#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a14 s ARG 4 N 0.00 4.40 0.24 3.49 0.52 -0.47 -4.85 118.95 122.28 3a14 s ARG 4 Ca 0.00 0.86 -0.18 0.00 -0.52 0.00 0.00 55.73 55.89 3a14 s ARG 4 Cb 0.00 -3.38 -0.08 0.00 0.52 0.00 0.00 34.95 32.01 3a14 s ARG 4 CO 0.00 0.26 0.71 0.95 0.02 0.00 0.00 175.30 177.24 3a14 s THR 5 N 0.12 4.63 -0.01 0.02 -4.23 -1.26 0.10 115.64 115.01 3a14 s THR 5 Ca 0.35 1.15 0.02 0.00 -1.18 0.00 0.00 61.69 62.03 3a14 s THR 5 Cb -0.19 -3.78 -0.00 0.00 1.34 0.00 0.00 72.50 69.87 3a14 s THR 5 CO 0.19 0.11 -0.08 -0.22 -0.54 0.00 0.00 174.62 174.08 3a14 s LEU 6 N -2.24 1.96 -0.10 4.79 2.96 0.17 -1.36 118.68 124.88 3a14 s LEU 6 Ca 0.45 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.26 3a14 s LEU 6 Cb -0.15 -0.41 -0.01 0.00 0.50 0.00 0.00 46.19 46.13 3a14 s LEU 6 CO 0.20 0.08 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.42 3a14 s VAL 7 N -0.09 2.40 -0.27 1.68 1.01 -0.38 -0.56 120.40 124.18 3a14 s VAL 7 Ca 0.02 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 3a14 s VAL 7 Cb -0.04 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.42 3a14 s VAL 7 CO -0.00 0.55 0.02 -0.63 0.00 0.00 0.00 175.10 175.04 3a14 s ILE 8 N 0.16 3.55 -0.05 2.22 1.01 -0.59 -0.42 121.20 127.07 3a14 s ILE 8 Ca -0.11 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 59.60 3a14 s ILE 8 Cb -0.16 -2.80 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 3a14 s ILE 8 CO 0.06 0.16 0.44 -0.76 0.00 0.00 0.00 174.94 174.84 3a14 s LEU 9 N 1.44 4.39 -0.49 2.97 1.43 -0.02 -1.44 118.68 126.95 3a14 s LEU 9 Ca 0.02 0.90 -0.01 0.00 -1.03 0.00 0.00 54.13 54.00 3a14 s LEU 9 Cb -0.17 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.42 3a14 s LEU 9 CO -0.00 0.18 0.42 0.61 0.23 0.00 0.00 176.35 177.79 3a14 n GLY 10 N 2.47 0.21 0.25 -3.19 0.00 -0.56 -0.98 105.19 103.39 3a14 n GLY 10 Ca -0.11 -0.27 0.17 0.00 0.00 0.00 0.00 46.02 45.81 3a14 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a14 h ALA 11 N 0.37 1.00 -0.02 4.61 0.00 -1.11 -2.96 119.26 121.16 3a14 h ALA 11 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3a14 h ALA 11 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3a14 h ALA 11 CO 0.21 0.00 -0.12 0.25 0.00 0.00 0.00 179.25 179.58 3a14 n THR 12 N -2.76 0.00 -2.27 0.00 -2.24 -1.26 -3.01 114.28 102.74 3a14 n THR 12 Ca -0.01 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.29 3a14 n THR 12 Cb 0.17 1.13 0.07 0.00 -2.10 0.00 0.00 70.33 69.60 3a14 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a14 n GLY 13 N 1.33 0.36 0.27 3.38 0.00 -1.12 -4.83 105.19 104.58 3a14 n GLY 13 Ca 0.14 -1.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.07 3a14 n GLY 13 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3a14 h SER 14 N -0.41 -0.56 -0.80 1.61 0.87 -1.91 -0.41 113.55 111.94 3a14 h SER 14 Ca -0.18 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.37 3a14 h SER 14 Cb 0.63 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.72 3a14 h SER 14 CO 0.18 -0.36 0.32 0.40 -0.53 0.00 0.00 176.83 176.84 3a14 h ILE 15 N -0.56 1.26 0.19 2.23 1.08 -1.90 -1.09 117.51 118.72 3a14 h ILE 15 Ca -0.04 -0.83 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 3a14 h ILE 15 Cb 0.47 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 3a14 h ILE 15 CO 0.03 0.34 -0.17 1.23 -0.69 0.00 0.00 178.15 178.89 3a14 h GLY 16 N 1.16 -0.38 1.78 5.37 0.00 -1.63 0.13 103.07 109.50 3a14 h GLY 16 Ca 0.27 0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.66 3a14 h GLY 16 CO -0.02 -0.17 -0.51 -0.91 0.00 0.00 0.00 176.54 174.93 3a14 h THR 17 N -0.38 1.35 -0.68 4.70 1.35 -0.98 -2.12 112.91 116.15 3a14 h THR 17 Ca -0.00 -1.77 -0.04 0.00 -0.55 0.00 0.00 66.41 64.05 3a14 h THR 17 Cb 0.35 1.85 -0.03 0.00 -1.73 0.00 0.00 68.15 68.59 3a14 h THR 17 CO -0.03 0.52 0.26 1.56 -0.25 0.00 0.00 175.52 177.59 3a14 h GLN 18 N 0.19 1.01 -0.33 4.72 4.20 -0.97 -1.90 115.11 122.03 3a14 h GLN 18 Ca 0.01 -0.18 0.03 0.00 0.06 0.00 0.00 58.65 58.57 3a14 h GLN 18 Cb 0.97 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 3a14 h GLN 18 CO 0.08 0.83 0.15 1.15 -0.67 0.00 0.00 178.83 180.38 3a14 h THR 19 N 0.99 0.97 -0.84 -0.54 2.02 -0.37 -1.80 112.91 113.34 3a14 h THR 19 Ca 0.23 -0.11 0.13 0.00 0.77 0.00 0.00 66.41 67.43 3a14 h THR 19 Cb 0.21 0.62 -0.09 0.00 -1.74 0.00 0.00 68.15 67.14 3a14 h THR 19 CO -0.02 0.06 0.44 -0.07 0.37 0.00 0.00 175.52 176.30 3a14 h LEU 20 N 0.32 0.56 -0.69 2.58 3.38 -1.16 -1.76 115.31 118.55 3a14 h LEU 20 Ca 0.14 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3a14 h LEU 20 Cb 0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3a14 h LEU 20 CO -0.11 0.26 0.39 -0.78 0.09 0.00 0.00 178.44 178.30 3a14 h ASP 21 N 0.66 0.84 -0.98 -0.43 1.82 -0.92 -2.07 116.42 115.34 3a14 h ASP 21 Ca 0.45 -0.08 0.03 0.00 -0.39 0.00 0.00 57.03 57.03 3a14 h ASP 21 Cb 0.58 -0.21 -0.05 0.00 0.68 0.00 0.00 39.33 40.32 3a14 h ASP 21 CO -0.33 0.68 0.65 0.58 -1.61 0.00 0.00 179.24 179.20 3a14 h VAL 22 N 0.94 1.20 -0.00 2.25 2.07 -0.60 -2.56 116.25 119.55 3a14 h VAL 22 Ca 0.24 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 3a14 h VAL 22 Cb 0.01 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.58 3a14 h VAL 22 CO -0.04 0.23 -0.32 -0.07 0.02 0.00 0.00 177.57 177.39 3a14 h LEU 23 N 1.27 0.00 -1.30 2.57 3.38 -0.69 0.11 115.31 120.66 3a14 h LEU 23 Ca 0.38 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.28 3a14 h LEU 23 Cb -0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3a14 h LEU 23 CO -0.10 0.33 -0.33 0.11 0.09 0.00 0.00 178.44 178.53 3a14 h LYS 24 N 0.00 0.00 0.00 1.13 1.79 -1.02 -3.31 116.57 115.16 3a14 h LYS 24 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3a14 h LYS 24 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 3a14 h LYS 24 CO 0.04 0.33 -1.52 1.63 -1.08 0.00 0.00 179.45 178.86 3a14 n LYS 25 N -3.89 0.63 -3.87 3.15 4.76 -0.14 -4.92 118.16 113.89 3a14 n LYS 25 Ca -0.02 -0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.26 3a14 n LYS 25 Cb 0.40 -1.67 -0.14 0.00 -1.84 0.00 0.00 35.03 31.79 3a14 n LYS 25 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3a14 s VAL 26 N -3.44 0.00 0.41 -0.18 0.11 -0.24 -5.03 120.40 112.03 3a14 s VAL 26 Ca -0.04 -0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 58.96 3a14 s VAL 26 Cb 0.12 -0.04 -0.04 0.00 -1.53 0.00 0.00 36.38 34.90 3a14 s VAL 26 CO 0.85 -0.01 0.67 -0.54 -3.33 0.00 0.00 175.10 172.75 3a14 s LYS 27 N -0.02 3.52 0.00 1.54 1.02 -1.26 -4.60 119.74 119.95 3a14 s LYS 27 Ca -0.00 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 55.95 3a14 s LYS 27 Cb -0.00 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 3a14 s LYS 27 CO 0.00 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 3a14 n GLY 28 N -1.99 1.08 3.19 -3.33 0.00 -1.26 -5.05 105.19 97.84 3a14 n GLY 28 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3a14 n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a14 s ILE 29 N -2.00 1.78 -0.25 -0.61 1.01 -1.26 -1.37 121.20 118.50 3a14 s ILE 29 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 3a14 s ILE 29 Cb 0.00 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 3a14 s ILE 29 CO 0.00 0.50 0.03 -0.60 0.00 0.00 0.00 174.94 174.87 3a14 s ARG 30 N 0.09 3.46 -0.19 2.79 6.06 0.12 -4.78 118.95 126.49 3a14 s ARG 30 Ca -0.08 -0.60 -0.29 0.00 -2.50 0.00 0.00 55.73 52.26 3a14 s ARG 30 Cb -0.14 -3.21 -0.01 0.00 0.06 0.00 0.00 34.95 31.64 3a14 s ARG 30 CO 0.04 -0.23 1.26 -1.17 -2.50 0.00 0.00 175.30 172.70 3a14 s LEU 31 N 1.54 4.13 -0.01 -0.88 2.96 -1.26 -0.65 118.68 124.51 3a14 s LEU 31 Ca 0.06 1.60 0.08 0.00 -0.22 0.00 0.00 54.13 55.64 3a14 s LEU 31 Cb -0.15 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.89 3a14 s LEU 31 CO 0.01 -0.81 0.21 2.30 -1.32 0.00 0.00 176.35 176.74 3a14 n ILE 32 N 5.50 0.00 -3.59 6.68 -5.35 0.28 -4.81 119.36 118.08 3a14 n ILE 32 Ca 0.14 -0.22 -0.14 0.00 -0.27 0.00 0.00 62.75 62.26 3a14 n ILE 32 Cb 0.45 0.53 -0.05 0.00 -1.74 0.00 0.00 39.64 38.83 3a14 n ILE 32 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3a14 s GLY 33 N -2.53 -0.40 0.14 3.28 0.00 -1.16 -3.41 107.32 103.23 3a14 s GLY 33 Ca -0.01 0.56 0.03 0.00 0.00 0.00 0.00 44.72 45.30 3a14 s GLY 33 CO 0.32 0.27 -0.08 -0.26 0.00 0.00 0.00 173.10 173.35 3a14 s ILE 34 N -2.43 0.98 0.17 0.90 -5.25 -0.65 -1.55 121.20 113.37 3a14 s ILE 34 Ca -0.05 -2.02 0.11 0.00 -0.99 0.00 0.00 60.65 57.70 3a14 s ILE 34 Cb -0.01 -1.85 -0.04 0.00 2.95 0.00 0.00 42.46 43.51 3a14 s ILE 34 CO -0.02 -0.74 -0.25 -0.94 -1.79 0.00 0.00 174.94 171.21 3a14 s SER 35 N -3.14 3.32 0.19 4.36 1.04 -0.52 -1.14 113.70 117.82 3a14 s SER 35 Ca 0.16 -0.82 -0.15 0.00 0.48 0.00 0.00 55.95 55.63 3a14 s SER 35 Cb 0.04 -0.23 0.01 0.00 0.10 0.00 0.00 66.02 65.94 3a14 s SER 35 CO -0.00 0.13 0.45 0.72 0.98 0.00 0.00 173.24 175.52 3a14 s PHE 36 N -1.44 0.09 -0.07 5.02 -0.12 -0.99 -0.83 117.98 119.63 3a14 s PHE 36 Ca 0.17 -0.44 -0.07 0.00 -0.05 0.00 0.00 56.93 56.54 3a14 s PHE 36 Cb -0.09 0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.53 3a14 s PHE 36 CO 0.08 -0.88 -0.13 1.58 -0.05 0.00 0.00 175.22 175.82 3a14 n HIS 37 N -0.31 0.04 0.00 3.49 -0.00 -1.26 -2.24 115.22 114.94 3a14 n HIS 37 Ca -0.08 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 3a14 n HIS 37 Cb 0.62 -0.23 0.00 0.00 -0.00 0.00 0.00 29.99 30.39 3a14 n HIS 37 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 3a14 n SER 38 N -3.28 2.35 -4.19 0.26 3.41 -1.26 -2.15 113.62 108.77 3a14 n SER 38 Ca -0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.21 3a14 n SER 38 Cb 0.20 0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 3a14 n SER 38 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3a14 n ASN 39 N -0.80 2.96 0.02 4.04 2.85 -1.26 -4.76 115.26 118.32 3a14 n ASN 39 Ca 0.00 -2.70 -0.02 0.00 -0.11 0.00 0.00 54.58 51.75 3a14 n ASN 39 Cb 0.04 -1.49 0.25 0.00 1.24 0.00 0.00 39.78 39.82 3a14 n ASN 39 CO 0.00 0.00 0.00 0.17 -2.11 0.00 0.00 177.26 175.32 3a14 h LEU 40 N 15.84 0.45 -0.49 1.20 8.10 -1.96 -1.70 115.31 136.75 3a14 h LEU 40 Ca 0.32 -0.13 -0.02 0.00 0.11 0.00 0.00 57.88 58.16 3a14 h LEU 40 Cb 0.82 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 40.90 3a14 h LEU 40 CO 1.54 0.64 0.23 -0.08 -4.11 0.00 0.00 178.44 176.66 3a14 h GLU 41 N 0.42 0.71 -0.22 0.17 4.81 -2.00 0.88 114.58 119.35 3a14 h GLU 41 Ca 0.07 -0.11 -0.17 0.00 -0.13 0.00 0.00 59.36 59.02 3a14 h GLU 41 Cb 0.54 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3a14 h GLU 41 CO 0.04 0.60 -0.53 1.25 -0.73 0.00 0.00 179.01 179.63 3a14 h