11 CO 0.02 -0.28 0.46 0.20 -0.81 0.00 0.00 175.30 174.89 2xcn s GLY 12 N -1.57 1.43 0.19 8.12 0.00 -1.26 -4.93 107.32 109.30 2xcn s GLY 12 Ca -0.10 -1.30 -0.12 0.00 0.00 0.00 0.00 44.72 43.21 2xcn s GLY 12 CO 0.03 -1.24 1.71 -2.00 0.00 0.00 0.00 173.10 171.60 2xcn h LEU 13 N 0.93 -0.00 -0.04 0.66 5.85 -2.02 0.11 115.31 120.80 2xcn h LEU 13 Ca -0.48 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.36 2xcn h LEU 13 Cb 1.24 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 2xcn h LEU 13 CO 0.57 0.02 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.48 2xcn h LEU 14 N 0.24 -0.41 -1.49 2.25 3.38 -2.01 -2.44 115.31 114.83 2xcn h LEU 14 Ca 0.26 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 2xcn h LEU 14 Cb 0.36 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2xcn h LEU 14 CO -0.34 -0.19 -0.25 1.23 0.09 0.00 0.00 178.44 178.98 2xcn h GLY 15 N -0.21 0.00 0.81 0.83 0.00 -1.80 -2.49 103.07 100.21 2xcn h GLY 15 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2xcn h GLY 15 CO -0.17 0.00 0.02 0.00 0.00 0.00 0.00 176.54 176.39 2xcn h ILE 17 N 0.06 0.58 -0.97 0.00 2.04 -1.02 0.83 117.51 119.04 2xcn h ILE 17 Ca 0.05 -0.06 0.18 0.00 1.00 0.00 0.00 64.86 66.03 2xcn h ILE 17 Cb 0.34 0.61 -0.10 0.00 -0.74 0.00 0.00 36.82 36.92 2xcn h ILE 17 CO 0.01 0.01 0.57 0.40 0.00 0.00 0.00 178.15 179.13 2xcn h ILE 18 N -0.61 0.71 -0.05 -0.67 5.03 -1.50 -0.95 117.51 119.47 2xcn h ILE 18 Ca -0.06 -0.25 -0.24 0.00 -0.12 0.00 0.00 64.86 64.19 2xcn h ILE 18 Cb 0.46 -0.09 0.01 0.00 -3.03 0.00 0.00 36.82 34.17 2xcn h ILE 18 CO 0.10 0.13 -0.92 0.74 -0.68 0.00 0.00 178.15 177.52 2xcn h THR 19 N 0.73 1.32 -0.43 -0.27 2.02 -1.15 -0.62 112.91 114.51 2xcn h THR 19 Ca 0.55 -2.22 0.09 0.00 0.77 0.00 0.00 66.41 65.60 2xcn h THR 19 Cb 0.83 2.26 -0.08 0.00 -1.74 0.00 0.00 68.15 69.42 2xcn h THR 19 CO -0.38 0.68 -0.10 -1.28 0.37 0.00 0.00 175.52 174.81 2xcn h SER 20 N 0.38 -0.39 -0.07 4.18 0.87 0.11 0.20 113.55 118.82 2xcn h SER 20 Ca -0.09 0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 2xcn h SER 20 Cb 1.55 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 2xcn h SER 20 CO 0.17 -0.14 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.07 2xcn h LEU 21 N 0.00 0.29 -1.02 2.23 3.38 -0.97 -3.19 115.31 116.04 2xcn h LEU 21 Ca 0.21 -0.60 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 2xcn h LEU 21 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2xcn h LEU 21 CO -0.44 0.84 -0.40 0.71 0.09 0.00 0.00 178.44 179.24 2xcn h THR 22 N -0.24 1.01 0.00 0.22 1.35 -1.11 -3.46 112.91 110.68 2xcn h THR 22 Ca -0.00 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 2xcn h THR 22 Cb 0.80 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2xcn h THR 22 CO 0.04 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 2xcn n GLY 23 N 0.08 0.52 3.54 5.82 0.00 0.69 -4.68 105.19 111.16 2xcn n GLY 23 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2xcn n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2xcn s ARG 24 N -0.50 3.83 -0.19 1.61 3.52 -1.25 -2.07 118.95 123.90 2xcn s ARG 24 Ca 0.00 -0.39 -0.03 0.00 -0.13 0.00 0.00 55.73 55.18 2xcn s ARG 24 Cb 0.00 -3.38 0.06 0.00 -1.56 0.00 0.00 34.95 30.07 2xcn s ARG 24 CO 0.00 -0.05 0.04 0.34 -0.81 0.00 0.00 175.30 174.82 2xcn s ASP 25 N 1.29 2.85 0.00 -2.12 -1.08 0.72 -4.80 116.67 113.51 2xcn s ASP 25 Ca 0.06 -0.80 0.23 0.00 -0.52 0.00 0.00 52.55 51.52 2xcn s ASP 25 Cb -0.15 -0.56 0.11 0.00 -1.46 0.00 0.00 42.92 40.86 2xcn s ASP 25 CO 0.05 -0.31 1.18 0.29 0.52 0.00 0.00 175.17 176.90 2xcn n LYS 26 N 5.07 1.63 -1.65 4.34 5.02 -1.26 -0.97 118.16 130.33 2xcn n LYS 26 Ca -0.09 -1.33 -0.42 0.00 -2.02 0.00 0.00 58.31 54.45 2xcn n LYS 26 Cb 0.47 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 34.02 2xcn n LYS 26 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2xcn n ASN 27 N 0.48 1.83 -4.84 4.39 4.13 -1.26 -4.99 115.26 114.99 2xcn n ASN 27 Ca 0.11 1.09 -0.32 0.00 1.68 0.00 0.00 54.58 57.14 2xcn n ASN 27 Cb 0.51 -1.41 -0.06 0.00 -1.54 0.00 0.00 39.78 37.29 2xcn n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2xcn s GLN 28 N -2.01 4.08 -0.09 3.52 -2.07 -1.26 -4.94 119.66 116.89 2xcn s GLN 28 Ca 0.61 0.87 0.03 0.00 -1.82 0.00 0.00 55.36 55.05 2xcn s GLN 28 Cb -0.56 -2.29 -0.02 0.00 -1.09 0.00 0.00 33.01 29.05 2xcn s GLN 28 CO 0.58 0.02 -0.17 0.08 -1.32 0.00 0.00 175.29 174.49 2xcn s VAL 29 N -2.15 2.80 0.09 3.63 1.01 -1.26 -5.12 120.40 119.39 2xcn s VAL 29 Ca 0.58 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2xcn s VAL 29 Cb -0.10 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2xcn s VAL 29 CO 0.18 0.56 -0.06 -1.61 0.00 0.00 0.00 175.10 174.16 2xcn s GLU 30 N -0.10 0.79 0.00 2.72 2.02 -1.26 -3.86 118.70 119.01 2xcn s GLU 30 Ca -0.03 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.68 2xcn s GLU 30 Cb -0.14 -0.16 0.00 0.00 0.10 0.00 0.00 34.13 33.93 2xcn s GLU 30 CO 0.04 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.70 2xcn n GLY 31 N 0.08 -0.58 0.08 -1.39 0.00 -1.26 -4.78 105.19 97.34 2xcn n GLY 31 Ca -0.13 -1.77 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 2xcn n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2xcn n GLU 32 N -0.60 0.68 -4.99 1.61 4.71 -1.26 -1.96 120.64 118.83 2xcn n GLU 32 Ca 0.00 -0.03 -0.32 0.00 -0.01 0.00 0.00 57.16 56.80 2xcn n GLU 32 Cb 0.00 -1.54 -0.15 0.00 -1.01 0.00 0.00 31.44 28.74 2xcn n GLU 32 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2xcn s VAL 33 N -2.76 2.71 -0.08 2.62 1.01 -1.26 -1.66 120.40 120.99 2xcn s