LEU 42 N 0.65 0.85 -0.66 1.64 5.85 -1.95 -2.88 115.31 118.80 3a14 h LEU 42 Ca 0.17 -0.56 0.04 0.00 0.84 0.00 0.00 57.88 58.36 3a14 h LEU 42 Cb 0.13 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3a14 h LEU 42 CO -0.02 1.26 0.40 0.00 -0.34 0.00 0.00 178.44 179.74 3a14 h ALA 43 N 0.61 0.87 -0.53 1.25 0.00 -1.09 0.04 119.26 120.41 3a14 h ALA 43 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a14 h ALA 43 Cb 1.15 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3a14 h ALA 43 CO 0.12 0.14 0.33 0.35 0.00 0.00 0.00 179.25 180.19 3a14 h PHE 44 N 0.78 0.68 -0.59 0.00 3.04 -0.84 -0.19 116.94 119.82 3a14 h PHE 44 Ca 0.27 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.28 3a14 h PHE 44 Cb 0.06 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.29 3a14 h PHE 44 CO -0.05 0.45 0.31 0.87 -2.02 0.00 0.00 178.31 177.87 3a14 h LYS 45 N 0.71 0.57 0.25 1.11 1.57 -1.14 -0.22 116.57 119.42 3a14 h LYS 45 Ca 0.19 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3a14 h LYS 45 Cb -0.04 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3a14 h LYS 45 CO -0.04 0.38 -0.12 0.82 -0.57 0.00 0.00 179.45 179.92 3a14 h ILE 46 N 0.59 0.77 -0.99 1.86 1.08 -0.42 -1.16 117.51 119.24 3a14 h ILE 46 Ca 0.26 -0.10 0.05 0.00 -0.39 0.00 0.00 64.86 64.68 3a14 h ILE 46 Cb 0.16 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 34.68 3a14 h ILE 46 CO -0.17 0.02 0.64 0.58 -0.69 0.00 0.00 178.15 178.53 3a14 h VAL 47 N -0.39 1.14 0.62 1.67 2.07 -0.90 -0.30 116.25 120.16 3a14 h VAL 47 Ca -0.03 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3a14 h VAL 47 Cb 0.30 -0.18 0.01 0.00 -1.52 0.00 0.00 31.29 29.90 3a14 h VAL 47 CO 0.06 0.22 -0.30 0.50 0.02 0.00 0.00 177.57 178.07 3a14 h LYS 48 N 1.21 -0.80 -0.28 1.57 3.64 -0.98 -1.18 116.57 119.75 3a14 h LYS 48 Ca 0.40 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.80 3a14 h LYS 48 Cb 0.07 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3a14 h LYS 48 CO -0.14 -0.49 -0.02 0.93 -2.27 0.00 0.00 179.45 177.46 3a14 h GLU 49 N -1.11 0.43 -0.20 1.90 3.07 -1.03 -2.83 114.58 114.80 3a14 h GLU 49 Ca -0.08 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 3a14 h GLU 49 Cb 0.68 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 3a14 h GLU 49 CO 0.14 0.47 0.00 1.19 -1.40 0.00 0.00 179.01 179.41 3a14 n PHE 50 N -4.30 0.24 -3.76 4.33 3.72 -0.14 -4.99 117.46 112.57 3a14 n PHE 50 Ca 0.01 -0.15 -0.25 0.00 -0.05 0.00 0.00 57.45 57.01 3a14 n PHE 50 Cb 0.23 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.79 3a14 n PHE 50 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3a14 n ASN 51 N 1.17 -2.09 -4.67 4.37 5.03 -0.52 -4.92 115.26 113.63 3a14 n ASN 51 Ca 0.14 -0.92 -0.41 0.00 0.87 0.00 0.00 54.58 54.26 3a14 n ASN 51 Cb 0.52 -3.63 -0.05 0.00 -1.02 0.00 0.00 39.78 35.60 3a14 n ASN 51 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3a14 s VAL 52 N -3.70 4.94 -1.95 2.41 1.01 -0.79 -4.95 120.40 117.37 3a14 s VAL 52 Ca 0.13 1.47 0.23 0.00 0.00 0.00 0.00 61.98 63.81 3a14 s VAL 52 Cb -0.04 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.29 3a14 s VAL 52 CO 0.84 0.07 1.14 0.29 0.00 0.00 0.00 175.10 177.45 3a14 n LYS 53 N 5.06 1.10 -4.04 2.72 4.76 -1.26 -4.88 118.16 121.62 3a14 n LYS 53 Ca 0.02 -0.89 -0.24 0.00 -2.87 0.00 0.00 58.31 54.34 3a14 n LYS 53 Cb 0.49 -1.48 -0.17 0.00 -1.84 0.00 0.00 35.03 32.03 3a14 n LYS 53 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3a14 s ASN 54 N -2.51 1.65 -0.04 4.39 -0.87 -1.22 0.51 114.94 116.85 3a14 s ASN 54 Ca 0.19 -0.20 0.02 0.00 -1.57 0.00 0.00 52.86 51.29 3a14 s ASN 54 Cb 0.18 -0.64 0.01 0.00 -0.02 0.00 0.00 41.25 40.79 3a14 s ASN 54 CO 0.58 -0.10 -0.07 -0.69 -2.57 0.00 0.00 177.10 174.26 3a14 s VAL 55 N 1.41 0.65 -0.21 1.60 1.01 -0.11 -1.63 120.40 123.12 3a14 s VAL 55 Ca -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 3a14 s VAL 55 Cb -0.13 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 3a14 s VAL 55 CO -0.03 0.24 -0.05 0.00 0.00 0.00 0.00 175.10 175.25 3a14 s ALA 56 N 0.63 2.81 -0.23 5.51 0.00 -0.29 -0.25 121.76 129.94 3a14 s ALA 56 Ca -0.09 -1.15 -0.10 0.00 0.00 0.00 0.00 51.96 50.62 3a14 s ALA 56 Cb -0.12 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 3a14 s ALA 56 CO 0.01 -0.38 0.14 0.42 0.00 0.00 0.00 175.76 175.95 3a14 s ILE 57 N 1.40 5.32 -0.15 0.00 1.01 -0.11 -2.35 121.20 126.32 3a14 s ILE 57 Ca 0.05 0.16 0.14 0.00 0.00 0.00 0.00 60.65 61.00 3a14 s ILE 57 Cb -0.14 -3.46 -0.20 0.00 0.01 0.00 0.00 42.46 38.66 3a14 s ILE 57 CO -0.03 0.38 0.36 0.35 0.00 0.00 0.00 174.94 176.00 3a14 n THR 58 N 4.04 0.00 -2.50 2.92 -2.24 -0.95 -2.95 114.28 112.59 3a14 n THR 58 Ca -0.15 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3a14 n THR 58 Cb 0.52 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 3a14 n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a14 n GLY 59 N 1.63 3.03 3.12 3.38 0.00 -0.91 -4.88 105.19 110.56 3a14 n GLY 59 Ca -0.02 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 3a14 n GLY 59 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a14 n ASP 60 N -0.71 4.76 -4.13 1.61 8.00 -1.26 -4.86 116.55 119.96 3a14 n ASP 60 Ca 0.00 -3.15 -0.11 0.00 0.71 0.00 0.00 54.79 52.24 3a14 n ASP 60 Cb 0.00 -1.14 -0.08 0.00 -0.02 0.00 0.00 41.12 39.87 3a14 n ASP 60 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3a14 s VAL 61 N -1.56 0.00 0.18 2.53 -7.23 -1.26 -5.06 120.40 108.00 3a14 s VAL 61 Ca 0.30 -1.81 0.06 0.00 -1.81 0.00 0.00 61.98 58.71 3a14 s VAL 61 Cb -0.05 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 3a14 s VAL 61 CO -0.09 -0.00 0.15 -1.61 -0.31 0.00 0.00 175.10 173.24 3a14 s GLU 62 N -4.11 2.89 -0.50 4.82 0.41 -1.26 -5.06 118.70 115.89 3a14 s GLU 62 Ca 0.34 -0.92 0.06 0.00 -0.41 0.00 0.00 54.97 54.04 3a14 s GLU 62 Cb 0.05 -2.62 0.22 0.00 -1.78 0.00 0.00 34.13 30.00 3a14 s GLU 62 CO 0.11 0.46 0.81 0.34 -0.49 0.00 0.00 175.26 176.50 3a14 n PHE 63 N -0.53 -3.41 0.00 1.61 -0.00 -1.26 -5.04 117.46 108.83 3a14 n PHE 63 Ca -0.08 -1.69 0.00 0.00 -0.00 0.00 0.00 57.45 55.68 3a14 n PHE 63 Cb 0.55 1.46 0.00 0.00 -0.00 0.00 0.00 39.48 41.50 3a14 n PHE 63 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 3a14 n GLU 64 N 2.12 0.00 -2.99 -4.13 0.28 -1.26 -4.92 120.64 109.75 3a14 n GLU 64 Ca 0.13 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 3a14 n GLU 64 Cb 0.60 -0.64 0.00 0.00 1.43 0.00 0.00 31.44 32.83 3a14 n GLU 64 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3a14 n ASP 65 N -0.18 -7.04 0.13 -1.84 4.64 -1.26 -4.85 116.55 106.16 3a14 n ASP 65 Ca 0.00 0.76 0.12 0.00 -1.38 0.00 0.00 54.79 54.29 3a14 n ASP 65 Cb 0.00 -1.49 0.50 0.00 -1.04 0.00 0.00 41.12 39.09 3a14 n ASP 65 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3a14 n SER 66 N 2.12 0.70 0.22 1.67 3.41 -1.26 -2.51 113.62 117.98 3a14 n SER 66 Ca 0.00 0.67 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 3a14 n SER 66 Cb 0.14 -0.82 0.30 0.00 -0.26 0.00 0.00 64.21 63.58 3a14 n SER 66 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3a14 h SER 67 N 0.00 0.00 -4.14 4.04 4.64 -1.99 -3.45 113.55 112.65 3a14 h SER 67 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3a14 h SER 67 Cb 0.38 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.25 3a14 h SER 67 CO 0.00 0.12 -0.84 0.27 -0.87 0.00 0.00 176.83 175.51 3a14 s ILE 68 N -3.33 1.84 -0.10 0.95 -0.00 -1.04 -4.95 121.20 114.56 3a14 s ILE 68 Ca 0.04 -1.55 -0.30 0.00 -0.00 0.00 0.00 60.65 58.85 3a14 s ILE 68 Cb 0.07 -1.65 -0.02 0.00 -0.00 0.00 0.00 42.46 40.86 3a14 s ILE 68 CO 0.65 0.01 1.13 0.20 -0.00 0.00 0.00 174.94 176.94 3a14 s ASN 69 N -1.84 7.10 -0.24 4.36 0.01 0.18 -4.89 114.94 119.61 3a14 s ASN 69 Ca 0.08 1.67 0.02 0.00 -0.71 0.00 0.00 52.86 53.92 3a14 s ASN 69 Cb -0.10 -2.55 0.06 0.00 0.41 0.00 0.00 41.25 39.07 3a14 s ASN 69 CO 0.04 -0.58 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.27 3a14 s VAL 70 N 2.44 1.90 0.05 1.60 1.01 -1.26 -0.93 120.40 125.21 3a14 s VAL 70 Ca 0.52 -1.42 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 3a14 s VAL 70 Cb -0.21 -2.05 -0.06 0.00 0.00 0.00 0.00 36.38 34.05 3a14 s VAL 70 CO 0.18 -0.02 0.45 0.26 0.00 0.00 0.00 175.10 175.97 3a14 s TRP 71 N 1.23 3.68 -0.03 5.22 0.51 0.65 -5.01 118.94 125.20 3a14 s TRP 71 Ca -0.07 0.99 -0.06 0.00 -2.12 0.00 0.00 56.10 54.84 3a14 s TRP 71 Cb -0.19 -2.29 0.01 0.00 -0.81 0.00 0.00 33.47 30.18 3a14 s TRP 71 CO -0.06 0.57 0.14 0.21 -0.51 0.00 0.00 176.95 177.30 3a14 s LYS 72 N -1.45 0.30 0.00 4.98 2.20 -1.26 -0.94 119.74 123.58 3a14 s LYS 72 Ca 0.29 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 3a14 s LYS 72 Cb -0.16 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 3a14 s LYS 72 CO 0.16 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 3a14 n GLY 73 N 2.31 -1.57 0.18 5.54 0.00 -1.15 -4.48 105.19 106.02 3a14 n GLY 73 Ca -0.17 -2.18 0.14 0.00 0.00 0.00 0.00 46.02 43.80 3a14 n GLY 73 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a14 h SER 74 N 0.00 0.00 -0.11 1.61 4.64 -1.91 -1.66 113.55 116.13 3a14 h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a14 h SER 74 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3a14 h SER 74 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 3a14 n HIS 75 N -2.49 0.38 -0.18 4.77 8.25 -1.26 -4.77 115.22 119.92 3a14 n HIS 75 Ca 0.01 -0.94 -0.07 0.00 -0.26 0.00 0.00 57.72 56.46 3a14 n HIS 75 Cb 0.23 -0.21 0.02 0.00 1.12 0.00 0.00 29.99 31.15 3a14 n HIS 75 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3a14 h SER 76 N 0.74 0.68 0.12 0.41 4.64 -1.52 -0.68 113.55 117.93 3a14 h SER 76 Ca 0.00 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 3a14 h SER 76 Cb 1.17 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3a14 h SER 76 CO 0.09 0.59 -0.06 0.40 -0.87 0.00 0.00 176.83 176.98 3a14 h ILE 77 N 0.71 0.97 -0.94 0.95 1.08 -1.86 0.17 117.51 118.59 3a14 h ILE 77 Ca 0.18 -0.38 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 3a14 h ILE 77 Cb 0.08 1.21 -0.05 0.00 -3.07 0.00 0.00 36.82 35.00 3a14 h ILE 77 CO -0.03 0.09 0.62 1.05 -0.69 0.00 0.00 178.15 179.20 3a14 h GLU 78 N -0.34 1.23 0.08 2.37 9.09 -1.88 -0.72 114.58 124.41 3a14 h GLU 78 Ca -0.02 -0.07 -0.28 0.00 0.05 0.00 0.00 59.36 59.04 3a14 h GLU 78 Cb 0.27 -0.28 0.03 0.00 -1.65 0.00 0.00 28.75 27.12 3a14 h GLU 78 CO 0.03 0.81 -1.13 0.93 0.05 0.00 0.00 179.01 179.69 3a14 h GLU 79 N 1.26 0.63 -0.41 1.06 5.08 -0.88 -1.31 114.58 120.02 3a14 h GLU 79 Ca 0.35 -0.78 0.07 0.00 -1.00 0.00 0.00 59.36 58.00 3a14 h GLU 79 Cb -0.12 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 