VAL 33 Ca -0.09 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 2xcn s VAL 33 Cb 0.08 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 2xcn s VAL 33 CO 0.85 0.56 -0.04 -1.10 0.00 0.00 0.00 175.10 175.38 2xcn s GLN 34 N -0.20 2.94 -0.23 2.72 -1.52 0.56 -4.96 119.66 118.97 2xcn s GLN 34 Ca -0.01 -0.48 -0.19 0.00 -1.95 0.00 0.00 55.36 52.73 2xcn s GLN 34 Cb -0.13 -2.71 -0.03 0.00 -0.22 0.00 0.00 33.01 29.92 2xcn s GLN 34 CO 0.03 0.64 0.55 0.42 -0.25 0.00 0.00 175.29 176.69 2xcn s ILE 35 N -0.73 5.06 0.06 1.08 1.01 -1.26 -0.92 121.20 125.50 2xcn s ILE 35 Ca 0.11 1.00 0.05 0.00 0.00 0.00 0.00 60.65 61.81 2xcn s ILE 35 Cb -0.11 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 2xcn s ILE 35 CO 0.02 0.11 -0.13 0.68 0.00 0.00 0.00 174.94 175.62 2xcn s VAL 36 N 2.03 1.04 -0.02 2.92 -7.23 0.21 -5.00 120.40 114.36 2xcn s VAL 36 Ca 0.24 -1.16 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 2xcn s VAL 36 Cb -0.16 -0.99 -0.00 0.00 0.56 0.00 0.00 36.38 35.79 2xcn s VAL 36 CO 0.09 -0.16 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.18 2xcn s SER 37 N -1.49 1.35 0.55 4.85 0.01 -1.26 -0.15 113.70 117.55 2xcn s SER 37 Ca -0.02 -0.21 -0.01 0.00 1.31 0.00 0.00 55.95 57.03 2xcn s SER 37 Cb -0.09 -0.26 0.05 0.00 0.21 0.00 0.00 66.02 65.93 2xcn s SER 37 CO 0.02 0.11 0.35 0.35 0.41 0.00 0.00 173.24 174.48 2xcn n THR 38 N 3.04 0.00 -0.03 1.44 -2.24 0.28 -5.00 114.28 111.76 2xcn n THR 38 Ca -0.16 -0.52 -0.06 0.00 -2.27 0.00 0.00 64.05 61.03 2xcn n THR 38 Cb 0.55 -1.27 0.13 0.00 -2.10 0.00 0.00 70.33 67.64 2xcn n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xcn h ALA 39 N -0.63 0.93 0.03 6.98 0.00 -1.99 -3.35 119.26 121.24 2xcn h ALA 39 Ca -0.12 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 2xcn h ALA 39 Cb 0.42 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2xcn h ALA 39 CO 0.12 0.61 -0.20 1.15 0.00 0.00 0.00 179.25 180.94 2xcn h THR 40 N 0.54 1.73 -4.12 0.00 2.02 -1.99 -3.49 112.91 107.60 2xcn h THR 40 Ca 0.07 -2.39 -0.16 0.00 0.77 0.00 0.00 66.41 64.70 2xcn h THR 40 Cb 0.77 3.34 -0.12 0.00 -1.74 0.00 0.00 68.15 70.40 2xcn h THR 40 CO 0.06 0.63 -0.35 0.00 0.37 0.00 0.00 175.52 176.23 2xcn s GLN 41 N -2.27 1.42 0.01 6.66 -2.07 -1.26 -5.17 119.66 116.98 2xcn s GLN 41 Ca -0.18 -1.46 0.02 0.00 -1.82 0.00 0.00 55.36 51.92 2xcn s GLN 41 Cb -0.02 0.38 -0.01 0.00 -1.09 0.00 0.00 33.01 32.27 2xcn s GLN 41 CO 0.72 -0.54 -0.07 -0.08 -1.32 0.00 0.00 175.29 174.00 2xcn s THR 42 N -4.02 0.56 0.00 3.63 -1.32 -1.26 -0.56 115.64 112.67 2xcn s THR 42 Ca 0.31 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.30 2xcn s THR 42 Cb 0.03 -0.51 0.00 0.00 -1.51 0.00 0.00 72.50 70.51 2xcn s THR 42 CO 0.11 0.03 0.00 2.22 -2.21 0.00 0.00 174.62 174.78 2xcn n PHE 43 N 2.57 -0.69 -4.29 9.09 -1.74 0.79 -4.24 117.46 118.95 2xcn n PHE 43 Ca -0.15 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.47 2xcn n PHE 43 Cb 0.57 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.48 2xcn n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2xcn s LEU 44 N 0.00 2.98 -0.02 5.98 1.43 -0.18 -0.62 118.68 128.24 2xcn s LEU 44 Ca 0.00 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2xcn s LEU 44 Cb 0.00 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.58 2xcn s LEU 44 CO 0.00 0.11 0.02 0.00 0.23 0.00 0.00 176.35 176.70 2xcn s ALA 45 N -1.67 0.17 -0.09 4.21 0.00 -0.09 -4.21 121.76 120.08 2xcn s ALA 45 Ca 0.25 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.46 2xcn s ALA 45 Cb -0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2xcn s ALA 45 CO 0.15 -0.08 -0.17 0.99 0.00 0.00 0.00 175.76 176.65 2xcn s THR 46 N 0.96 2.79 -0.28 0.00 2.01 0.12 -0.33 115.64 120.91 2xcn s THR 46 Ca -0.09 -0.78 -0.19 0.00 0.31 0.00 0.00 61.69 60.94 2xcn s THR 46 Cb -0.12 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 2xcn s THR 46 CO -0.02 0.55 0.55 0.00 -0.69 0.00 0.00 174.62 175.01 2xcn s ILE 48 N 2.40 0.85 -1.24 0.00 1.01 -0.11 -0.42 121.20 123.68 2xcn s ILE 48 Ca 0.22 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 2xcn s ILE 48 Cb -0.15 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.51 2xcn s ILE 48 CO 0.10 0.29 0.71 0.59 0.00 0.00 0.00 174.94 176.63 2xcn n ASN 49 N 3.81 -2.81 0.00 3.58 5.03 -1.06 -1.83 115.26 121.98 2xcn n ASN 49 Ca -0.23 -0.89 0.00 0.00 0.87 0.00 0.00 54.58 54.33 2xcn n ASN 49 Cb 0.52 -3.87 0.00 0.00 -1.02 0.00 0.00 39.78 35.41 2xcn n ASN 49 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2xcn n GLY 50 N -1.62 0.37 3.44 7.41 0.00 -1.26 -4.96 105.19 108.57 2xcn n GLY 50 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2xcn n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xcn s VAL 51 N -1.97 2.87 -0.46 1.61 1.01 -0.76 -1.18 120.40 121.51 2xcn s VAL 51 Ca 0.00 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 2xcn s VAL 51 Cb 0.00 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.32 2xcn s VAL 51 CO 0.00 0.59 0.51 0.00 0.00 0.00 0.00 175.10 176.20 2xcn s TRP 53 N 2.27 3.49 0.26 0.00 0.52 0.13 -1.37 118.94 124.24 2xcn s TRP 53 Ca 0.12 0.16 -0.21 0.00 0.02 0.00 0.00 56.10 56.19 2xcn s TRP 53 Cb -0.19 -1.70 0.04 0.00 -1.15 0.00 0.00 33.47 30.48 2xcn s TRP 53 CO 0.12 0.50 0.83 -0.08 0.02 0.00 0.00 176.95 178.34 2xcn s THR 54 N -1.75 0.00 0.26 2.01 -1.32 -0.46 0.12 115.64 114.50 2xcn s THR 54 Ca 0.35 -0.87 -0.29 0.00 -1.21 0.00 0.00 61.69 59.67 2xcn s THR 54 Cb -0.11 -2.26 -0.09 0.00 -1.51 0.00 0.00 72.50 68.53 2xcn s THR 54 CO 0.29 0.00 1.13 0.68 -2.21 0.00 0.00 174.62 174.51 2xcn s VAL 55 