3a14 h GLU 79 CO -0.08 1.35 0.03 1.98 -1.00 0.00 0.00 179.01 181.29 3a14 h MET 80 N 0.26 0.14 -0.40 2.33 4.05 -0.57 -1.99 114.93 118.75 3a14 h MET 80 Ca -0.16 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.23 3a14 h MET 80 Cb 1.81 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.56 3a14 h MET 80 CO 0.22 0.09 0.18 -0.07 0.23 0.00 0.00 176.91 177.57 3a14 h LEU 81 N 0.15 0.53 -0.81 3.39 3.38 -1.01 -0.73 115.31 120.21 3a14 h LEU 81 Ca 0.20 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.14 3a14 h LEU 81 Cb 0.27 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 3a14 h LEU 81 CO -0.30 0.52 0.43 -0.08 0.09 0.00 0.00 178.44 179.10 3a14 h GLU 82 N 0.50 0.67 -0.24 1.13 4.81 -1.10 0.29 114.58 120.65 3a14 h GLU 82 Ca 0.14 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.19 3a14 h GLU 82 Cb 0.14 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3a14 h GLU 82 CO -0.02 0.45 -0.40 0.00 -0.73 0.00 0.00 179.01 178.31 3a14 h ALA 83 N 1.48 0.86 0.00 2.92 0.00 -0.91 -3.33 119.26 120.29 3a14 h ALA 83 Ca 0.41 -0.44 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 3a14 h ALA 83 Cb 0.46 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3a14 h ALA 83 CO -0.29 0.64 -1.95 1.28 0.00 0.00 0.00 179.25 178.93 3a14 n LEU 84 N -4.03 0.41 -3.97 0.00 4.77 -0.32 -5.01 117.00 108.85 3a14 n LEU 84 Ca -0.02 0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 3a14 n LEU 84 Cb 0.51 0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.89 3a14 n LEU 84 CO 0.45 0.33 -0.15 0.29 -1.33 0.00 0.00 177.39 176.98 3a14 n LYS 85 N -2.79 -0.55 -1.84 3.23 4.76 1.00 -4.87 118.16 117.09 3a14 n LYS 85 Ca -0.20 0.22 -0.35 0.00 -2.87 0.00 0.00 58.31 55.11 3a14 n LYS 85 Cb 0.99 -2.83 0.05 0.00 -1.84 0.00 0.00 35.03 31.40 3a14 n LYS 85 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3a14 s PRO 86 N -6.89 2.74 0.28 1.97 0.04 -1.24 -4.91 135.00 126.98 3a14 s PRO 86 Ca 0.44 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.29 3a14 s PRO 86 Cb -0.23 -1.90 0.40 0.00 0.04 0.00 0.00 34.50 32.81 3a14 s PRO 86 CO 0.94 -1.38 1.75 -0.44 0.04 0.00 0.00 177.00 177.91 3a14 h ASP 87 N 0.54 0.61 -3.73 6.66 3.32 -1.81 -3.09 116.42 118.91 3a14 h ASP 87 Ca -0.50 -0.17 -0.33 0.00 0.02 0.00 0.00 57.03 56.05 3a14 h ASP 87 Cb 1.30 -0.16 -0.30 0.00 0.22 0.00 0.00 39.33 40.38 3a14 h ASP 87 CO 0.54 0.76 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.43 3a14 s ILE 88 N -4.76 0.35 -0.13 0.35 1.01 -0.46 -0.40 121.20 117.15 3a14 s ILE 88 Ca -0.08 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.46 3a14 s ILE 88 Cb 0.14 -0.34 0.02 0.00 0.01 0.00 0.00 42.46 42.29 3a14 s ILE 88 CO 0.80 0.13 -0.15 -0.89 0.00 0.00 0.00 174.94 174.83 3a14 s THR 89 N 0.29 1.53 -0.35 2.92 2.01 -0.35 -1.25 115.64 120.44 3a14 s THR 89 Ca -0.03 -0.64 -0.21 0.00 0.31 0.00 0.00 61.69 61.12 3a14 s THR 89 Cb -0.06 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 71.03 3a14 s THR 89 CO -0.00 0.45 0.66 -0.32 -0.69 0.00 0.00 174.62 174.71 3a14 s MET 90 N 1.22 3.71 -0.71 4.92 1.75 0.44 -0.51 119.30 130.12 3a14 s MET 90 Ca -0.01 0.12 -0.16 0.00 -1.25 0.00 0.00 55.69 54.38 3a14 s MET 90 Cb -0.14 -3.80 0.16 0.00 2.84 0.00 0.00 34.83 33.89 3a14 s MET 90 CO -0.06 -0.74 0.72 0.08 -0.65 0.00 0.00 175.02 174.37 3a14 s VAL 91 N 2.76 5.25 -0.19 10.11 1.01 0.59 -0.84 120.40 139.08 3a14 s VAL 91 Ca 0.26 -1.82 0.12 0.00 0.00 0.00 0.00 61.98 60.54 3a14 s VAL 91 Cb -0.14 -4.47 0.41 0.00 0.00 0.00 0.00 36.38 32.18 3a14 s VAL 91 CO 0.15 -1.06 1.21 0.00 0.00 0.00 0.00 175.10 175.40 3a14 n ALA 92 N 5.07 3.52 -1.78 5.51 0.00 -0.15 -1.08 120.51 131.60 3a14 n ALA 92 Ca 0.03 -3.21 -0.37 0.00 0.00 0.00 0.00 53.44 49.89 3a14 n ALA 92 Cb 0.44 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 3a14 n ALA 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3a14 s VAL 93 N -3.02 3.38 0.14 0.00 -7.23 -1.20 -4.53 120.40 107.95 3a14 s VAL 93 Ca 0.37 1.04 -0.03 0.00 -1.81 0.00 0.00 61.98 61.56 3a14 s VAL 93 Cb 0.37 -3.53 -0.05 0.00 0.56 0.00 0.00 36.38 33.73 3a14 s VAL 93 CO -0.07 -0.01 0.34 -0.94 -0.31 0.00 0.00 175.10 174.11 3a14 s SER 94 N -1.46 6.44 0.00 4.85 1.04 -1.26 -4.59 113.70 118.72 3a14 s SER 94 Ca 0.61 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.51 3a14 s SER 94 Cb -0.25 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 63.82 3a14 s SER 94 CO 0.31 0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.20 3a14 n GLY 95 N -0.03 -1.93 0.27 7.32 0.00 -1.26 -4.37 105.19 105.19 3a14 n GLY 95 Ca -0.03 -1.58 0.14 0.00 0.00 0.00 0.00 46.02 44.54 3a14 n GLY 95 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3a14 h PHE 96 N 0.00 0.00 0.00 1.61 3.57 -1.95 -1.63 116.94 118.54 3a14 h PHE 96 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3a14 h PHE 96 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3a14 h PHE 96 CO 0.00 0.11 0.00 0.66 -2.23 0.00 0.00 178.31 176.85 3a14 h SER 97 N 0.00 0.00 -0.27 0.41 4.64 -1.96 -2.36 113.55 114.01 3a14 h SER 97 Ca -0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 3a14 h SER 97 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3a14 h SER 97 CO 0.01 0.00 0.19 1.23 -0.87 0.00 0.00 176.83 177.39 3a14 h GLY 98 N 0.51 0.04 0.83 -0.77 0.00 -1.51 -2.41 103.07 99.76 3a14 h GLY 98 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3a14 h GLY 98 CO 0.00 0.01 -0.14 -2.00 0.00 0.00 0.00 176.54 174.41 3a14 h LEU 99 N 0.03 -0.32 -1.05 3.11 5.85 -1.65 -0.94 115.31 120.34 3a14 h LEU 99 Ca 0.13 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3a14 h LEU 99 Cb 0.46 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3a14 h LEU 99 CO -0.01 -0.09 -0.19 0.03 -0.34 0.00 0.00 178.44 177.85 3a14 h ARG 100 N -0.55 0.46 -0.43 1.25 3.08 -1.76 -2.20 114.38 114.22 3a14 h ARG 100 Ca -0.04 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 59.88 3a14 h ARG 100 Cb 0.41 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 3a14 h ARG 100 CO 0.06 0.63 0.25 0.00 -1.07 0.00 0.00 179.97 179.85 3a14 h ALA 101 N 1.39 0.55 -0.43 0.04 0.00 -1.32 -1.57 119.26 117.92 3a14 h ALA 101 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3a14 h ALA 101 Cb 0.57 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3a14 h ALA 101 CO 0.04 -0.07 0.11 0.28 0.00 0.00 0.00 179.25 179.61 3a14 h VAL 102 N 0.51 1.23 -0.58 0.00 2.07 -1.05 -1.05 116.25 117.37 3a14 h VAL 102 Ca 0.17 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3a14 h VAL 102 Cb 0.02 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3a14 h VAL 102 CO -0.08 0.28 0.34 -0.07 0.02 0.00 0.00 177.57 178.05 3a14 h LEU 103 N 0.55 0.71 -0.62 2.57 3.38 -1.26 -0.70 115.31 119.95 3a14 h LEU 103 Ca 0.14 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3a14 h LEU 103 Cb 0.30 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3a14 h LEU 103 CO -0.00 0.58 0.02 0.00 0.09 0.00 0.00 178.44 179.14 3a14 h ALA 104 N 1.16 0.83 -0.57 1.53 0.00 -1.22 -2.64 119.26 118.36 3a14 h ALA 104 Ca 0.21 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3a14 h ALA 104 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3a14 h ALA 104 CO -0.04 0.65 0.00 0.77 0.00 0.00 0.00 179.25 180.64 3a14 h SER 105 N 0.97 0.94 -0.53 0.00 0.02 -0.90 -2.37 113.55 111.69 3a14 h SER 105 Ca 0.18 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3a14 h SER 105 Cb 0.53 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 3a14 h SER 105 CO 0.03 1.00 0.25 -0.07 -1.14 0.00 0.00 176.83 176.90 3a14 h LEU 106 N 0.89 0.72 -0.93 5.07 3.38 -1.05 -1.55 115.31 121.85 3a14 h LEU 106 Ca 0.16 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3a14 h LEU 106 Cb 0.52 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3a14 h LEU 106 CO 0.03 0.63 -0.24 -0.08 0.09 0.00 0.00 178.44 178.87 3a14 h GLU 107 N 0.80 0.51 -0.01 1.13 4.57 -1.06 -3.37 114.58 117.16 3a14 h GLU 107 Ca 0.20 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3a14 h GLU 107 Cb 0.11 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3a14 h GLU 107 CO -0.02 0.71 0.00 0.72 -1.18 0.00 0.00 179.01 179.24 3a14 n HIS 108 N -4.13 0.01 -4.33 0.92 8.25 -1.01 -5.02 115.22 109.91 3a14 n HIS 108 Ca -0.00 -0.12 -0.24 0.00 -0.26 0.00 0.00 57.72 57.10 3a14 n HIS 108 Cb 0.40 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.38 3a14 n HIS 108 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3a14 s SER 109 N -0.28 2.78 0.07 0.41 0.15 -0.60 -3.70 113.70 112.52 3a14 s SER 109 Ca 0.01 -0.78 0.02 0.00 0.70 0.00 0.00 55.95 55.90 3a14 s SER 109 Cb 0.01 -0.17 -0.25 0.00 -1.71 0.00 0.00 66.02 63.90 3a14 s SER 109 CO 0.01 0.04 1.09 0.11 1.20 0.00 0.00 173.24 175.69 3a14 h LYS 110 N 3.62 0.13 -4.22 5.44 1.57 -1.41 -3.46 116.57 118.25 3a14 h LYS 110 Ca -0.45 -0.23 -0.37 0.00 -1.87 0.00 0.00 60.65 57.73 3a14 h LYS 110 Cb 1.19 0.08 -0.31 0.00 0.08 0.00 0.00 32.23 33.28 3a14 h LYS 110 CO 0.45 1.04 -0.77 0.50 -0.57 0.00 0.00 179.45 180.10 3a14 s ARG 111 N -2.66 0.63 -0.19 3.15 3.52 0.46 -1.82 118.95 122.03 3a14 s ARG 111 Ca -0.03 -0.16 -0.03 0.00 -0.13 0.00 0.00 55.73 55.38 3a14 s ARG 111 Cb 0.08 -0.64 -0.01 0.00 -1.56 0.00 0.00 34.95 32.82 3a14 s ARG 111 CO 0.85 0.03 -0.05 0.08 -0.81 0.00 0.00 175.30 175.40 3a14 s VAL 112 N 0.37 3.50 -0.40 7.11 1.01 0.89 -1.21 120.40 131.66 3a14 s VAL 112 Ca -0.04 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 3a14 s VAL 112 Cb -0.08 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.75 3a14 s VAL 112 CO -0.00 0.45 0.47 0.00 0.00 0.00 0.00 175.10 176.02 3a14 s LEU 114 N 2.26 4.46 -0.37 0.00 2.96 -0.47 -0.30 118.68 127.22 3a14 s LEU 114 Ca 0.15 -0.23 0.11 0.00 -0.22 0.00 0.00 54.13 53.94 3a14 s LEU 114 Cb -0.16 -2.68 0.44 0.00 0.50 0.00 0.00 46.19 44.29 3a14 s LEU 114 CO 0.14 -0.68 1.06 0.00 -1.32 0.00 0.00 176.35 175.55 3a14 n ALA 115 N 6.08 4.27 -3.72 5.97 0.00 -0.24 -0.62 120.51 132.24 3a14 n ALA 115 Ca -0.03 -3.72 -0.18 0.00 0.00 0.00 0.00 53.44 49.51 3a14 n ALA 115 Cb 0.48 -0.70 -0.17 0.00 0.00 0.00 0.00 19.45 19.07 3a14 n ALA 115 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3a14 s ASN 116 N -3.40 0.74 0.01 0.00 3.84 -1.17 -4.25 114.94 110.70 3a14 s ASN 116 Ca 0.39 0.01 -0.01 0.00 0.21 0.00 0.00 52.86 53.46 3a14 s ASN 116 Cb 0.42 -0.20 -0.26 0.00 -0.55 0.00 0.00 41.25 40.66 3a14 s ASN 116 CO -0.07 -0.17 0.89 0.11 -2.79 0.00 0.00 177.10 175.07 3a14 h LYS 117 N 7.78 0.20 -0.78 0.43 1.57 -1.91 -3.37 116.57 120.48 3a14 h LYS 117 Ca -0.31 -0.34 0.09 0.00 -1.87 0.00 0.00 60.65 58.22 3a14 h LYS 117 Cb 1.13 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 3a14 h LYS 117 CO 0.35 1.05 0.51 0.93 -0.57 0.00 0.00 179.45 181.71 3a14 h GLU 118 N 0.05 0.73 -0.82 3.15 3.07 -1.96 -1.97 114.58 116.84 3a14 h GLU 118 Ca -0.22 -0.04 0.10 0.00 -0.50 0.00 0.00 59.36 58.70 3a14 h GLU 118 Cb 1.99 -0.17 -0.07 0.00 -0.84 0.00 0.00 28.75 29.66 3a14 h GLU 118 CO 0.15 0.49 0.46 0.66 -1.40 0.00 0.00 179.01 179.36 3a14 h SER 119 N 0.76 0.64 0.30 1.42 4.64 -1.82 0.15 113.55 119.64 3a14 h SER 119 Ca 0.35 0.05 -0.33 0.00 -0.47 0.00 0.00 61.79 61.39 3a14 h SER 119 Cb 0.38 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3a14 h SER 119 CO -0.13 0.36 -1.68 -0.07 -0.87 0.00 0.00 176.83 174.44 3a14 h LEU 120 N 0.76 0.50 0.25 5.97 3.38 -1.62 -1.99 115.31 122.55 3a14 h LEU 120 Ca 0.40 -0.74 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3a14 h LEU 120 Cb 0.39 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3a14 h LEU 120 CO -0.26 1.63 -0.12 0.58 0.09 0.00 0.00 178.44 180.36 3a14 h VAL 121 N 0.09 0.76 0.16 1.22 2.07 -1.24 -1.75 116.25 117.56 3a14 h VAL 121 Ca -0.31 -0.07 -0.35 0.00 0.82 0.00 0.00 66.70 66.80 3a14 h VAL 121 Cb 2.06 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3a14 h VAL 121 CO 0.16 0.02 -1.78 0.00 0.02 0.00 0.00 177.57 175.99 3a14 n GLY 123 N 1.86 2.85 0.37 0.00 0.00 -0.80 -4.73 105.19 104.73 3a14 n GLY 123 Ca -0.25 -1.25 0.22 0.00 0.00 0.00 0.00 46.02 44.74 3a14 n GLY 123 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3a14 h GLY 124 N 1.53 1.71 1.36 -0.02 0.00 -0.73 -1.71 103.07 105.21 3a14 h GLY 124 Ca -0.08 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3a14 h GLY 124 CO 0.18 -0.28 0.08 0.27 0.00 0.00 0.00 176.54 176.79 3a14 h PHE 125 N 0.44 0.83 -0.30 5.60 -5.15 -1.89 -0.54 116.94 115.94 3a14 h PHE 125 Ca 0.66 -0.09 -0.11 0.00 -0.20 0.00 0.00 57.97 58.24 3a14 h PHE 125 Cb 1.49 -0.24 -0.01 0.00 0.22 0.00 0.00 35.95 37.42 3a14 h PHE 125 CO -0.01 0.73 -0.22 -0.07 -2.00 0.00 0.00 178.31 176.74 3a14 h LEU 126 N 0.76 0.72 -0.37 2.10 3.38 -1.71 -2.26 115.31 117.94 3a14 h LEU 126 Ca 0.16 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3a14 h LEU 126 Cb 0.35 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3a14 h LEU 126 CO 0.01 1.01 0.21 0.58 0.09 0.00 0.00 178.44 180.33 3a14 h VAL 127 N 0.44 1.14 -0.56 1.22 2.07 -1.21 -1.89 116.25 117.46 3a14 h VAL 127 Ca 0.06 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 3a14 h VAL 127 Cb 0.78 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3a14 h VAL 127 CO 0.06 0.14 0.07 0.11 0.02 0.00 0.00 177.57 177.97 3a14 h LYS 128 N 0.47 0.90 -0.21 1.57 1.79 -1.11 0.10 116.57 120.08 3a14 h LYS 128 Ca 0.13 -0.22 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 3a14 h LYS 128 Cb 0.04 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 3a14 h LYS 128 CO -0.02 0.85 0.06 -0.22 -1.08 0.00 0.00 179.45 179.04 3a14 h LYS 129 N 0.85 0.33 -0.79 3.15 3.64 -1.32 -1.37 116.57 121.05 3a14 h LYS 129 Ca 0.17 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3a14 h LYS 129 Cb 0.40 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 3a14 h LYS 129 CO 0.01 0.44 0.35 -0.22 -2.27 0.00 0.00 179.45 177.76 3a14 h LYS 130 N 0.16 1.16 -0.51 1.90 1.63 -1.09 -1.59 116.57 118.22 3a14 h LYS 130 Ca 0.07 -0.19 0.04 0.00 -0.85 0.00 0.00 60.65 59.71 3a14 h LYS 130 Cb 0.25 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 3a14 h LYS 130 CO -0.00 0.92 0.28 -0.07 -3.45 0.00 0.00 179.45 177.13 3a14 h LEU 131 N 1.14 0.42 -0.57 5.20 3.38 -0.63 -0.74 115.31 123.50 3a14 h LEU 131 Ca 0.27 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 3a14 h LEU 131 Cb 0.17 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3a14 h LEU 131 CO -0.03 0.29 -0.12 0.50 0.09 0.00 0.00 178.44 179.17 3a14 h LYS 132 N 0.54 1.02 -0.37 1.13 3.64 -1.00 0.60 116.57 122.13 3a14 h LYS 132 Ca 0.22 -0.38 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 3a14 h LYS 132 Cb 0.10 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3a14 h LYS 132 CO -0.14 1.07 -0.17 0.93 -2.27 0.00 0.00 179.45 178.87 3a14 h GLU 133 N 0.90 0.77 0.00 1.90 5.08 -1.02 -3.34 114.58 118.87 3a14 h GLU 133 Ca 0.14 -0.33 -0.30 0.00 -1.00 0.00 0.00 59.36 57.87 3a14 h GLU 133 Cb 0.69 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 3a14 h GLU 133 CO 0.05 0.94 -1.77 1.63 -1.00 0.00 0.00 179.01 178.86 3a14 n LYS 134 N -4.30 0.64 -0.94 2.33 4.76 -0.31 -4.98 118.16 115.36 3a14 n LYS 134 Ca -0.02 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 3a14 n LYS 134 Cb 0.40 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 3a14 n LYS 134 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a14 n GLY 135 N 1.58 0.57 3.63 0.72 0.00 0.20 -5.00 105.19 106.88 3a14 n GLY 135 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3a14 n GLY 135 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a14 n THR 136 N -2.39 2.29 -2.52 2.61 -1.04 -1.26 -4.94 114.28 107.03 3a14 n THR 136 Ca 0.00 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.10 3a14 n THR 136 Cb 0.06 -1.23 -0.04 0.00 -1.82 0.00 0.00 70.33 67.30 3a14 n THR 136 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3a14 s GLU 137 N -1.92 4.60 -0.10 -2.82 2.02 -0.76 -4.93 118.70 114.80 3a14 s GLU 137 Ca 0.61 1.71 0.01 0.00 0.02 0.00 0.00 54.97 57.32 3a14 s GLU 137 Cb -0.58 -3.27 0.02 0.00 0.10 0.00 0.00 34.13 30.39 3a14 s GLU 137 CO 0.58 0.10 -0.11 -1.17 0.02 0.00 0.00 175.26 174.68 3a14 s LEU 138 N -0.45 1.50 -0.11 1.80 0.20 -1.26 -0.08 118.68 120.28 3a14 s LEU 138 Ca 0.49 -0.35 0.02 0.00 0.69 0.00 0.00 54.13 54.98 3a14 s LEU 138 Cb -0.29 -0.92 0.01 0.00 -0.43 0.00 0.00 46.19 44.56 3a14 s LEU 138 CO 0.35 -0.03 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.58 3a14 s ILE 139 N 1.18 1.63 0.36 6.68 1.01 -0.29 -4.98 121.20 126.78 3a14 s ILE 139 Ca -0.04 -0.72 -0.27 0.00 0.00 0.00 0.00 60.65 59.62 3a14 s ILE 139 Cb -0.14 -1.47 -0.09 0.00 0.01 0.00 0.00 42.46 40.77 3a14 s ILE 139 CO -0.03 0.47 1.19 -2.16 0.00 0.00 0.00 174.94 174.40 3a14 s PRO 140 N 0.91 4.24 -0.04 2.79 0.04 -1.26 -1.37 135.00 140.30 3a14 s PRO 140 Ca -0.08 1.92 0.18 0.00 0.04 0.00 0.00 61.00 63.06 3a14 s PRO 140 Cb -0.15 -2.87 -0.21 0.00 0.04 0.00 0.00 34.50 31.31 3a14 s PRO 140 CO -0.01 -0.18 0.52 0.28 0.04 0.00 0.00 177.00 177.65 3a14 n VAL 141 N 0.46 1.05 -1.61 -0.36 0.31 0.20 -4.34 118.33 114.05 3a14 n VAL 141 Ca 0.02 -0.71 -0.46 0.00 -0.01 0.00 0.00 64.34 63.17 3a14 n VAL 141 Cb 0.45 -0.53 -0.03 0.00 -0.91 0.00 0.00 33.84 32.82 3a14 n VAL 141 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3a14 n ASP 142 N -2.74 1.75 -0.18 4.52 2.03 -1.26 -4.50 116.55 116.16 3a14 n ASP 142 Ca -0.16 1.15 -0.03 0.00 0.52 0.00 0.00 54.79 56.27 3a14 n ASP 142 Cb 0.90 -1.30 0.16 0.00 -0.72 0.00 0.00 41.12 40.16 3a14 n ASP 142 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3a14 h SER 143 N 3.20 0.88 -0.24 1.67 4.64 -1.96 0.62 113.55 122.36 3a14 h SER 143 Ca -0.43 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 60.66 3a14 h SER 143 Cb 1.32 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3a14 h SER 143 CO 0.69 0.81 -0.21 -0.33 -0.87 0.00 0.00 176.83 176.91 3a14 h GLU 144 N 0.93 0.57 -0.04 4.77 4.39 -1.89 -2.14 114.58 121.16 3a14 h GLU 144 Ca 0.21 -0.29 -0.14 0.00 0.34 0.00 0.00 59.36 59.48 3a14 h GLU 144 Cb 0.23 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3a14 h GLU 144 CO -0.01 0.88 -0.62 0.45 -1.16 0.00 0.00 179.01 178.54 3a14 h HIS 145 N 0.27 0.19 -0.16 4.33 3.86 -1.76 -1.61 115.15 120.27 3a14 h HIS 145 Ca 0.04 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3a14 h HIS 145 Cb 0.76 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 3a14 h HIS 145 CO 0.07 0.73 0.08 1.03 0.86 0.00 0.00 177.93 180.70 3a14 h SER 146 N 0.11 0.11 -0.13 2.45 0.87 -0.88 0.19 113.55 116.28 3a14 h SER 146 Ca -0.01 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3a14 h SER 146 Cb 1.12 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.03 3a14 h SER 146 CO 0.09 0.09 -0.08 0.00 -0.53 0.00 0.00 176.83 176.40 3a14 h ALA 147 N 1.08 0.03 -0.76 6.23 0.00 -1.23 -2.30 119.26 122.30 3a14 h ALA 147 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3a14 h ALA 147 Cb 0.01 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3a14 h ALA 147 CO -0.05 -0.53 0.45 0.82 0.00 0.00 0.00 179.25 179.95 3a14 h ILE 148 N -0.08 1.22 -0.97 0.00 5.03 -1.16 -2.36 117.51 119.20 3a14 h ILE 148 Ca 0.08 -0.49 0.13 0.00 -0.12 0.00 0.00 64.86 64.45 3a14 h ILE 148 Cb 0.19 0.16 -0.08 0.00 -3.03 0.00 0.00 36.82 34.07 3a14 h ILE 148 CO -0.18 0.23 0.61 0.15 -0.68 0.00 0.00 178.15 178.29 3a14 h PHE 149 N 1.05 1.04 0.00 1.37 3.57 -0.25 0.19 116.94 123.90 3a14 h PHE 149 Ca 0.27 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3a14 h PHE 149 Cb -0.02 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.38 3a14 h PHE 149 CO -0.01 0.40 -0.05 1.96 -2.23 0.00 0.00 178.31 178.38 3a14 h GLN 150 N 0.90 0.00 0.00 1.11 4.20 -0.88 -3.29 115.11 117.15 3a14 h GLN 150 Ca 0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.19 3a14 h GLN 150 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 3a14 h GLN 150 CO -0.25 0.05 0.00 1.33 -0.67 0.00 0.00 178.83 179.30 3a14 n VAL 151 N -3.13 0.00 -1.91 -0.54 0.24 -0.70 -5.07 118.33 107.21 3a14 n VAL 151 Ca 0.02 -0.48 -0.39 0.00 -2.04 0.00 0.00 64.34 61.45 3a14 n VAL 151 Cb 0.44 1.03 0.02 0.00 -1.47 0.00 0.00 33.84 33.85 3a14 n VAL 151 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 3a14 s MET 152 N -0.34 3.59 0.21 7.34 0.00 0.57 -4.93 119.30 125.75 3a14 s MET 152 Ca 0.00 2.22 -0.00 0.00 0.00 0.00 0.00 55.69 57.91 3a14 s MET 152 Cb 0.00 -2.53 -0.04 0.00 0.00 0.00 0.00 34.83 32.26 3a14 s MET 152 CO 0.00 -0.83 0.14 -1.83 0.00 0.00 0.00 175.02 172.50 3a14 s GLU 153 N -2.57 1.24 0.49 4.11 -1.05 -1.26 -5.04 118.70 114.62 3a14 s GLU 153 Ca 0.64 -1.66 0.22 0.00 -0.15 0.00 0.00 54.97 54.02 3a14 s GLU 153 Cb -0.40 0.26 1.28 0.00 -0.44 0.00 0.00 34.13 34.84 3a14 s GLU 153 CO 0.49 -0.40 2.05 -1.35 0.95 0.00 0.00 175.26 177.00 3a14 h PRO 154 N 2.59 0.00 -4.78 -4.83 0.11 -2.00 -3.39 132.00 119.70 3a14 h PRO 154 Ca -0.35 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.10 3a14 h PRO 154 Cb 1.25 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.99 3a14 h PRO 154 CO 0.52 0.14 -0.80 -1.83 -0.21 0.00 0.00 178.00 175.83 3a14 s GLU 155 N -4.43 2.11 0.07 1.05 1.03 -1.26 -5.10 118.70 112.18 3a14 s GLU 155 Ca -0.04 -1.31 0.05 0.00 0.03 0.00 0.00 54.97 53.71 3a14 s GLU 155 Cb 0.14 -2.85 -0.03 0.00 -0.80 0.00 0.00 34.13 30.59 3a14 s GLU 155 CO 0.63 -0.59 -0.14 0.14 -1.33 0.00 