N -3.25 3.45 0.23 5.08 -7.23 -1.26 -1.06 120.40 116.35 2xcn s VAL 55 Ca 0.13 1.40 -0.04 0.00 -1.81 0.00 0.00 61.98 61.67 2xcn s VAL 55 Cb -0.04 -3.89 0.08 0.00 0.56 0.00 0.00 36.38 33.08 2xcn s VAL 55 CO 0.06 0.31 1.70 0.22 -0.31 0.00 0.00 175.10 177.09 2xcn h TYR 56 N 4.07 0.91 0.00 2.82 3.20 -1.13 -2.06 116.97 124.78 2xcn h TYR 56 Ca -0.46 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.25 2xcn h TYR 56 Cb 1.21 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.25 2xcn h TYR 56 CO 0.59 0.87 0.00 -2.39 -1.64 0.00 0.00 178.16 175.59 2xcn n HIS 57 N -4.17 0.10 -0.10 -3.82 1.44 -1.26 0.54 115.22 107.95 2xcn n HIS 57 Ca 0.02 0.05 -0.15 0.00 -2.01 0.00 0.00 57.72 55.62 2xcn n HIS 57 Cb 0.35 -0.57 -0.06 0.00 0.12 0.00 0.00 29.99 29.83 2xcn n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2xcn n GLY 58 N -0.69 -0.69 0.17 -1.39 0.00 -0.93 -4.69 105.19 96.97 2xcn n GLY 58 Ca 0.02 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.95 2xcn n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xcn h ALA 59 N -0.89 0.79 -0.51 4.61 0.00 -1.02 -3.47 119.26 118.77 2xcn h ALA 59 Ca -0.24 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2xcn h ALA 59 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2xcn h ALA 59 CO -0.15 0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.92 2xcn n GLY 60 N 1.16 3.11 1.30 0.00 0.00 0.19 -2.01 105.19 108.94 2xcn n GLY 60 Ca 0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 2xcn n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2xcn n THR 61 N 0.00 2.63 -2.01 2.61 -2.24 -1.26 -4.87 114.28 109.13 2xcn n THR 61 Ca 0.00 -2.55 -0.32 0.00 -2.27 0.00 0.00 64.05 58.90 2xcn n THR 61 Cb 0.00 -0.34 0.01 0.00 -2.10 0.00 0.00 70.33 67.90 2xcn n THR 61 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2xcn s ARG 62 N -3.22 3.37 0.81 -0.78 0.52 -0.85 -4.90 118.95 113.90 2xcn s ARG 62 Ca 0.46 1.10 -0.11 0.00 -0.52 0.00 0.00 55.73 56.66 2xcn s ARG 62 Cb 0.41 -2.04 0.08 0.00 0.52 0.00 0.00 34.95 33.92 2xcn s ARG 62 CO 0.02 -0.76 1.09 0.95 0.02 0.00 0.00 175.30 176.62 2xcn s THR 63 N -2.62 3.04 -0.11 0.02 -4.23 -1.26 -4.50 115.64 105.98 2xcn s THR 63 Ca 0.61 0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 61.44 2xcn s THR 63 Cb -0.14 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 2xcn s THR 63 CO 0.40 -0.44 -0.03 -0.51 -0.54 0.00 0.00 174.62 173.50 2xcn s ILE 64 N -3.08 4.04 0.13 2.99 2.07 -0.44 -4.81 121.20 122.09 2xcn s ILE 64 Ca 0.61 -0.33 -0.31 0.00 -1.41 0.00 0.00 60.65 59.21 2xcn s ILE 64 Cb -0.15 -2.72 -0.09 0.00 0.13 0.00 0.00 42.46 39.62 2xcn s ILE 64 CO 0.55 0.55 1.56 0.00 -1.91 0.00 0.00 174.94 175.69 2xcn s ALA 65 N -0.30 3.72 0.25 1.50 0.00 -1.26 -1.01 121.76 124.66 2xcn s ALA 65 Ca 0.06 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.31 2xcn s ALA 65 Cb -0.12 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 2xcn s ALA 65 CO 0.02 -0.83 0.10 -1.54 0.00 0.00 0.00 175.76 173.51 2xcn s SER 66 N 1.45 1.09 0.59 0.00 1.04 -1.02 -4.71 113.70 112.14 2xcn s SER 66 Ca 0.70 -1.39 0.29 0.00 0.48 0.00 0.00 55.95 56.03 2xcn s SER 66 Cb -0.41 0.20 1.44 0.00 0.10 0.00 0.00 66.02 67.35 2xcn s SER 66 CO 0.31 -0.75 1.86 -0.65 0.98 0.00 0.00 173.24 174.99 2xcn h PRO 67 N 2.40 0.00 -0.55 4.02 0.11 -1.38 0.23 132.00 136.83 2xcn h PRO 67 Ca -0.38 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.40 2xcn h PRO 67 Cb 1.25 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.16 2xcn h PRO 67 CO 0.60 0.00 -0.01 1.63 -0.21 0.00 0.00 178.00 180.01 2xcn n LYS 68 N -3.73 2.23 -0.04 1.05 5.02 -1.26 -4.64 118.16 116.80 2xcn n LYS 68 Ca 0.10 -3.34 0.01 0.00 -2.02 0.00 0.00 58.31 53.06 2xcn n LYS 68 Cb 0.76 -1.98 -0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2xcn n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xcn n GLY 69 N -1.05 -2.16 3.63 0.72 0.00 -0.58 -4.94 105.19 100.80 2xcn n GLY 69 Ca 0.41 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 2xcn n GLY 69 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2xcn n PRO 70 N -0.67 1.39 -4.48 1.61 -0.04 -0.88 -2.70 135.00 129.22 2xcn n PRO 70 Ca 0.00 0.50 -0.26 0.00 -0.04 0.00 0.00 63.50 63.70 2xcn n PRO 70 Cb 0.02 -2.11 -0.17 0.00 -0.04 0.00 0.00 33.50 31.20 2xcn n PRO 70 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2xcn s VAL 71 N -1.29 1.24 0.56 0.52 1.01 -0.18 -4.89 120.40 117.36 2xcn s VAL 71 Ca 0.64 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 2xcn s VAL 71 Cb -0.53 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2xcn s VAL 71 CO 0.56 0.39 1.08 -0.63 0.00 0.00 0.00 175.10 176.49 2xcn s ILE 72 N 0.88 3.55 0.43 2.22 -1.09 -1.26 -1.33 121.20 124.60 2xcn s ILE 72 Ca -0.10 0.86 -0.25 0.00 -2.23 0.00 0.00 60.65 58.93 2xcn s ILE 72 Cb -0.15 -3.34 -0.08 0.00 -1.58 0.00 0.00 42.46 37.31 2xcn s ILE 72 CO 0.01 -0.31 1.31 -1.10 -1.23 0.00 0.00 174.94 173.62 2xcn s GLN 73 N -3.60 3.83 0.07 2.79 -0.21 -1.26 -4.71 119.66 116.57 2xcn s GLN 73 Ca 0.68 2.16 -0.07 0.00 0.02 0.00 0.00 55.36 58.16 2xcn s GLN 73 Cb -0.19 -2.66 -0.29 0.00 1.00 0.00 0.00 33.01 30.88 2xcn s GLN 73 CO 0.30 -0.61 1.13 0.52 -2.12 0.00 0.00 175.29 174.50 2xcn h MET 74 N 2.45 0.33 -4.38 2.91 2.86 -0.68 -3.48 114.93 114.93 2xcn h MET 74 Ca -0.50 -0.55 -0.29 0.00 -2.06 0.00 0.00 59.70 56.30 2xcn h MET 74 Cb 1.25 0.20 -0.25 0.00 0.06 0.00 0.00 31.60 32.87 2xcn h MET 74 CO 0.62 1.26 -0.74 0.71 1.06 0.00 0.00 176.91 179.81 2xcn s TYR 75 N -2.69 0.53 -0.13 -0.22 2.02 -1.14 -5.00 117.35 110.73 2xcn s TYR 75 Ca -0.05 -0.27 -0.06 0.00 -0.37 