0.00 175.26 173.97 3a14 s VAL 156 N 1.14 1.11 -0.11 1.83 -7.23 -1.26 -4.54 120.40 111.34 3a14 s VAL 156 Ca -0.08 -1.31 -0.18 0.00 -1.81 0.00 0.00 61.98 58.60 3a14 s VAL 156 Cb -0.20 -1.08 -0.15 0.00 0.56 0.00 0.00 36.38 35.51 3a14 s VAL 156 CO -0.05 -0.23 0.53 -0.33 -0.31 0.00 0.00 175.10 174.70 3a14 h GLU 157 N 4.27 -0.04 -3.12 4.82 4.39 -0.58 -3.46 114.58 120.87 3a14 h GLU 157 Ca -0.41 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.16 3a14 h GLU 157 Cb 1.19 0.01 -0.21 0.00 -0.10 0.00 0.00 28.75 29.64 3a14 h GLU 157 CO 0.40 0.51 -0.34 0.15 -1.16 0.00 0.00 179.01 178.58 3a14 s LYS 158 N -2.22 0.56 -0.19 2.33 1.02 -0.93 -4.76 119.74 115.55 3a14 s LYS 158 Ca -0.11 -0.09 -0.05 0.00 0.02 0.00 0.00 55.97 55.74 3a14 s LYS 158 Cb -0.01 0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.52 3a14 s LYS 158 CO 0.42 -0.14 -0.01 0.08 -0.92 0.00 0.00 175.35 174.78 3a14 s VAL 159 N -0.98 3.94 -0.25 3.17 1.01 1.00 -0.41 120.40 127.87 3a14 s VAL 159 Ca -0.11 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 3a14 s VAL 159 Cb -0.05 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3a14 s VAL 159 CO 0.03 0.45 0.05 -0.69 0.00 0.00 0.00 175.10 174.94 3a14 s VAL 160 N 0.80 4.06 -0.07 2.92 1.01 0.39 -0.21 120.40 129.30 3a14 s VAL 160 Ca -0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3a14 s VAL 160 Cb -0.14 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3a14 s VAL 160 CO 0.02 0.31 0.18 -0.76 0.00 0.00 0.00 175.10 174.85 3a14 s LEU 161 N 1.57 4.39 0.23 3.92 1.43 -0.12 -1.50 118.68 128.59 3a14 s LEU 161 Ca 0.06 0.47 0.07 0.00 -1.03 0.00 0.00 54.13 53.70 3a14 s LEU 161 Cb -0.15 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 3a14 s LEU 161 CO 0.02 0.35 0.10 0.42 0.23 0.00 0.00 176.35 177.47 3a14 s THR 162 N -1.15 4.09 -0.02 5.49 -4.23 -1.26 -1.44 115.64 117.12 3a14 s THR 162 Ca 0.20 -1.47 -0.05 0.00 -1.18 0.00 0.00 61.69 59.19 3a14 s THR 162 Cb -0.13 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.56 3a14 s THR 162 CO 0.10 -0.27 0.11 0.00 -0.54 0.00 0.00 174.62 174.02 3a14 s ALA 163 N -2.04 -0.25 0.41 3.99 0.00 -0.02 -4.90 121.76 118.95 3a14 s ALA 163 Ca 0.31 0.01 0.13 0.00 0.00 0.00 0.00 51.96 52.41 3a14 s ALA 163 Cb -0.08 -0.02 0.85 0.00 0.00 0.00 0.00 23.12 23.86 3a14 s ALA 163 CO 0.22 -0.14 1.90 0.66 0.00 0.00 0.00 175.76 178.41 3a14 h SER 164 N 5.07 0.01 0.00 0.00 4.64 -1.88 0.34 113.55 121.72 3a14 h SER 164 Ca -0.28 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3a14 h SER 164 Cb 1.20 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3a14 h SER 164 CO 0.42 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 3a14 n GLY 165 N -0.72 0.94 0.23 -0.77 0.00 -1.26 -4.65 105.19 98.95 3a14 n GLY 165 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 3a14 n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a14 n GLY 166 N -2.00 -1.64 0.34 -0.02 0.00 -1.20 -3.70 105.19 96.97 3a14 n GLY 166 Ca 0.00 -1.46 0.18 0.00 0.00 0.00 0.00 46.02 44.74 3a14 n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a14 h ALA 167 N -0.21 1.45 -0.16 4.61 0.00 -1.85 -2.12 119.26 120.96 3a14 h ALA 167 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3a14 h ALA 167 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3a14 h ALA 167 CO 0.00 -0.25 -0.03 1.28 0.00 0.00 0.00 179.25 180.26 3a14 n LEU 168 N -3.28 3.31 0.32 0.00 4.77 -1.26 -4.68 117.00 116.18 3a14 n LEU 168 Ca -0.01 -3.15 0.20 0.00 -0.03 0.00 0.00 56.01 53.02 3a14 n LEU 168 Cb 0.29 -0.51 1.10 0.00 -2.33 0.00 0.00 43.42 41.98 3a14 n LEU 168 CO 0.20 0.77 1.17 0.08 -1.33 0.00 0.00 177.39 178.28 3a14 h ARG 169 N 1.04 0.00 0.00 3.23 0.11 -1.46 -2.18 114.38 115.12 3a14 h ARG 169 Ca 0.02 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.95 3a14 h ARG 169 Cb 1.29 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.34 3a14 h ARG 169 CO 0.15 0.00 -1.64 -0.25 0.10 0.00 0.00 179.97 178.33 3a14 n ASP 170 N -3.37 0.55 -4.69 0.08 8.00 -1.26 -4.98 116.55 110.88 3a14 n ASP 170 Ca -0.03 0.24 -0.34 0.00 0.71 0.00 0.00 54.79 55.36 3a14 n ASP 170 Cb 0.08 0.69 0.11 0.00 -0.02 0.00 0.00 41.12 41.98 3a14 n ASP 170 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3a14 n TRP 171 N -2.72 1.34 -2.17 1.24 7.02 -0.82 -5.00 117.44 116.33 3a14 n TRP 171 Ca -0.11 0.41 -0.37 0.00 -1.02 0.00 0.00 57.50 56.40 3a14 n TRP 171 Cb 0.81 -2.14 -0.00 0.00 -2.42 0.00 0.00 31.31 27.56 3a14 n TRP 171 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3a14 s LYS 172 N -3.87 3.69 0.22 -0.99 -0.14 -1.26 -4.95 119.74 112.44 3a14 s LYS 172 Ca 0.75 1.88 -0.08 0.00 -1.36 0.00 0.00 55.97 57.16 3a14 s LYS 172 Cb -0.32 -2.42 0.35 0.00 -1.68 0.00 0.00 37.83 33.77 3a14 s LYS 172 CO 0.48 -0.64 1.69 0.82 -0.76 0.00 0.00 175.35 176.94 3a14 h ILE 173 N 1.87 0.56 -0.10 2.17 5.03 -1.94 -2.00 117.51 123.09 3a14 h ILE 173 Ca -0.50 -0.08 -0.00 0.00 -0.12 0.00 0.00 64.86 64.16 3a14 h ILE 173 Cb 1.25 0.31 -0.01 0.00 -3.03 0.00 0.00 36.82 35.35 3a14 h ILE 173 CO 0.60 0.04 0.05 0.77 -0.68 0.00 0.00 178.15 178.93 3a14 h SER 174 N 0.23 0.12 1.27 1.72 4.64 -1.97 -2.89 113.55 116.67 3a14 h SER 174 Ca 0.35 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3a14 h SER 174 Cb 0.56 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3a14 h SER 174 CO -0.47 0.10 -0.73 0.11 -0.87 0.00 0.00 176.83 174.97 3a14 h LYS 175 N 0.14 0.00 -0.14 4.77 1.79 -1.75 -3.39 116.57 117.99 3a14 h LYS 175 Ca 0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 3a14 h LYS 175 Cb 0.01 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 3a14 h LYS 175 CO -0.01 0.01 0.05 0.82 -1.08 0.00 0.00 179.45 179.24 3a14 h ILE 176 N 0.00 1.16 -1.00 1.86 2.04 -1.28 -2.96 117.51 117.34 3a14 h ILE 176 Ca -0.00 -0.50 0.39 0.00 1.00 0.00 0.00 64.86 65.75 3a14 h ILE 176 Cb 1.01 1.23 -0.18 0.00 -0.74 0.00 0.00 36.82 38.14 3a14 h ILE 176 CO 0.00 0.15 0.47 -0.78 0.00 0.00 0.00 178.15 177.99 3a14 h ASP 177 N 0.06 0.22 0.11 1.72 3.58 -1.75 -0.74 116.42 119.62 3a14 h ASP 177 Ca 0.05 0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.76 3a14 h ASP 177 Cb 0.19 0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.53 3a14 h ASP 177 CO -0.00 -0.41 -0.19 0.54 -2.88 0.00 0.00 179.24 176.30 3a14 n ARG 178 N -5.28 1.25 -1.59 0.28 5.12 -1.12 -0.80 116.66 114.53 3a14 n ARG 178 Ca 0.36 -0.82 -0.37 0.00 -1.93 0.00 0.00 57.85 55.09 3a14 n ARG 178 Cb 1.20 -1.48 0.07 0.00 -1.16 0.00 0.00 32.46 31.08 3a14 n ARG 178 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3a14 n ALA 179 N -0.16 0.31 -2.49 7.54 0.00 -0.28 -4.69 120.51 120.74 3a14 n ALA 179 Ca 0.14 -0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.30 3a14 n ALA 179 Cb 0.39 -2.16 -0.07 0.00 0.00 0.00 0.00 19.45 17.61 3a14 n ALA 179 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3a14 s ARG 180 N -3.05 2.31 0.31 0.00 3.00 -1.26 -1.80 118.95 118.47 3a14 s ARG 180 Ca 0.78 -1.63 0.08 0.00 -1.00 0.00 0.00 55.73 53.95 3a14 s ARG 180 Cb -0.39 -2.11 0.87 0.00 0.00 0.00 0.00 34.95 33.32 3a14 s ARG 180 CO 0.46 0.06 1.69 -1.35 0.00 0.00 0.00 175.30 176.16 3a14 h PRO 181 N 1.54 0.41 -0.78 5.12 0.11 -1.94 -0.89 132.00 135.57 3a14 h PRO 181 Ca -0.43 -0.02 0.17 0.00 0.11 0.00 0.00 66.00 65.82 3a14 h PRO 181 Cb 1.25 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 3a14 h PRO 181 CO 0.65 0.27 0.52 0.93 -0.21 0.00 0.00 178.00 180.16 3a14 h GLU 182 N 0.42 0.36 0.00 1.05 5.08 -1.95 0.23 114.58 119.76 3a14 h GLU 182 Ca 0.63 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 3a14 h GLU 182 Cb 1.27 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3a14 h GLU 182 CO -0.55 0.24 -0.27 -0.25 -1.00 0.00 0.00 179.01 177.18 3a14 n ASP 183 N -4.47 0.40 -0.05 1.42 10.43 -0.35 -4.18 116.55 119.75 3a14 n ASP 183 Ca 0.15 0.21 -0.07 0.00 2.57 0.00 0.00 54.79 57.66 3a14 n ASP 183 Cb 0.59 -0.19 -0.06 0.00 1.84 0.00 0.00 41.12 43.30 3a14 n ASP 183 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3a14 n VAL 184 N -1.72 0.62 -2.74 2.53 0.31 -0.43 -4.78 118.33 112.11 3a14 n VAL 184 Ca 0.06 -0.28 -0.05 0.00 -0.01 0.00 0.00 64.34 64.05 3a14 n VAL 184 Cb 0.37 -0.85 0.02 0.00 -0.91 0.00 0.00 33.84 32.47 3a14 n VAL 184 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3a14 n LEU 185 N -2.67 0.00 -0.07 7.52 4.77 0.67 -4.74 117.00 122.48 3a14 n LEU 185 Ca -0.18 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 3a14 n LEU 185 Cb 0.73 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3a14 n LEU 185 CO 0.13 -0.58 0.00 0.00 -1.33 0.00 0.00 177.39 175.61 3a14 n ALA 194 N -2.89 -1.24 -0.02 -1.18 0.00 -1.26 -5.03 120.51 108.90 3a14 n ALA 194 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 3a14 n ALA 194 Cb 0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 3a14 n ALA 194 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3a14 h ARG 195 N 0.00 -0.00 -0.74 0.00 2.43 -1.99 -2.15 114.38 111.92 3a14 h ARG 195 Ca 0.00 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3a14 h ARG 195 Cb 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 3a14 h ARG 195 CO 0.00 -0.00 0.41 0.82 -1.51 0.00 0.00 179.97 179.69 3a14 h ILE 196 N -0.00 0.94 -0.33 1.20 2.04 -2.04 0.26 117.51 119.57 3a14 h ILE 196 Ca 0.07 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.70 3a14 h ILE 196 Cb 0.11 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 3a14 h ILE 196 CO -0.15 0.13 0.16 0.74 0.00 0.00 0.00 178.15 179.03 3a14 h THR 197 N 0.73 0.97 -0.35 -0.27 2.02 -1.91 -0.64 112.91 113.47 3a14 h THR 197 Ca 0.34 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.38 3a14 h THR 197 Cb 0.26 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3a14 h THR 197 CO -0.21 0.06 0.11 0.58 0.37 0.00 0.00 175.52 176.43 3a14 h VAL 198 N 0.33 1.21 -0.40 3.16 2.07 -0.45 -2.74 116.25 119.43 3a14 h VAL 198 Ca 0.14 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 67.06 3a14 h VAL 198 Cb 0.06 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3a14 h VAL 198 CO -0.10 0.23 0.27 0.44 0.02 0.00 0.00 177.57 178.42 3a14 h ASP 199 N 0.41 0.23 0.62 0.57 3.32 -0.34 -0.57 116.42 120.65 3a14 h ASP 199 Ca 0.11 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 3a14 h ASP 199 Cb 0.24 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3a14 h ASP 199 CO -0.00 0.15 -0.50 0.28 -1.72 0.00 0.00 179.24 177.44 3a14 h SER 200 N 0.26 0.00 0.54 6.45 0.02 -0.88 0.31 113.55 120.24 3a14 h SER 200 Ca 0.18 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.89 3a14 h SER 200 Cb 0.37 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 3a14 h SER 200 CO -0.03 0.50 -1.04 0.00 -1.14 0.00 0.00 176.83 175.12 3a14 h ALA 201 N 1.50 0.30 0.00 3.77 0.00 -0.84 -3.11 119.26 120.88 3a14 h ALA 201 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3a14 h ALA 201 Cb 0.95 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3a14 h ALA 201 CO 0.07 0.92 -0.63 1.79 0.00 0.00 0.00 179.25 181.40 3a14 h THR 202 N 0.13 0.00 -0.36 0.00 1.35 -1.39 -3.45 112.91 109.20 3a14 h THR 202 Ca -0.09 -0.51 -0.15 0.00 -0.55 0.00 0.00 66.41 65.11 3a14 h THR 202 Cb 1.71 1.09 -0.06 0.00 -1.73 0.00 0.00 68.15 69.16 3a14 h THR 202 CO 0.17 0.00 -0.14 0.23 -0.25 0.00 0.00 175.52 175.53 3a14 n MET 203 N -2.13 -1.03 -0.20 4.72 2.81 -0.00 -4.02 117.12 117.27 3a14 n MET 203 Ca 0.03 0.68 -0.00 0.00 -1.81 0.00 0.00 57.70 56.60 3a14 n MET 203 Cb 0.44 -4.67 0.23 0.00 -0.71 0.00 0.00 33.22 28.52 3a14 n MET 203 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3a14 h VAL 204 N 0.00 1.20 -0.98 2.03 2.07 -1.61 -1.49 116.25 117.47 3a14 h VAL 204 Ca -0.15 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 66.95 3a14 h VAL 204 Cb 0.74 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 3a14 h VAL 204 CO 0.22 0.21 0.64 -1.13 0.02 0.00 0.00 177.57 177.53 3a14 h ASN 205 N 0.99 1.13 0.04 0.57 -1.24 -1.67 -0.58 115.58 114.82 3a14 h ASN 205 Ca 0.26 -0.04 -0.10 0.00 0.71 0.00 0.00 56.30 57.14 3a14 h ASN 205 Cb -0.05 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.70 3a14 h ASN 205 CO -0.05 0.83 -0.30 0.50 -1.29 0.00 0.00 177.43 177.12 3a14 h LYS 206 N 1.33 0.39 -0.63 6.67 1.63 -1.69 -1.62 116.57 122.64 3a14 h LYS 206 Ca 0.36 -0.16 -0.04 0.00 -0.85 0.00 0.00 60.65 59.95 3a14 h LYS 206 Cb -0.14 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 3a14 h LYS 206 CO -0.08 0.66 0.22 0.00 -3.45 0.00 0.00 179.45 176.81 3a14 h ALA 207 N 1.34 0.83 -0.66 5.00 0.00 -0.49 -1.70 119.26 123.58 3a14 h ALA 207 Ca 0.05 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3a14 h ALA 207 Cb 0.71 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3a14 h ALA 207 CO 0.05 0.48 0.39 0.74 0.00 0.00 0.00 179.25 180.91 3a14 h PHE 208 N 0.90 0.73 -0.34 0.00 0.04 -0.84 -2.75 116.94 114.68 3a14 h PHE 208 Ca 0.21 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.92 3a14 h PHE 208 Cb 0.26 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 3a14 h PHE 208 CO 0.02 0.39 -0.14 0.93 -0.60 0.00 0.00 178.31 178.91 3a14 h GLU 209 N 0.75 0.59 -0.02 1.51 5.08 -0.90 0.75 114.58 122.34 3a14 h GLU 209 Ca 0.28 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3a14 h GLU 209 Cb 0.09 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3a14 h GLU 209 CO -0.14 0.71 0.01 0.28 -1.00 0.00 0.00 179.01 178.88 3a14 h VAL 210 N 0.54 1.01 -0.50 3.13 2.07 -1.20 0.70 116.25 122.00 3a14 h VAL 210 Ca 0.09 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 3a14 h VAL 210 Cb 0.55 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3a14 h VAL 210 CO 0.03 0.01 0.27 -0.07 0.02 0.00 0.00 177.57 177.84 3a14 h LEU 211 N 0.01 0.63 -0.77 2.57 3.38 -1.15 -1.54 115.31 118.44 3a14 h LEU 211 Ca 0.01 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3a14 h LEU 211 Cb 0.01 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3a14 h LEU 211 CO -0.00 0.54 0.49 -0.33 0.09 0.00 0.00 178.44 179.23 3a14 h GLU 212 N 0.67 0.93 -0.31 1.13 5.08 -0.74 -2.28 114.58 119.07 3a14 h GLU 212 Ca 0.18 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3a14 h GLU 212 Cb 0.05 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3a14 h GLU 212 CO -0.03 0.61 -0.03 0.00 -1.00 0.00 0.00 179.01 178.57 3a14 h ALA 213 N 1.33 1.38 -0.42 3.43 0.00 -0.51 0.19 119.26 124.66 3a14 h ALA 213 Ca 0.31 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3a14 h ALA 213 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3a14 h ALA 213 CO -0.11 0.43 0.13 0.52 0.00 0.00 0.00 179.25 180.21 3a14 h MET 214 N 0.46 0.66 -0.03 0.00 2.86 -0.95 -1.25 114.93 116.68 3a14 h MET 214 Ca 0.10 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3a14 h MET 214 Cb 0.35 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 3a14 h MET 214 CO 0.01 0.65 -0.00 0.93 1.06 0.00 0.00 176.91 179.56 3a14 h GLU 215 N 0.54 0.05 -0.49 1.72 4.39 -0.97 -1.68 114.58 118.14 3a14 h GLU 215 Ca 0.14 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 3a14 h GLU 215 Cb 0.27 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 3a14 h GLU 215 CO -0.00 0.39 0.11 -0.07 -1.16 0.00 0.00 179.01 178.28 3a14 h LEU 216 N -0.29 0.75 -2.88 1.33 3.38 -0.62 -3.32 115.31 113.66 3a14 h LEU 216 Ca 0.01 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3a14 h LEU 216 Cb 0.37 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3a14 h LEU 216 CO 0.00 0.79 0.00 0.49 0.09 0.00 0.00 178.44 179.81 3a14 n PHE 217 N -4.46 0.37 -3.77 1.13 3.72 -0.48 -4.98 117.46 108.99 3a14 n PHE 217 Ca 0.01 -0.49 -0.27 0.00 -0.05 0.00 0.00 57.45 56.65 3a14 n PHE 217 Cb 0.23 -0.03 0.05 0.00 -0.94 0.00 0.00 39.48 38.78 3a14 n PHE 217 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3a14 n GLU 218 N 0.33 -6.37 -3.53 -1.08 -0.58 -0.66 -4.95 120.64 103.80 3a14 n GLU 218 Ca 0.09 0.69 -0.37 0.00 -0.42 0.00 0.00 57.16 57.15 3a14 n GLU 218 Cb 0.39 -5.62 -0.06 0.00 -0.57 0.00 0.00 31.44 25.58 3a14 n GLU 218 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3a14 s LEU 219 N -7.21 4.34 0.60 -4.62 1.43 -1.01 -5.05 118.68 107.16 3a14 s LEU 219 Ca 0.55 0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 54.16 3a14 s LEU 219 Cb -0.27 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 3a14 s LEU 219 CO 0.79 0.19 1.22 -2.84 0.23 0.00 0.00 176.35 175.94 3a14 s PRO 220 N -0.17 2.93 0.36 1.29 0.02 -1.26 -4.57 135.00 133.59 3a14 s PRO 220 Ca 0.20 1.85 0.13 0.00 0.02 0.00 0.00 61.00 63.19 3a14 s PRO 220 Cb -0.14 -1.92 0.94 0.00 0.02 0.00 0.00 34.50 33.39 3a14 s PRO 220 CO 0.08 -1.25 1.79 0.35 -0.33 0.00 0.00 177.00 177.64 3a14 h PHE 221 N 0.84 0.82 0.00 6.54 3.57 -1.97 -1.72 116.94 125.02 3a14 h PHE 221 Ca -0.50 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.02 3a14 h PHE 221 Cb 1.30 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3a14 h PHE 221 CO 0.46 0.15 0.00 0.93 -2.23 0.00 0.00 178.31 177.63 3a14 h GLU 222 N 0.56 0.00 -0.01 1.11 3.07 -2.01 -2.65 114.58 114.65 3a14 h GLU 222 Ca 0.56 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 3a14 h GLU 222 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3a14 h GLU 222 CO -0.31 0.00 -0.12 1.63 -1.40 0.00 0.00 179.01 178.81 3a14 n LYS 223 N -2.99 1.29 -3.82 2.33 5.02 -0.65 -4.86 118.16 114.49 3a14 n LYS 223 Ca -0.00 -0.76 -0.36 0.00 -2.02 0.00 0.00 58.31 55.16 3a14 n LYS 223 Cb 0.23 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 3a14 n LYS 223 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3a14 s ILE 224 N -2.23 5.45 -0.04 -0.18 1.09 -1.00 -0.00 121.20 124.28 3a14 s ILE 224 Ca 0.31 0.20 0.04 0.00 -1.10 0.00 0.00 60.65 60.10 3a14 s ILE 224 Cb 0.20 -3.42 -0.00 0.00 -1.06 0.00 0.00 42.46 38.18 3a14 s ILE 224 CO 0.42 0.55 -0.16 -1.61 -0.10 0.00 0.00 174.94 174.03 3a14 s GLU 225 N -0.45 1.72 -0.13 2.79 2.02 0.71 -4.92 118.70 120.43 3a14 s GLU 225 Ca 0.12 -0.58 -0.01 0.00 0.02 0.00 0.00 54.97 54.52 3a14 s GLU 225 Cb -0.12 -1.50 -0.02 0.00 0.10 0.00 0.00 34.13 32.60 3a14 s GLU 225 CO 0.02 0.23 -0.10 0.08 0.02 0.00 0.00 175.26 175.50 3a14 s VAL 226 N 0.07 3.33 -0.04 2.63 1.01 -1.26 -0.94 120.40 125.20 3a14 s VAL 226 Ca -0.04 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.43 3a14 s VAL 226 Cb -0.11 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 3a14 s VAL 226 CO 0.02 0.52 -0.22 -0.54 0.00 0.00 0.00 175.10 174.88 3a14 s LYS 227 N 0.26 2.05 0.06 2.72 -0.14 -0.52 -4.46 119.74 119.71 3a14 s LYS 227 Ca -0.07 -0.80 -0.31 0.00 -1.36 0.00 0.00 55.97 53.43 3a14 s LYS 227 Cb -0.15 -1.85 -0.06 0.00 -1.68 0.00 0.00 37.83 34.09 3a14 s LYS 227 CO 0.05 0.40 1.23 0.42 -0.76 0.00 0.00 175.35 176.69 3a14 s ILE 228 N -0.30 3.92 -0.39 2.17 1.01 0.57 -0.84 121.20 127.35 3a14 s ILE 228 Ca 0.02 1.38 0.01 0.00 0.00 0.00 0.00 60.65 62.06 3a14 s ILE 228 Cb -0.11 -3.88 0.13 0.00 0.01 0.00 0.00 42.46 38.61 3a14 s ILE 228 CO 0.01 0.10 0.20 -2.28 0.00 0.00 0.00 174.94 172.97 3a14 s HIS 229 N 1.13 1.60 0.23 3.97 2.46 0.12 -2.00 115.29 122.80 3a14 s HIS 229 Ca 0.60 -2.05 -0.10 0.00 0.47 0.00 0.00 55.06 53.98 3a14 s HIS 229 Cb -0.30 -1.61 0.33 0.00 -0.13 0.00 0.00 32.58 30.87 3a14 s HIS 229 CO 0.29 -0.82 1.64 -0.09 -2.47 0.00 0.00 174.74 173.29 3a14 h ARG 230 N 7.16 0.08 0.00 2.88 9.65 -1.79 -2.92 114.38 129.44 3a14 h ARG 230 Ca -0.03 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 3a14 h ARG 230 Cb 0.96 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.52 3a14 h ARG 230 CO 0.43 0.05 -0.04 0.93 2.80 0.00 0.00 179.97 184.14 3a14 h GLU 231 N 0.08 0.00 -0.44 0.20 3.07 -1.86 -3.48 114.58 112.15 3a14 h GLU 231 Ca 0.35 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 59.04 3a14 h GLU 231 Cb 0.58 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.43 3a14 h GLU 231 CO -0.62 0.04 -0.16 0.41 -1.40 0.00 0.00 179.01 177.29 3a14 n GLY 232 N -0.05 0.97 0.13 -3.84 0.00 -1.10 -4.93 105.19 96.36 3a14 n GLY 232 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 3a14 n GLY 232 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a14 n LEU 233 N -0.96 2.25 -4.64 0.99 4.77 -1.26 -4.51 117.00 113.64 3a14 n LEU 233 Ca -0.08 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 3a14 n LEU 233 Cb 0.29 -0.89 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 3a14 n LEU 233 CO 0.13 0.65 0.77 -0.69 -1.33 0.00 0.00 177.39 176.91 3a14 s VAL 234 N -2.49 4.74 -1.26 4.08 1.01 -1.26 -2.02 120.40 123.19 3a14 s VAL 234 Ca -0.35 1.70 0.21 0.00 0.00 0.00 0.00 61.98 63.54 3a14 s VAL 234 Cb 0.11 -4.22 -0.18 0.00 0.00 0.00 0.00 36.38 32.10 3a14 s VAL 234 CO 0.55 -0.18 0.95 1.41 0.00 0.00 0.00 175.10 177.83 3a14 n HIS 235 N 6.23 0.00 0.00 5.22 8.25 0.00 -4.69 115.22 130.24 3a14 n HIS 235 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3a14 n HIS 235 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3a14 n HIS 235 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a14 n GLY 236 N 1.48 1.51 3.16 -1.41 0.00 -1.24 -4.19 105.19 104.51 3a14 n GLY 236 Ca 0.05 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 3a14 n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a14 s ALA 237 N -2.00 -0.34 -0.13 4.61 0.00 -0.56 -1.15 121.76 122.18 3a14 s ALA 237 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.71 3a14 s ALA 237 Cb 0.00 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.38 