0.00 0.00 57.07 56.32 2xcn s TYR 75 Cb 0.07 -0.33 0.05 0.00 -0.40 0.00 0.00 41.96 41.35 2xcn s TYR 75 CO 0.90 -0.05 0.29 0.99 -1.57 0.00 0.00 175.55 176.11 2xcn s THR 76 N -0.69 -0.10 -0.38 -0.71 2.01 -1.26 -1.21 115.64 113.30 2xcn s THR 76 Ca -0.04 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.15 2xcn s THR 76 Cb -0.06 -0.45 0.16 0.00 0.01 0.00 0.00 72.50 72.16 2xcn s THR 76 CO 0.00 0.06 0.36 0.21 -0.69 0.00 0.00 174.62 174.57 2xcn s ASN 77 N 1.49 1.36 0.40 3.53 3.84 -0.57 -5.01 114.94 119.98 2xcn s ASN 77 Ca -0.08 -1.91 0.13 0.00 0.21 0.00 0.00 52.86 51.21 2xcn s ASN 77 Cb -0.10 0.34 0.95 0.00 -0.55 0.00 0.00 41.25 41.89 2xcn s ASN 77 CO -0.10 -0.24 1.90 0.58 -2.79 0.00 0.00 177.10 176.45 2xcn h VAL 78 N 4.96 0.81 -0.02 -5.21 2.07 -1.96 -1.76 116.25 115.15 2xcn h VAL 78 Ca 0.08 -0.18 -0.23 0.00 0.82 0.00 0.00 66.70 67.19 2xcn h VAL 78 Cb 1.02 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2xcn h VAL 78 CO 0.22 0.10 -0.92 0.44 0.02 0.00 0.00 177.57 177.42 2xcn h ASP 79 N 0.53 0.63 0.79 0.57 3.32 -1.94 -2.03 116.42 118.28 2xcn h ASP 79 Ca 0.40 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2xcn h ASP 79 Cb 0.80 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2xcn h ASP 79 CO -0.15 1.28 0.00 1.56 -1.72 0.00 0.00 179.24 180.20 2xcn h GLN 80 N 0.29 0.00 -4.24 3.56 7.50 -1.90 -3.47 115.11 116.86 2xcn h GLN 80 Ca -0.08 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 58.82 2xcn h GLN 80 Cb 1.56 0.00 0.10 0.00 0.05 0.00 0.00 27.48 29.18 2xcn h GLN 80 CO 0.17 0.00 -0.46 -3.47 -1.50 0.00 0.00 178.83 173.57 2xcn n ASP 81 N -2.81 -4.27 -4.14 1.46 2.03 -0.72 -4.91 116.55 103.19 2xcn n ASP 81 Ca 0.01 -0.37 -0.20 0.00 0.52 0.00 0.00 54.79 54.74 2xcn n ASP 81 Cb 0.25 -3.50 -0.13 0.00 -0.72 0.00 0.00 41.12 37.01 2xcn n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2xcn s LEU 82 N -5.10 2.15 -0.02 -2.67 2.96 -0.84 -0.66 118.68 114.51 2xcn s LEU 82 Ca 0.30 -0.44 -0.12 0.00 -0.22 0.00 0.00 54.13 53.65 2xcn s LEU 82 Cb -0.13 -0.63 0.02 0.00 0.50 0.00 0.00 46.19 45.95 2xcn s LEU 82 CO 0.48 0.05 0.26 -0.69 -1.32 0.00 0.00 176.35 175.13 2xcn s VAL 83 N -0.79 0.06 -0.01 1.68 1.01 -0.23 -1.51 120.40 120.61 2xcn s VAL 83 Ca 0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 2xcn s VAL 83 Cb -0.08 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.76 2xcn s VAL 83 CO 0.01 -0.27 0.04 -0.83 0.00 0.00 0.00 175.10 174.05 2xcn s GLY 84 N -1.22 -0.02 0.26 4.51 0.00 -0.35 -1.36 107.32 109.14 2xcn s GLY 84 Ca -0.13 0.09 0.09 0.00 0.00 0.00 0.00 44.72 44.77 2xcn s GLY 84 CO 0.03 0.08 -0.13 -0.98 0.00 0.00 0.00 173.10 172.10 2xcn s TRP 85 N -0.02 2.03 0.08 1.90 0.51 -0.47 0.09 118.94 123.06 2xcn s TRP 85 Ca -0.00 -0.53 -0.31 0.00 -2.12 0.00 0.00 56.10 53.14 2xcn s TRP 85 Cb -0.01 -1.01 -0.08 0.00 -0.81 0.00 0.00 33.47 31.56 2xcn s TRP 85 CO 0.00 0.47 1.57 -2.14 -0.51 0.00 0.00 176.95 176.34 2xcn s PRO 86 N -3.62 4.23 -0.04 4.98 0.02 -1.26 0.64 135.00 139.94 2xcn s PRO 86 Ca 0.28 2.25 -0.40 0.00 0.02 0.00 0.00 61.00 63.15 2xcn s PRO 86 Cb -0.00 -3.47 -0.20 0.00 0.02 0.00 0.00 34.50 30.85 2xcn s PRO 86 CO 0.12 -0.65 1.15 0.00 -0.33 0.00 0.00 177.00 177.29 2xcn n ALA 87 N 5.07 -3.14 -1.72 -1.55 0.00 -0.33 -4.58 120.51 114.26 2xcn n ALA 87 Ca 0.15 0.58 -0.43 0.00 0.00 0.00 0.00 53.44 53.74 2xcn n ALA 87 Cb 0.41 -1.81 -0.02 0.00 0.00 0.00 0.00 19.45 18.03 2xcn n ALA 87 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2xcn n PRO 88 N 1.87 2.37 -1.73 0.00 -0.02 -1.26 -4.87 135.00 131.37 2xcn n PRO 88 Ca 0.21 0.84 -0.63 0.00 -2.02 0.00 0.00 63.50 61.90 2xcn n PRO 88 Cb 0.08 -2.54 -0.09 0.00 -0.02 0.00 0.00 33.50 30.94 2xcn n PRO 88 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2xcn n GLN 89 N 1.57 0.49 0.00 -0.52 -0.06 -1.26 -1.40 117.38 116.20 2xcn n GLN 89 Ca 0.08 0.18 0.00 0.00 -2.00 0.00 0.00 57.00 55.26 2xcn n GLN 89 Cb 0.35 -1.76 0.00 0.00 -4.06 0.00 0.00 30.24 24.78 2xcn n GLN 89 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2xcn n GLY 90 N 4.03 1.29 3.76 1.69 0.00 -1.26 -4.31 105.19 110.39 2xcn n GLY 90 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 2xcn n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2xcn s SER 91 N -1.73 3.42 -0.05 1.61 1.04 -0.49 -4.12 113.70 113.38 2xcn s SER 91 Ca 0.00 1.08 0.05 0.00 0.48 0.00 0.00 55.95 57.56 2xcn s SER 91 Cb 0.00 -1.70 -0.01 0.00 0.10 0.00 0.00 66.02 64.42 2xcn s SER 91 CO 0.00 -2.62 -0.22 -0.13 0.98 0.00 0.00 173.24 171.26 2xcn s ARG 92 N -5.18 2.27 0.20 4.02 0.52 -0.83 -4.88 118.95 115.08 2xcn s ARG 92 Ca 0.64 -0.78 -0.14 0.00 -0.52 0.00 0.00 55.73 54.92 2xcn s ARG 92 Cb -0.16 -1.92 -0.07 0.00 0.52 0.00 0.00 34.95 33.31 2xcn s ARG 92 CO 0.55 0.31 0.60 -1.12 0.02 0.00 0.00 175.30 175.66 2xcn s SER 93 N -0.04 6.81 0.51 0.23 0.01 -1.26 -4.04 113.70 115.92 2xcn s SER 93 Ca -0.05 1.13 -0.15 0.00 1.31 0.00 0.00 55.95 58.19 2xcn s SER 93 Cb -0.13 -2.31 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 2xcn s SER 93 CO 0.03 0.01 0.96 -0.76 0.41 0.00 0.00 173.24 173.90 2xcn s LEU 94 N -2.29 3.60 -0.05 2.44 1.43 0.44 -4.83 118.68 119.42 2xcn s LEU 94 Ca 0.43 1.49 -0.02 0.00 -1.03 0.00 0.00 54.13 55.00 2xcn s LEU 94 Cb -0.14 -4.43 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 2xcn s LEU 94 CO 0.20 -0.60 0.07 0.42 0.23 0.00 0.00 176.35 176.66 2xcn s THR 95 N -2.67 4.74 0.36 5.49 -4.23 -1.26 -2.57 115.64 115.50 2xcn s THR 95 Ca 0.57 -0.25 -0.28 0.00 -1.18 0.00 0.00 61.69 60.55 2xcn s THR 95 Cb -0.10 -3.10 -0.12 0.00 1.34 0.00 0.00 72.50 70.52 2xcn s THR 95 CO 0.34 0.47 1.41 -2.65 -0.54 0.00 0.00 174.62 173.66 2xcn n PRO 96 N 1.61 2.45 -1.97 3.99 -0.02 -1.26 0.03 135.00 139.82 2xcn n PRO 96 Ca -0.16 0.86 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 2xcn n PRO 96 Cb 0.53 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.47 2xcn n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xcn n THR 98 N 0.76 0.00 0.37 0.00 -2.24 -1.26 -4.66 114.28 107.26 2xcn n THR 98 Ca 0.01 -0.16 0.14 0.00 -2.27 0.00 0.00 64.05 61.77 2xcn n THR 98 Cb 0.41 1.52 0.49 0.00 -2.10 0.00 0.00 70.33 70.65 2xcn n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xcn n GLY 100 N 0.41 0.99 3.52 0.00 0.00 -1.26 -4.98 105.19 103.88 2xcn n GLY 100 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2xcn n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2xcn n SER 101 N -1.45 -0.99 -0.38 1.61 2.88 -1.26 -4.97 113.62 109.05 2xcn n SER 101 Ca -0.20 0.24 0.04 0.00 -1.33 0.00 0.00 58.87 57.62 2xcn n SER 101 Cb 0.64 -1.31 0.05 0.00 -0.75 0.00 0.00 64.21 62.84 2xcn n SER 101 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2xcn n SER 102 N -3.29 1.95 -4.41 -3.46 7.64 -1.26 -4.88 113.62 105.91 2xcn n SER 102 Ca 0.08 -1.50 -0.44 0.00 1.01 0.00 0.00 58.87 58.01 2xcn n SER 102 Cb 0.54 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.63 2xcn n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2xcn s ASP 103 N -0.79 6.17 0.31 6.43 1.01 -1.26 -0.85 116.67 127.69 2xcn s ASP 103 Ca 0.12 -1.17 0.07 0.00 0.71 0.00 0.00 52.55 52.28 2xcn s ASP 103 Cb 0.08 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.76 2xcn s ASP 103 CO 0.11 -0.73 0.27 -0.76 0.21 0.00 0.00 175.17 174.28 2xcn s LEU 104 N 1.98 3.68 -0.05 1.23 1.43 0.14 -3.65 118.68 123.44 2xcn s LEU 104 Ca 0.08 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 2xcn s LEU 104 Cb -0.22 -2.27 0.03 0.00 0.03 0.00 0.00 46.19 43.76 2xcn s LEU 104 CO 0.09 -0.26 0.07 -0.31 0.23 0.00 0.00 176.35 176.17 2xcn s TYR 105 N -2.25 0.02 -0.17 0.29 2.02 -0.44 0.26 117.35 117.07 2xcn s TYR 105 Ca 0.39 0.31 -0.12 0.00 -0.37 0.00 0.00 57.07 57.27 2xcn s TYR 105 Cb -0.07 -0.42 -0.05 0.00 -0.40 0.00 0.00 41.96 41.03 2xcn s TYR 105 CO 0.26 -0.19 0.23 -1.17 -1.57 0.00 0.00 175.55 173.11 2xcn s LEU 106 N 2.08 4.24 -0.09 -1.29 2.96 -0.29 -0.04 118.68 126.25 2xcn s LEU 106 Ca 0.03 0.40 -0.12 0.00 -0.22 0.00 0.00 54.13 54.22 2xcn s LEU 106 Cb -0.12 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.26 2xcn s LEU 106 CO -0.03 0.14 0.29 -0.69 -1.32 0.00 0.00 176.35 174.74 2xcn s VAL 107 N 0.38 5.26 0.13 1.68 1.01 -0.54 -1.66 120.40 126.66 2xcn s VAL 107 Ca 0.13 0.56 0.05 0.00 0.00 0.00 0.00 61.98 62.73 2xcn s VAL 107 Cb -0.12 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2xcn s VAL 107 CO 0.02 0.53 0.05 -0.89 0.00 0.00 0.00 175.10 174.81 2xcn s THR 108 N -0.56 4.18 0.64 3.92 2.01 -0.48 -4.38 115.64 120.96 2xcn s THR 108 Ca 0.19 -1.07 0.37 0.00 0.31 0.00 0.00 61.69 61.49 2xcn s THR 108 Cb -0.14 -3.06 0.40 0.00 0.01 0.00 0.00 72.50 69.71 2xcn s THR 108 CO 0.08 0.01 2.28 0.08 -0.69 0.00 0.00 174.62 176.37 2xcn h ARG 109 N 2.96 0.00 -0.21 4.92 0.11 -1.88 0.35 114.38 120.63 2xcn h ARG 109 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2xcn h ARG 109 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2xcn h ARG 109 CO 0.61 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.40 2xcn n HIS 110 N -3.39 0.28 -3.03 4.08 8.25 -1.26 -4.91 115.22 115.24 2xcn n HIS 110 Ca -0.02 -0.14 -0.14 0.00 -0.26 0.00 0.00 57.72 57.16 2xcn n HIS 110 Cb 0.12 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.27 2xcn n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2xcn n ALA 111 N 0.15 -0.72 -2.87 -1.41 0.00 0.12 -4.86 120.51 110.92 2xcn n ALA 111 Ca 0.10 0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.48 2xcn n ALA 111 Cb 0.22 -3.24 -0.05 0.00 0.00 0.00 0.00 19.45 16.38 2xcn n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2xcn s ASP 112 N -3.09 6.02 -0.34 0.00 1.01 -1.25 -4.54 116.67 114.48 2xcn s ASP 112 Ca 0.30 0.12 -0.01 0.00 0.71 0.00 0.00 52.55 53.67 2xcn s ASP 112 Cb -0.13 -1.75 0.08 0.00 1.01 0.00 0.00 42.92 42.12 2xcn s ASP 112 CO 0.38 0.13 0.07 -0.69 0.21 0.00 0.00 175.17 175.27 2xcn s VAL 113 N -1.56 2.99 -0.14 -1.27 1.01 -1.26 -1.38 120.40 118.79 2xcn s VAL 113 Ca 0.33 -1.72 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 2xcn s VAL 113 Cb -0.12 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 2xcn s VAL 113 CO 0.26 -0.36 -0.10 0.27 0.00 0.00 0.00 175.10 175.17 2xcn s ILE 114 N 1.17 3.30 0.23 2.22 -4.36 -0.67 -4.88 121.20 118.21 2xcn s ILE 114 Ca 0.01 -0.57 -0.30 0.00 -0.26 0.00 0.00 60.65 59.53 2xcn s ILE 114 Cb -0.21 -2.41 -0.09 0.00 1.25 0.00 0.00 42.46 41.01 2xcn s ILE 114 CO -0.03 0.51 1.19 -2.16 0.24 0.00 0.00 174.94 174.69 2xcn s PRO 115 N 0.39 4.51 -0.03 0.37 0.04 -1.26 -1.14 135.00 137.87 2xcn s PRO 115 Ca -0.09 1.91 0.04 0.00 0.04 0.00 0.00 61.00 62.90 2xcn s PRO 115 Cb -0.15 -3.