3a14 s ALA 237 CO 0.00 -0.33 -0.12 0.08 0.00 0.00 0.00 175.76 175.40 3a14 s VAL 238 N -2.31 1.33 -0.25 0.00 1.01 -0.08 -0.47 120.40 119.63 3a14 s VAL 238 Ca -0.07 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 3a14 s VAL 238 Cb -0.02 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 3a14 s VAL 238 CO -0.03 0.42 0.26 -0.69 0.00 0.00 0.00 175.10 175.06 3a14 s VAL 239 N 1.51 5.27 0.25 2.92 1.01 0.45 -1.61 120.40 130.20 3a14 s VAL 239 Ca 0.03 0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.44 3a14 s VAL 239 Cb -0.13 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3a14 s VAL 239 CO -0.08 0.26 0.25 -0.76 0.00 0.00 0.00 175.10 174.76 3a14 s LEU 240 N 1.55 3.94 0.58 3.92 1.43 -0.74 0.12 118.68 129.48 3a14 s LEU 240 Ca 0.11 -0.18 0.28 0.00 -1.03 0.00 0.00 54.13 53.31 3a14 s LEU 240 Cb -0.15 -2.48 1.64 0.00 0.03 0.00 0.00 46.19 45.23 3a14 s LEU 240 CO 0.08 -0.07 2.13 -0.65 0.23 0.00 0.00 176.35 178.07 3a14 h PRO 241 N 1.39 0.00 -0.01 1.29 0.11 -1.87 -3.11 132.00 129.80 3a14 h PRO 241 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3a14 h PRO 241 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3a14 h PRO 241 CO 0.61 0.00 -0.24 -0.40 -0.21 0.00 0.00 178.00 177.76 3a14 n ASP 242 N -3.90 1.15 0.00 -2.05 5.68 -1.26 -4.93 116.55 111.24 3a14 n ASP 242 Ca 0.01 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.30 3a14 n ASP 242 Cb 0.28 0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 3a14 n ASP 242 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a14 n GLY 243 N 1.33 2.90 3.77 6.12 0.00 -1.18 -5.09 105.19 113.05 3a14 n GLY 243 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3a14 n GLY 243 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a14 s ASN 244 N -1.46 6.43 -0.08 1.61 0.02 -1.26 -4.90 114.94 115.30 3a14 s ASN 244 Ca 0.00 2.22 0.00 0.00 -1.02 0.00 0.00 52.86 54.07 3a14 s ASN 244 Cb 0.00 -2.60 0.02 0.00 0.02 0.00 0.00 41.25 38.69 3a14 s ASN 244 CO 0.00 -0.73 -0.06 -0.69 0.02 0.00 0.00 177.10 175.64 3a14 s VAL 245 N -1.56 0.80 -0.26 1.60 1.01 -1.26 -1.78 120.40 118.94 3a14 s VAL 245 Ca 0.60 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 3a14 s VAL 245 Cb -0.27 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 3a14 s VAL 245 CO 0.33 0.31 0.15 -0.54 0.00 0.00 0.00 175.10 175.35 3a14 s LYS 246 N 1.37 3.92 0.13 2.72 1.02 -0.64 -4.96 119.74 123.29 3a14 s LYS 246 Ca -0.03 -0.34 0.11 0.00 0.02 0.00 0.00 55.97 55.73 3a14 s LYS 246 Cb -0.14 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 3a14 s LYS 246 CO -0.03 -0.11 -0.26 -1.64 -0.92 0.00 0.00 175.35 172.39 3a14 s MET 247 N 1.50 1.43 -0.17 1.68 -1.94 -1.26 -0.91 119.30 119.63 3a14 s MET 247 Ca 0.07 -1.34 -0.01 0.00 -1.71 0.00 0.00 55.69 52.69 3a14 s MET 247 Cb -0.15 -1.91 -0.00 0.00 2.01 0.00 0.00 34.83 34.78 3a14 s MET 247 CO 0.08 0.45 -0.13 0.08 -0.01 0.00 0.00 175.02 175.49 3a14 s VAL 248 N -1.08 2.81 -0.01 -6.03 1.01 -0.30 -5.01 120.40 111.78 3a14 s VAL 248 Ca 0.14 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.46 3a14 s VAL 248 Cb -0.10 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3a14 s VAL 248 CO 0.06 0.49 -0.14 -0.69 0.00 0.00 0.00 175.10 174.83 3a14 s VAL 249 N 1.03 3.09 0.20 2.92 1.01 -1.26 -0.82 120.40 126.58 3a14 s VAL 249 Ca -0.01 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 60.88 3a14 s VAL 249 Cb -0.15 -2.26 0.05 0.00 0.00 0.00 0.00 36.38 34.02 3a14 s VAL 249 CO -0.03 0.48 0.78 -0.94 0.00 0.00 0.00 175.10 175.40 3a14 s SER 250 N -1.06 -0.29 0.74 3.32 1.04 -0.86 -4.97 113.70 111.62 3a14 s SER 250 Ca 0.13 -0.40 -0.15 0.00 0.48 0.00 0.00 55.95 56.02 3a14 s SER 250 Cb -0.11 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.67 3a14 s SER 250 CO 0.03 -1.10 1.20 -2.84 0.98 0.00 0.00 173.24 171.51 3a14 s PRO 251 N -3.64 2.09 -1.27 4.02 0.02 -1.26 -4.65 135.00 130.31 3a14 s PRO 251 Ca 0.09 1.73 -0.13 0.00 0.02 0.00 0.00 61.00 62.71 3a14 s PRO 251 Cb -0.03 -1.83 0.14 0.00 0.02 0.00 0.00 34.50 32.80 3a14 s PRO 251 CO 0.01 -1.86 1.69 -0.35 -0.33 0.00 0.00 177.00 176.16 3a14 n PRO 252 N -2.81 3.37 -3.70 5.54 -0.04 -1.26 -4.87 135.00 131.22 3a14 n PRO 252 Ca 0.13 -3.54 -0.23 0.00 -0.04 0.00 0.00 63.50 59.83 3a14 n PRO 252 Cb 0.50 -3.11 -0.18 0.00 -0.04 0.00 0.00 33.50 30.68 3a14 n PRO 252 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3a14 s ASP 253 N 2.52 1.65 0.31 3.54 -1.08 -1.26 -5.03 116.67 117.31 3a14 s ASP 253 Ca 0.44 -0.17 0.23 0.00 -0.52 0.00 0.00 52.55 52.54 3a14 s ASP 253 Cb 0.04 -0.31 1.12 0.00 -1.46 0.00 0.00 42.92 42.31 3a14 s ASP 253 CO 0.01 -0.25 1.71 0.24 0.52 0.00 0.00 175.17 177.40 3a14 h MET 254 N 8.38 0.00 0.00 4.34 2.86 -1.99 -2.29 114.93 126.23 3a14 h MET 254 Ca -0.16 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3a14 h MET 254 Cb 1.13 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 3a14 h MET 254 CO 0.23 0.00 -0.09 0.00 1.06 0.00 0.00 176.91 178.11 3a14 h ARG 255 N 0.00 0.00 0.48 1.72 3.08 -1.96 -1.96 114.38 115.74 3a14 h ARG 255 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3a14 h ARG 255 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3a14 h ARG 255 CO 0.00 0.09 -0.23 0.82 -1.07 0.00 0.00 179.97 179.58 3a14 h ILE 256 N 0.00 0.00 0.00 2.04 1.08 -1.80 -0.38 117.51 118.46 3a14 h ILE 256 Ca -0.00 -0.09 -0.04 0.00 -0.39 0.00 0.00 64.86 64.34 3a14 h ILE 256 Cb 0.24 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.98 3a14 h ILE 256 CO 0.01 0.00 -0.19 1.55 -0.69 0.00 0.00 178.15 178.84 3a14 h PRO 257 N -0.74 0.00 0.08 2.37 0.13 -1.74 -1.54 132.00 130.56 3a14 h PRO 257 Ca -0.07 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3a14 h PRO 257 Cb 0.49 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 3a14 h PRO 257 CO 0.11 0.19 -0.09 0.82 -0.23 0.00 0.00 178.00 178.80 3a14 h ILE 258 N 0.00 0.79 -0.80 -3.56 2.04 -1.38 -1.89 117.51 112.71 3a14 h ILE 258 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3a14 h ILE 258 Cb 0.37 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3a14 h ILE 258 CO 0.02 0.00 0.49 0.77 0.00 0.00 0.00 178.15 179.43 3a14 h SER 259 N -0.19 0.95 -0.22 1.72 4.64 -0.64 -1.05 113.55 118.76 3a14 h SER 259 Ca 0.01 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 3a14 h SER 259 Cb 0.19 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 3a14 h SER 259 CO -0.04 0.73 -0.01 0.22 -0.87 0.00 0.00 176.83 176.86 3a14 h TYR 260 N 1.10 0.44 -0.41 4.77 3.20 -1.17 -1.23 116.97 123.67 3a14 h TYR 260 Ca 0.29 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 3a14 h TYR 260 Cb -0.05 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3a14 h TYR 260 CO 0.00 0.59 -0.23 0.00 -1.64 0.00 0.00 178.16 176.88 3a14 h ALA 261 N 0.79 0.81 -0.45 1.82 0.00 -1.08 -0.93 119.26 120.22 3a14 h ALA 261 Ca 0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3a14 h ALA 261 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3a14 h ALA 261 CO 0.01 0.65 0.18 -0.07 0.00 0.00 0.00 179.25 180.02 3a14 h LEU 262 N 0.72 0.61 -1.19 0.00 3.38 -1.11 -3.35 115.31 114.37 3a14 h LEU 262 Ca 0.10 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3a14 h LEU 262 Cb 0.77 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3a14 h LEU 262 CO 0.06 0.61 -0.17 0.49 0.09 0.00 0.00 178.44 179.52 3a14 n PHE 263 N -4.61 0.00 -1.55 1.13 3.72 -0.47 -5.00 117.46 110.68 3a14 n PHE 263 Ca 0.01 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.95 3a14 n PHE 263 Cb 0.15 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 3a14 n PHE 263 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3a14 n TYR 264 N 0.30 0.86 1.55 1.38 4.19 -0.36 -0.60 117.16 124.48 3a14 n TYR 264 Ca 0.07 0.76 0.04 0.00 3.31 0.00 0.00 57.90 62.09 3a14 n TYR 264 Cb 0.34 -2.18 0.16 0.00 0.49 0.00 0.00 39.34 38.15 3a14 n TYR 264 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3a14 n PRO 265 N 0.78 1.34 -2.64 2.98 -0.04 -1.26 -5.06 135.00 131.10 3a14 n PRO 265 Ca 0.11 -0.53 -0.32 0.00 -0.04 0.00 0.00 63.50 62.72 3a14 n PRO 265 Cb 0.31 -1.17 -0.05 0.00 -0.04 0.00 0.00 33.50 32.54 3a14 n PRO 265 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3a14 s ARG 266 N -1.82 4.07 -0.24 0.54 1.81 0.23 -5.06 118.95 118.48 3a14 s ARG 266 Ca 0.15 1.00 -0.10 0.00 -1.72 0.00 0.00 55.73 55.06 3a14 s ARG 266 Cb 0.08 -2.18 -0.05 0.00 -0.45 0.00 0.00 34.95 32.35 3a14 s ARG 266 CO 0.11 -0.13 0.15 1.03 -0.68 0.00 0.00 175.30 175.78 3a14 s ARG 267 N -3.61 4.02 0.25 3.54 1.81 -1.26 -4.73 118.95 118.96 3a14 s ARG 267 Ca 0.60 -0.30 -0.30 0.00 -1.72 0.00 0.00 55.73 54.01 3a14 s ARG 267 Cb -0.10 -3.52 -0.09 0.00 -0.45 0.00 0.00 34.95 30.80 3a14 s ARG 267 CO 0.22 0.02 1.09 0.08 -0.68 0.00 0.00 175.30 176.04 3a14 s VAL 268 N 1.15 3.64 -0.61 3.52 1.01 -1.26 -4.99 120.40 122.86 3a14 s VAL 268 Ca 0.07 1.57 -0.26 0.00 0.00 0.00 0.00 61.98 63.36 3a14 s VAL 268 Cb -0.14 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.28 3a14 s VAL 268 CO 0.05 0.34 1.12 0.00 0.00 0.00 0.00 175.10 176.61 3a14 s ALA 269 N -0.88 3.00 0.00 5.51 0.00 -1.26 -4.90 121.76 123.24 3a14 s ALA 269 Ca 0.46 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3a14 s ALA 269 Cb -0.31 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 18.83 3a14 s ALA 269 CO 0.38 -2.71 0.00 1.28 0.00 0.00 0.00 175.76 174.71 3a14 n LEU 270 N 8.28 0.00 -3.97 0.00 4.77 -1.26 -5.02 117.00 119.81 3a14 n LEU 270 Ca 0.05 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.73 3a14 n LEU 270 Cb 0.48 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.41 3a14 n LEU 270 CO 0.69 0.00 -0.46 -1.61 -1.33 0.00 0.00 177.39 174.68 3a14 s GLU 271 N 2.09 1.93 0.54 3.23 0.41 -1.26 -5.13 118.70 120.51 3a14 s GLU 271 Ca 0.00 -0.61 -0.21 0.00 -0.41 0.00 0.00 54.97 53.74 3a14 s GLU 271 Cb 0.00 -2.13 -0.05 0.00 -1.78 0.00 0.00 34.13 30.17 3a14 s GLU 271 CO 0.00 -0.35 1.27 -2.14 -0.49 0.00 0.00 175.26 173.55 3a14 s PRO 272 N 1.51 3.23 -1.10 0.39 0.02 -1.26 -4.95 135.00 132.84 3a14 s PRO 272 Ca 0.02 2.02 -0.14 0.00 0.02 0.00 0.00 61.00 62.92 3a14 s PRO 272 Cb -0.14 -2.20 0.18 0.00 0.02 0.00 0.00 34.50 32.36 3a14 s PRO 272 CO -0.09 -1.05 1.27 0.12 -0.33 0.00 0.00 177.00 176.91 3a14 s PHE 273 N -1.43 3.57 0.26 6.54 5.36 -1.26 -5.03 117.98 125.99 3a14 s PHE 273 Ca 0.71 -2.07 -0.29 0.00 -0.96 0.00 0.00 56.93 54.32 3a14 s PHE 273 Cb -0.35 -4.19 -0.09 0.00 -0.34 0.00 0.00 43.02 38.05 3a14 s PHE 273 CO 0.41 -1.31 1.23 -0.06 -1.46 0.00 0.00 175.22 174.02 3a14 s PHE 274 N 1.22 3.32 0.28 10.12 0.40 -1.26 -4.93 117.98 127.12 3a14 s PHE 274 Ca 0.37 1.46 -0.30 0.00 -0.60 0.00 0.00 56.93 