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 2xcn s PRO 115 CO 0.05 -0.02 -0.15 0.08 0.04 0.00 0.00 177.00 177.00 2xcn s VAL 116 N -0.52 1.21 -0.19 -0.36 1.01 0.14 -3.05 120.40 118.64 2xcn s VAL 116 Ca 0.50 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 2xcn s VAL 116 Cb -0.34 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2xcn s VAL 116 CO 0.40 0.35 0.35 -0.60 0.00 0.00 0.00 175.10 175.60 2xcn s ARG 117 N -0.05 4.20 0.21 2.72 6.06 0.11 0.26 118.95 132.46 2xcn s ARG 117 Ca -0.01 0.14 -0.30 0.00 -2.50 0.00 0.00 55.73 53.06 2xcn s ARG 117 Cb -0.09 -3.50 -0.09 0.00 0.06 0.00 0.00 34.95 31.33 2xcn s ARG 117 CO 0.01 0.06 1.32 0.50 -2.50 0.00 0.00 175.30 174.69 2xcn s ARG 118 N 1.00 4.38 -0.33 5.12 3.52 -0.03 0.14 118.95 132.76 2xcn s ARG 118 Ca 0.18 2.08 0.14 0.00 -0.13 0.00 0.00 55.73 58.00 2xcn s ARG 118 Cb -0.14 -3.18 0.46 0.00 -1.56 0.00 0.00 34.95 30.53 2xcn s ARG 118 CO 0.07 -0.25 1.06 0.54 -0.81 0.00 0.00 175.30 175.90 2xcn n ARG 119 N 2.49 2.20 0.00 5.12 1.74 0.28 -4.86 116.66 123.64 2xcn n ARG 119 Ca 0.06 -3.75 0.00 0.00 -0.77 0.00 0.00 57.85 53.39 2xcn n ARG 119 Cb 0.43 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2xcn n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xcn n GLY 120 N -0.39 3.18 0.24 -0.13 0.00 -1.18 -4.75 105.19 102.16 2xcn n GLY 120 Ca 0.21 -1.92 -0.04 0.00 0.00 0.00 0.00 46.02 44.28 2xcn n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2xcn n ASP 121 N 0.00 -0.52 -2.28 1.61 8.00 -1.26 -2.99 116.55 119.11 2xcn n ASP 121 Ca 0.00 1.06 -0.02 0.00 0.71 0.00 0.00 54.79 56.53 2xcn n ASP 121 Cb 0.00 -0.19 0.05 0.00 -0.02 0.00 0.00 41.12 40.96 2xcn n ASP 121 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2xcn n SER 122 N -4.81 1.95 -3.69 -2.24 3.41 -1.26 -4.65 113.62 102.32 2xcn n SER 122 Ca 0.04 -2.39 -0.11 0.00 -0.26 0.00 0.00 58.87 56.15 2xcn n SER 122 Cb 0.20 -0.42 -0.09 0.00 -0.26 0.00 0.00 64.21 63.63 2xcn n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2xcn s ARG 123 N -2.88 0.55 0.08 4.33 6.06 -1.16 -1.99 118.95 123.93 2xcn s ARG 123 Ca 0.33 0.83 -0.15 0.00 -2.50 0.00 0.00 55.73 54.23 2xcn s ARG 123 Cb 0.35 0.16 0.03 0.00 0.06 0.00 0.00 34.95 35.55 2xcn s ARG 123 CO -0.06 -0.11 0.36 0.20 -2.50 0.00 0.00 175.30 173.19 2xcn s GLY 124 N 0.89 -0.21 0.01 8.12 0.00 -0.68 -0.55 107.32 114.91 2xcn s GLY 124 Ca -0.05 -0.00 0.03 0.00 0.00 0.00 0.00 44.72 44.70 2xcn s GLY 124 CO -0.07 -0.24 -0.05 -1.35 0.00 0.00 0.00 173.10 171.38 2xcn s SER 125 N -2.45 4.75 0.22 1.64 1.04 0.12 -0.30 113.70 118.72 2xcn s SER 125 Ca -0.01 -0.12 -0.30 0.00 0.48 0.00 0.00 55.95 56.00 2xcn s SER 125 Cb 0.01 -1.14 -0.08 0.00 0.10 0.00 0.00 66.02 64.91 2xcn s SER 125 CO -0.08 0.28 1.06 -0.76 0.98 0.00 0.00 173.24 174.72 2xcn s LEU 126 N -1.51 4.54 0.32 2.42 1.43 -0.32 -0.71 118.68 124.85 2xcn s LEU 126 Ca 0.18 2.10 0.15 0.00 -1.03 0.00 0.00 54.13 55.53 2xcn s LEU 126 Cb -0.11 -3.61 0.46 0.00 0.03 0.00 0.00 46.19 42.95 2xcn s LEU 126 CO 0.09 -0.11 1.64 -0.07 0.23 0.00 0.00 176.35 178.12 2xcn h LEU 127 N 4.53 0.00 -7.29 1.79 3.38 -1.85 -3.40 115.31 112.46 2xcn h LEU 127 Ca -0.45 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.10 2xcn h LEU 127 Cb 1.21 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.57 2xcn h LEU 127 CO 0.70 0.51 -0.75 -0.94 0.09 0.00 0.00 178.44 178.04 2xcn s SER 128 N -6.59 1.71 0.94 -0.43 1.04 -1.26 -5.14 113.70 103.96 2xcn s SER 128 Ca 0.00 -0.21 -0.11 0.00 0.48 0.00 0.00 55.95 56.11 2xcn s SER 128 Cb 0.11 -0.28 0.12 0.00 0.10 0.00 0.00 66.02 66.06 2xcn s SER 128 CO 0.73 -0.26 0.88 -0.81 0.98 0.00 0.00 173.24 174.75 2xcn n PRO 129 N 5.23 -0.49 -4.04 4.02 -0.04 -1.26 -5.04 135.00 133.37 2xcn n PRO 129 Ca -0.06 -0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.24 2xcn n PRO 129 Cb 0.49 -2.19 -0.10 0.00 -0.04 0.00 0.00 33.50 31.67 2xcn n PRO 129 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2xcn s ARG 130 N -4.28 0.55 0.34 0.54 1.81 -0.61 -4.99 118.95 112.31 2xcn s ARG 130 Ca 0.63 -1.04 -0.29 0.00 -1.72 0.00 0.00 55.73 53.32 2xcn s ARG 130 Cb -0.22 0.19 -0.11 0.00 -0.45 0.00 0.00 34.95 34.36 2xcn s ARG 130 CO 0.62 -0.11 1.52 -0.35 -0.68 0.00 0.00 175.30 176.30 2xcn n PRO 131 N 0.49 2.65 0.19 3.54 -0.04 -1.26 -0.14 135.00 140.43 2xcn n PRO 131 Ca -0.17 0.94 0.08 0.00 -0.04 0.00 0.00 63.50 64.30 2xcn n PRO 131 Cb 0.60 -2.68 0.59 0.00 -0.04 0.00 0.00 33.50 31.97 2xcn n PRO 131 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2xcn h ILE 132 N 3.10 1.01 0.00 0.52 -0.00 -1.18 -0.27 117.51 120.69 2xcn h ILE 132 Ca -0.49 -0.04 -0.03 0.00 -0.00 0.00 0.00 64.86 64.30 2xcn h ILE 132 Cb 1.24 0.87 -0.00 0.00 -0.00 0.00 0.00 36.82 38.93 2xcn h ILE 132 CO 0.71 0.02 -0.13 0.77 -0.00 0.00 0.00 178.15 179.52 2xcn h SER 133 N 0.13 0.00 0.29 2.19 4.64 -1.90 -1.60 113.55 117.29 2xcn h SER 133 Ca 0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2xcn h SER 133 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2xcn h SER 133 CO -0.01 0.13 -0.05 0.22 -0.87 0.00 0.00 176.83 176.25 2xcn h TYR 134 N 0.00 0.00 0.00 4.77 3.20 -1.41 -3.10 116.97 120.44 2xcn h TYR 134 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2xcn h TYR 134 Cb 0.38 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.65 2xcn h TYR 134 CO 0.00 0.05 -1.00 1.28 -1.64 0.00 0.00 178.16 176.85 2xcn n LEU 135 N -3.44 0.46 -4.70 2.82 4.77 -0.61 -4.90 117.00 111.39 2xcn n LEU 135 Ca -0.02 -0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.20 2xcn n LEU 135 Cb 0.17 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2xcn n LEU 135 CO 0.26 0.12 1.44 -0.75 -1.33 0.00 0.00 177.39 177.12 2xcn s LYS 136 N -2.57 4.13 0.00 3.23 2.47 -1.15 -1.24 119.74 124.61 2xcn s LYS 136 Ca 0.02 2.59 0.00 0.00 -1.56 0.00 0.00 55.97 57.02 2xcn s LYS 136 Cb 0.10 -3.42 0.00 0.00 -1.46 0.00 0.00 37.83 33.05 2xcn s LYS 136 CO 0.60 -0.81 0.00 0.41 0.16 0.00 0.00 175.35 175.71 2xcn n GLY 137 N 4.14 0.66 0.40 5.54 0.00 -1.26 -4.90 105.19 109.78 2xcn n GLY 137 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 2xcn n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2xcn n SER 138 N 0.00 1.71 -4.69 1.61 7.64 -0.38 -3.80 113.62 115.72 2xcn n SER 138 Ca 0.00 -1.32 -0.44 0.00 1.01 0.00 0.00 58.87 58.12 2xcn n SER 138 Cb 0.00 0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.58 2xcn n SER 138 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2xcn n SER 139 N -0.27 3.75 0.00 6.43 3.41 -1.26 -1.39 113.62 124.29 2xcn n SER 139 Ca 0.10 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 2xcn n SER 139 Cb 0.43 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 2xcn n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xcn n GLY 140 N 3.99 0.39 3.84 5.00 0.00 0.36 -1.01 105.19 117.77 2xcn n GLY 140 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2xcn n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2xcn s GLY 141 N -1.75 1.65 0.35 -0.02 0.00 -0.49 -3.76 107.32 103.30 2xcn s GLY 141 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 44.72 44.53 2xcn s GLY 141 CO 0.00 0.26 0.74 2.56 0.00 0.00 0.00 173.10 176.66 2xcn s PRO 142 N -5.14 3.89 -0.13 2.90 0.04 -1.26 -0.17 135.00 135.13 2xcn s PRO 142 Ca 0.58 0.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.13 2xcn s PRO 142 Cb -0.13 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 2xcn s PRO 142 CO 0.54 0.08 0.01 -0.51 0.04 0.00 0.00 177.00 177.16 2xcn s LEU 143 N -3.37 3.57 0.14 -3.56 1.02 0.20 -1.47 118.68 115.21 2xcn s LEU 143 Ca 0.52 0.06 0.08 0.00 0.02 0.00 0.00 54.13 54.82 2xcn s LEU 143 Cb -0.10 -1.85 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 2xcn s LEU 143 CO 0.24 0.27 -0.12 -0.76 0.02 0.00 0.00 176.35 176.00 2xcn s LEU 144 N -0.24 2.91 0.73 1.79 1.43 0.95 -0.28 118.68 125.96 2xcn s LEU 144 Ca 0.06 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.55 2xcn s LEU 144 Cb -0.12 -1.68 0.05 0.00 0.03 0.00 0.00 46.19 44.47 2xcn s LEU 144 CO 0.02 0.15 1.09 0.00 0.23 0.00 0.00 176.35 177.84 2xcn n PRO 146 N -3.06 0.04 0.05 0.00 -0.02 -1.24 -0.29 135.00 130.48 2xcn n PRO 146 Ca 0.07 0.42 0.11 0.00 -2.02 0.00 0.00 63.50 62.09 2xcn n PRO 146 Cb 0.59 -1.82 0.05 0.00 -0.02 0.00 0.00 33.50 32.30 2xcn n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xcn n ALA 147 N -1.43 3.02 -0.65 3.55 0.00 -1.26 -4.55 120.51 119.19 2xcn n ALA 147 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2xcn n ALA 147 Cb 0.21 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2xcn n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xcn n GLY 148 N 1.31 1.05 3.86 0.00 0.00 0.60 -4.00 105.19 108.01 2xcn n GLY 148 Ca 0.01 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 2xcn n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xcn s HIS 149 N -2.00 3.30 0.02 1.61 3.76 -1.25 -4.77 115.29 115.95 2xcn s HIS 149 Ca 0.00 0.07 -0.30 0.00 -0.15 0.00 0.00 55.06 54.67 2xcn s HIS 149 Cb 0.00 -1.60 -0.05 0.00 1.11 0.00 0.00 32.58 32.04 2xcn s HIS 149 CO 0.00 0.53 1.21 0.00 -0.85 0.00 0.00 174.74 175.62 2xcn s ALA 150 N -1.67 3.43 -0.16 -1.40 0.00 0.10 -1.40 121.76 120.66 2xcn s ALA 150 Ca 0.32 0.77 0.04 0.00 0.00 0.00 0.00 51.96 53.09 2xcn s ALA 150 Cb -0.11 -3.48 -0.13 0.00 0.00 0.00 0.00 23.12 19.41 2xcn s ALA 150 CO 0.25 -0.57 -0.10 0.28 0.00 0.00 0.00 175.76 175.63 2xcn n VAL 151 N 4.21 0.96 -3.71 0.00 0.31 0.62 0.64 118.33 121.35 2xcn n VAL 151 Ca 0.10 -0.43 -0.02 0.00 -0.01 0.00 0.00 64.34 63.98 2xcn n VAL 151 Cb 0.46 -0.98 -0.01 0.00 -0.91 0.00 0.00 33.84 32.41 2xcn n VAL 151 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2xcn s GLY 152 N -5.37 -0.29 -0.08 2.92 0.00 -1.10 -0.53 107.32 102.87 2xcn s GLY 152 Ca -0.18 0.31 -0.01 0.00 0.00 0.00 0.00 44.72 44.84 2xcn s GLY 152 CO 0.44 0.04 -0.02 1.08 0.00 0.00 0.00 173.10 174.63 2xcn s LEU 153 N -2.96 3.43 0.02 0.66 1.43 0.50 0.63 118.68 122.39 2xcn s LEU 153 Ca 0.13 0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 2xcn s LEU 153 Cb 0.01 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 2xcn s LEU 153 CO 0.00 0.37 1.42 0.12 0.23 0.00 0.00 176.35 178.50 2xcn s PHE 154 N -0.87 2.85 -0.08 0.29 5.36 0.76 0.23 117.98 126.53 2xcn s PHE 154 Ca 0.13 0.79 -0.09 0.00 -0.96 0.00 0.00 56.93 56.80 2xcn s PHE 154 Cb -0.11 -3.69 -0.04 0.00 -0.34 0.00 0.00 43.02 38.84 2xcn s PHE 154 CO 0.02 -2.57 -0.19 -2.13 -1.46 0.00 0.00 175.22 168.89 2xcn n ARG 155 N 5.24 0.29 -3.73 10.12 0.63 -0.50 -0.48 116.66 128.22 2xcn n ARG 155 Ca 0.13 0.12 -0.11 0.00 -0.92 0.00 0.00 57.85 57.07 2xcn n ARG 155 Cb 0.43 -1.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.27 2xcn n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2xcn s ALA 156 N -2.42 -0.73 -0.10 5.13 0.00 -0.68 -4.86 121.76 118.09 2xcn s ALA 156 Ca -0.17 -0.00 -0.06 0.00 0.00 0.00 0.00 51.96 51.73 2xcn s ALA 156 Cb 0.04 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 2xcn s ALA 156 CO 0.24 -0.46 0.14 0.00 0.00 0.00 0.00 175.76 175.68 2xcn s ALA 157 N -2.80 3.87 -0.41 0.00 0.00 -1.26 0.25 121.76 121.41 2xcn s ALA 157 Ca -0.03 -0.67 -0.15 0.00 0.00 0.00 0.00 51.96 51.11 2xcn s ALA 157 Cb -0.00 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.20 2xcn s ALA 157 CO -0.05 0.64 0.33 0.08 0.00 0.00 0.00 175.76 176.76 2xcn s VAL 158 N -1.08 5.22 0.20 0.00 1.01 0.50 -4.93 120.40 121.33 2xcn s VAL 158 Ca 0.17 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 2xcn s VAL 158 Cb -0.12 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 2xcn s VAL 158 CO 0.06 -0.34 0.40 0.00 0.00 0.00 0.00 175.10 175.22 2xcn s THR 160 N -3.97 0.00 -2.02 0.00 -4.23 -1.01 -4.89 115.64 99.51 2xcn s THR 160 Ca 0.18 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 2xcn s THR 160 Cb 0.01 -0.38 0.00 0.00 1.34 0.00 0.00 72.50 73.47 2xcn s THR 160 CO 0.03 -0.00 0.00 0.54 -0.54 0.00 0.00 174.62 174.65 2xcn n ARG 161 N 2.93 -1.46 -0.78 3.99 5.12 -1.26 -2.05 116.66 123.14 2xcn n ARG 161 Ca -0.13 1.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.92 2xcn n ARG 161 Cb 0.58 -5.52 0.00 0.00 -1.16 0.00 0.00 32.46 26.36 2xcn n ARG 161 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2xcn n GLY 162 N -0.43 0.52 3.12 -0.13 0.00 -1.26 -5.03 105.19 101.98 2xcn n GLY 162 Ca -0.20 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 2xcn n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xcn s VAL 163 N -2.00 2.17 0.06 1.61 1.01 -0.87 -0.58 120.40 121.80 2xcn s VAL 163 Ca 0.00 -1.13 -0.22 0.00 0.00 0.00 0.00 61.98 60.63 2xcn s VAL 163 Cb 0.00 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.29 2xcn s VAL 163 CO 0.00 0.36 0.66 0.00 0.00 0.00 0.00 175.10 176.11 2xcn s ALA 164 N 1.24 3.49 0.00 5.51 0.00 0.80 -2.40 121.76 130.40 2xcn s ALA 164 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2xcn s ALA 164 Cb -0.15 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2xcn s ALA 164 CO -0.10 0.24 0.00 0.36 0.00 0.00 0.00 175.76 176.26 2xcn n LYS 165 N 2.21 2.81 -3.90 0.00 2.85 -0.71 -1.58 118.16 119.83 2xcn n LYS 165 Ca -0.07 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.10 2xcn n LYS 165 Cb 0.50 -0.68 -0.08 0.00 -0.65 0.00 0.00 35.03 34.12 2xcn n LYS 165 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2xcn s ALA 166 N -1.10 -0.10 0.04 0.58 0.00 -1.18 -1.17 121.76 118.82 2xcn s ALA 166 Ca 0.00 -0.64 0.09 0.00 0.00 0.00 0.00 51.96 51.41 2xcn s ALA 166 Cb 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 2xcn s ALA 166 CO 0.00 -0.43 -0.26 0.14 0.00 0.00 0.00 175.76 175.21 2xcn s VAL 167 N -3.43 2.13 -0.09 0.00 -7.23 0.59 -0.37 120.40 112.00 2xcn s VAL 167 Ca 0.02 -1.36 -0.01 0.00 -1.81 0.00 0.00 61.98 58.82 2xcn s VAL 167 Cb 0.03 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 2xcn s VAL 167 CO -0.08 0.39 -0.04 -0.62 -0.31 0.00 0.00 175.10 174.44 2xcn s ASP 168 N -1.16 4.88 0.07 4.85 2.15 0.14 -1.68 116.67 125.91 2xcn s ASP 168 Ca 0.12 0.02 -0.13 0.00 0.43 0.00 0.00 52.55 52.99 2xcn s ASP 168 Cb -0.10 -1.39 0.02 0.00 -0.30 0.00 0.00 42.92 41.15 2xcn s ASP 168 CO 0.02 0.33 0.29 0.72 -0.17 0.00 0.00 175.17 176.36 2xcn s PHE 169 N -0.62 -0.06 -0.26 -5.34 -0.12 -0.84 -1.42 117.98 109.32 2xcn s PHE 169 Ca 0.10 -0.18 -0.25 0.00 -0.05 0.00 0.00 56.93 56.55 2xcn s PHE 169 Cb -0.12 0.08 -0.00 0.00 -0.63 0.00 0.00 43.02 42.35 2xcn s PHE 169 CO 0.02 -0.54 0.86 0.42 -0.05 0.00 0.00 175.22 175.92 2xcn s ILE 170 N -3.06 4.79 0.51 -4.49 1.01 0.13 -4.58 121.20 115.52 2xcn s ILE 170 Ca -0.01 1.54 -0.19 0.00 0.00 0.00 0.00 60.65 61.98 2xcn s ILE 170 Cb 0.01 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 2xcn s ILE 170 CO -0.07 -0.15 1.06 -2.84 0.00 0.00 0.00 174.94 172.94 2xcn s PRO 171 N 2.95 3.64 0.47 2.79 0.02 -1.26 -0.37 135.00 143.24 2xcn s PRO 171 Ca 0.36 1.38 0.26 0.00 0.02 0.00 0.00 61.00 63.02 2xcn s PRO 171 Cb -0.15 -2.07 1.31 0.00 0.02 0.00 0.00 34.50 33.61 2xcn s PRO 171 CO 0.09 -0.57 1.81 0.28 -0.33 0.00 0.00 177.00 178.28 2xcn h VAL 172 N 1.31 0.51 -0.26 3.83 2.07 -1.14 -1.83 116.25 120.73 2xcn h VAL 172 Ca -0.49 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.00 2xcn h VAL 172 Cb 1.23 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2xcn h VAL 172 CO 0.58 0.04 -0.00 -0.33 0.02 0.00 0.00 177.57 177.88 2xcn h GLU 173 N 0.20 0.07 -0.49 1.57 3.07 -1.92 -1.57 114.58 115.52 2xcn h GLU 173 Ca 0.54 -0.00 0.13 0.00 -0.50 0.00 0.00 59.36 59.53 2xcn h GLU 173 Cb 1.74 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.62 2xcn h GLU 173 CO -0.14 0.05 0.35 -0.91 -1.40 0.00 0.00 179.01 176.95 2xcn h ASN 174 N 0.07 0.06 0.84 1.42 4.21 -1.71 -0.90 115.58 119.58 2xcn h ASN 174 Ca 0.13 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.60 2xcn h ASN 174 Cb 0.17 -0.01 0.01 0.00 -1.12 0.00 0.00 38.32 37.36 2xcn h ASN 174 CO -0.22 0.03 -0.40 -0.07 -1.29 0.00 0.00 177.43 175.49 2xcn h LEU 175 N 0.07 -0.96 -0.58 1.61 4.07 -1.37 -1.19 115.31 116.97 2xcn h LEU 175 Ca 0.23 0.03 0.12 0.00 0.08 0.00 0.00 57.88 58.34 2xcn h LEU 175 Cb 0.83 0.25 -0.10 0.00 1.08 0.00 0.00 40.66 42.72 2xcn h LEU 175 CO -0.02 -0.68 -0.02 -0.33 -1.08 0.00 0.00 178.44 176.31 2xcn h GLU 176 N -1.13 0.09 -0.98 1.13 3.07 -1.10 0.33 114.58 115.99 2xcn h GLU 176 Ca -0.12 -0.01 0.20 0.00 -0.50 0.00 0.00 59.36 58.94 2xcn h GLU 176 Cb 0.86 -0.02 -0.11 0.00 -0.84 0.00 0.00 28.75 28.64 2xcn h GLU 176 CO 0.19 0.06 0.57 1.15 -1.40 0.00 0.00 179.01 179.58 2xcn h THR 177 N 0.10 0.65 0.00 1.13 2.02 -1.26 -2.45 112.91 113.09 2xcn h THR 177 Ca 0.30 -0.23 -0.18 0.00 0.77 0.00 0.00 66.41 67.07 2xcn h THR 177 Cb 0.47 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 2xcn h THR 177 CO -0.51 0.12 -0.85 0.74 0.37 0.00 0.00 175.52 175.39 2xcn h THR 178 N 0.68 1.60 -0.27 3.16 2.02 0.84 -2.62 112.91 118.32 2xcn h THR 178 Ca 0.58 -2.87 -0.04 0.00 0.77 0.00 0.00 66.41 64.85 2xcn h THR 178 Cb 0.96 2.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.91 2xcn h THR 178 CO -0.41 0.82 -0.00 0.24 0.37 0.00 0.00 175.52 176.53 2xcn h MET 179 N 0.01 0.40 -0.03 6.66 2.07 -0.60 -3.47 114.93 119.98 2xcn h MET 179 Ca -0.01 -0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 2xcn h MET 179 Cb 1.50 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 31.17 2xcn h MET 179 CO 0.11 0.44 0.00 0.54 1.07 0.00 0.00 176.91 179.07