57.86 3a14 s PHE 274 Cb -0.05 -3.50 -0.10 0.00 0.51 0.00 0.00 43.02 39.88 3a14 s PHE 274 CO -0.04 -1.36 1.41 -0.51 0.70 0.00 0.00 175.22 175.42 3a14 s LEU 275 N -1.05 4.39 0.21 -0.37 1.02 -1.26 -5.04 118.68 116.57 3a14 s LEU 275 Ca 0.50 2.70 -0.08 0.00 0.02 0.00 0.00 54.13 57.27 3a14 s LEU 275 Cb -0.35 -3.63 -0.02 0.00 0.02 0.00 0.00 46.19 42.21 3a14 s LEU 275 CO 0.43 -0.68 0.30 0.00 0.02 0.00 0.00 176.35 176.43 3a14 s ARG 276 N -0.82 1.32 0.36 1.70 3.03 -1.26 -5.14 118.95 118.14 3a14 s ARG 276 Ca 0.56 -1.35 -0.28 0.00 2.03 0.00 0.00 55.73 56.69 3a14 s ARG 276 Cb -0.42 0.38 -0.11 0.00 -1.03 0.00 0.00 34.95 33.77 3a14 s ARG 276 CO 0.47 -0.49 1.48 2.41 -1.13 0.00 0.00 175.30 178.03 3a14 n THR 277 N -0.29 1.89 -3.84 4.99 -1.04 -1.26 -5.00 114.28 109.72 3a14 n THR 277 Ca -0.02 -0.47 -0.11 0.00 -2.04 0.00 0.00 64.05 61.41 3a14 n THR 277 Cb 0.63 -1.93 -0.09 0.00 -1.82 0.00 0.00 70.33 67.13 3a14 n THR 277 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3a14 s ILE 278 N -0.99 0.10 -0.20 12.58 -4.36 -1.26 -5.15 121.20 121.93 3a14 s ILE 278 Ca 0.55 -0.85 -0.07 0.00 -0.26 0.00 0.00 60.65 60.02 3a14 s ILE 278 Cb -0.49 -0.85 -0.03 0.00 1.25 0.00 0.00 42.46 42.33 3a14 s ILE 278 CO 0.62 -0.47 0.05 -0.44 0.24 0.00 0.00 174.94 174.94 3a14 s SER 279 N -1.98 5.32 -0.39 4.36 0.01 -1.26 -5.07 113.70 114.69 3a14 s SER 279 Ca -0.06 -0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.16 3a14 s SER 279 Cb -0.02 -1.92 0.11 0.00 0.21 0.00 0.00 66.02 64.40 3a14 s SER 279 CO -0.03 0.10 0.15 -0.76 0.41 0.00 0.00 173.24 173.11 3a14 s LEU 280 N 0.82 3.40 -0.11 2.44 1.43 -1.26 -4.78 118.68 120.63 3a14 s LEU 280 Ca 0.03 -2.27 -0.08 0.00 -1.03 0.00 0.00 54.13 50.78 3a14 s LEU 280 Cb -0.14 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3a14 s LEU 280 CO 0.02 -0.34 0.17 -0.94 0.23 0.00 0.00 176.35 175.50 3a14 s SER 281 N 0.77 6.44 -0.17 2.29 1.04 -1.26 -5.09 113.70 117.72 3a14 s SER 281 Ca 0.13 0.52 -0.03 0.00 0.48 0.00 0.00 55.95 57.06 3a14 s SER 281 Cb -0.21 -2.09 0.05 0.00 0.10 0.00 0.00 66.02 63.87 3a14 s SER 281 CO -0.09 0.39 0.03 -0.36 0.98 0.00 0.00 173.24 174.18 3a14 s PHE 282 N -0.98 0.97 0.07 5.02 0.08 -1.26 -4.10 117.98 117.78 3a14 s PHE 282 Ca 0.16 -0.73 0.06 0.00 0.12 0.00 0.00 56.93 56.54 3a14 s PHE 282 Cb -0.13 -0.99 -0.03 0.00 -0.57 0.00 0.00 43.02 41.30 3a14 s PHE 282 CO 0.05 -0.56 -0.17 -1.83 -0.10 0.00 0.00 175.22 172.61 3a14 s GLU 283 N 1.88 1.04 0.29 0.44 -1.05 -0.85 -4.94 118.70 115.51 3a14 s GLU 283 Ca 0.00 -0.96 -0.29 0.00 -0.15 0.00 0.00 54.97 53.57 3a14 s GLU 283 Cb -0.16 -1.15 -0.10 0.00 -0.44 0.00 0.00 34.13 32.28 3a14 s GLU 283 CO -0.07 0.27 1.35 -0.51 0.95 0.00 0.00 175.26 177.24 3a14 s ASP 284 N -1.52 6.75 0.32 0.83 1.01 -1.26 -0.32 116.67 122.48 3a14 s ASP 284 Ca 0.03 2.65 -0.29 0.00 0.71 0.00 0.00 52.55 55.65 3a14 s ASP 284 Cb -0.09 -2.64 -0.11 0.00 1.01 0.00 0.00 42.92 41.09 3a14 s ASP 284 CO 0.02 -0.58 1.47 -2.84 0.21 0.00 0.00 175.17 173.45 3a14 s PRO 285 N -1.21 4.19 -0.28 8.23 0.02 -1.26 -4.83 135.00 139.85 3a14 s PRO 285 Ca 0.53 2.46 -0.29 0.00 0.02 0.00 0.00 61.00 63.72 3a14 s PRO 285 Cb -0.40 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.11 3a14 s PRO 285 CO 0.49 -0.47 1.05 0.34 -0.33 0.00 0.00 177.00 178.07 3a14 s ASP 286 N 0.04 6.99 0.52 2.53 -1.08 -1.26 -4.92 116.67 119.49 3a14 s ASP 286 Ca 0.56 1.17 0.25 0.00 -0.52 0.00 0.00 52.55 54.01 3a14 s ASP 286 Cb -0.45 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 39.85 3a14 s ASP 286 CO 0.54 -0.78 1.97 -0.65 0.52 0.00 0.00 175.17 176.76 3a14 h PRO 287 N 7.84 0.05 0.00 4.34 0.11 -1.93 -0.29 132.00 142.11 3a14 h PRO 287 Ca -0.20 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.81 3a14 h PRO 287 Cb 1.06 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3a14 h PRO 287 CO 1.01 0.03 -0.46 0.93 -0.21 0.00 0.00 178.00 179.30 3a14 h GLU 288 N 0.05 0.00 0.02 1.05 5.08 -1.99 -2.95 114.58 115.84 3a14 h GLU 288 Ca 0.30 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.40 3a14 h GLU 288 Cb 1.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 3a14 h GLU 288 CO -0.02 0.46 -1.39 -0.22 -1.00 0.00 0.00 179.01 176.84 3a14 h LYS 289 N 0.00 0.04 -1.94 2.33 3.64 -1.52 -3.42 116.57 115.70 3a14 h LYS 289 Ca -0.00 -0.08 -0.54 0.00 -1.27 0.00 0.00 60.65 58.76 3a14 h LYS 289 Cb 1.22 0.03 -0.41 0.00 -0.41 0.00 0.00 32.23 32.66 3a14 h LYS 289 CO 0.06 0.81 -0.87 0.66 -2.27 0.00 0.00 179.45 177.85 3a14 n TYR 290 N -3.24 2.59 -0.16 1.91 4.01 -0.32 -4.95 117.16 117.00 3a14 n TYR 290 Ca -0.10 -3.67 0.02 0.00 -0.16 0.00 0.00 57.90 53.99 3a14 n TYR 290 Cb 1.00 -0.39 0.30 0.00 -0.31 0.00 0.00 39.34 39.95 3a14 n TYR 290 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3a14 h PRO 291 N 2.92 0.85 -0.68 -0.72 0.13 -1.77 -2.77 132.00 129.95 3a14 h PRO 291 Ca 0.13 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 65.13 3a14 h PRO 291 Cb 0.77 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 31.68 3a14 h PRO 291 CO 0.70 0.56 0.12 0.00 -0.23 0.00 0.00 178.00 179.16 3a14 h ALA 292 N 1.59 0.90 -0.82 -0.56 0.00 -1.90 -2.30 119.26 116.17 3a14 h ALA 292 Ca 0.25 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 55.03 3a14 h ALA 292 Cb -0.04 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.40 3a14 h ALA 292 CO -0.06 0.66 0.42 0.35 0.00 0.00 0.00 179.25 180.62 3a14 h PHE 293 N 1.04 0.74 0.00 0.00 3.57 -1.63 -2.09 116.94 118.58 3a14 h PHE 293 Ca 0.21 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3a14 h PHE 293 Cb 0.43 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3a14 h PHE 293 CO 0.03 0.20 0.00 1.19 -2.23 0.00 0.00 178.31 177.51 3a14 n PHE 294 N -4.86 0.00 0.82 0.41 3.72 -0.87 -2.36 117.46 114.31 3a14 n PHE 294 Ca 0.15 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.65 3a14 n PHE 294 Cb 0.39 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.38 3a14 n PHE 294 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3a14 n LEU 295 N -0.96 0.00 -0.14 4.37 4.77 -0.78 -3.97 117.00 120.28 3a14 n LEU 295 Ca 0.19 0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 56.50 3a14 n LEU 295 Cb 0.09 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 40.85 3a14 n LEU 295 CO 0.14 -0.13 0.81 -0.07 -1.33 0.00 0.00 177.39 176.81 3a14 h LEU 296 N 0.00 -0.31 -0.95 2.23 3.38 -1.67 -1.92 115.31 116.08 3a14 h LEU 296 Ca 0.00 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3a14 h LEU 296 Cb 0.24 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 3a14 h LEU 296 CO 0.00 -0.11 0.61 0.50 0.09 0.00 0.00 178.44 179.54 3a14 h LYS 297 N 0.05 1.13 -0.80 1.13 1.63 -1.86 -0.62 116.57 117.23 3a14 h LYS 297 Ca 0.22 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.92 3a14 h LYS 297 Cb 0.33 -0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 3a14 h LYS 297 CO -0.42 0.75 0.36 0.93 -3.45 0.00 0.00 179.45 177.62 3a14 h GLU 298 N 1.16 1.16 0.00 1.90 4.39 -1.62 -3.35 114.58 118.22 3a14 h GLU 298 Ca 0.39 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3a14 h GLU 298 Cb 0.06 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 3a14 h GLU 298 CO -0.14 0.91 -1.63 0.44 -1.16 0.00 0.00 179.01 177.44 3a14 n ILE 299 N -4.30 0.00 -0.20 3.13 -6.64 -0.80 -4.71 119.36 105.84 3a14 n ILE 299 Ca 0.08 -0.34 0.18 0.00 -1.77 0.00 0.00 62.75 60.90 3a14 n ILE 299 Cb 0.16 0.31 0.53 0.00 -1.44 0.00 0.00 39.64 39.19 3a14 n ILE 299 CO 0.00 0.00 0.00 0.07 -1.77 0.00 0.00 176.55 174.85 3a14 h LYS 300 N 0.00 0.37 -0.01 6.28 2.10 -1.28 -1.40 116.57 122.63 3a14 h LYS 300 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3a14 h LYS 300 Cb 0.78 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 3a14 h LYS 300 CO 0.00 0.24 -0.27 -0.25 -2.00 0.00 0.00 179.45 177.17 3a14 n ASP 301 N -4.48 1.28 -3.98 7.07 8.00 -1.26 -4.80 116.55 118.37 3a14 n ASP 301 Ca 0.17 -1.07 -0.30 0.00 0.71 0.00 0.00 54.79 54.30 3a14 n ASP 301 Cb 0.65 0.18 -0.16 0.00 -0.02 0.00 0.00 41.12 41.77 3a14 n ASP 301 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3a14 s SER 302 N -2.45 3.08 0.52 -2.24 0.15 -0.53 -4.97 113.70 107.26 3a14 s SER 302 Ca 0.24 -0.73 0.30 0.00 0.70 0.00 0.00 55.95 56.47 3a14 s SER 302 Cb 0.19 -1.16 1.34 0.00 -1.71 0.00 0.00 66.02 64.68 3a14 s SER 302 CO 0.51 -0.13 1.99 1.88 1.20 0.00 0.00 173.24 178.70 3a14 h TYR 303 N 8.02 0.00 -0.09 3.44 0.05 -1.87 0.82 116.97 127.35 3a14 h TYR 303 Ca -0.30 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.46 3a14 h TYR 303 Cb 1.11 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.85 3a14 h TYR 303 CO 0.49 0.11 -0.02 0.00 -1.05 0.00 0.00 178.16 177.68 3a14 h ALA 304 N 1.89 0.12 -0.53 3.88 0.00 -1.89 -1.61 119.26 121.13 3a14 h ALA 304 Ca -0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3a14 h ALA 304 Cb 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3a14 h ALA 304 CO 0.01 -0.15 0.06 -0.07 0.00 0.00 0.00 179.25 179.10 3a14 h LEU 305 N -0.16 0.86 -0.62 0.00 3.38 -1.71 -0.94 115.31 116.12 3a14 h LEU 305 Ca 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3a14 h LEU 305 Cb 0.43 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3a14 h LEU 305 CO 0.01 0.92 0.30 0.03 0.09 0.00 0.00 178.44 179.79 3a14 h ARG 306 N 0.77 0.89 -0.46 1.13 3.08 -0.90 0.21 114.38 119.11 3a14 h ARG 306 Ca 0.16 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 3a14 h ARG 306 Cb 0.45 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3a14 h ARG 306 CO 0.02 0.71 0.02 1.15 -1.07 0.00 0.00 179.97 180.80 3a14 h THR 307 N 0.85 1.26 -0.54 2.04 2.02 -1.17 -1.69 112.91 115.67 3a14 h THR 307 Ca 0.21 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 3a14 h THR 307 Cb 0.12 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3a14 h THR 307 CO -0.03 0.35 0.20 0.00 0.37 0.00 0.00 175.52 176.41 3a14 h ALA 308 N 0.92 0.71 -0.56 6.16 0.00 -1.00 0.43 119.26 125.92 3a14 h ALA 308 Ca 0.13 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3a14 h ALA 308 Cb 0.47 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 3a14 h ALA 308 CO 0.02 0.34 0.17 0.35 0.00 0.00 0.00 179.25 180.13 3a14 h PHE 309 N 0.74 0.29 -0.06 0.00 3.57 -0.43 -0.26 116.94 120.78 3a14 h PHE 309 Ca 0.18 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 3a14 h PHE 309 Cb 0.23 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 3a14 h PHE 309 CO 0.01 0.05 -0.06 -0.97 -2.23 0.00 0.00 178.31 175.11 3a14 h ASN 310 N 0.33 0.16 -0.58 0.41 -1.24 -0.98 -2.30 115.58 111.39 3a14 h ASN 310 Ca 0.28 -0.48 0.08 0.00 0.71 0.00 0.00 56.30 56.90 3a14 h ASN 310 Cb 0.37 -0.05 -0.07 0.00 0.73 0.00 0.00 38.32 39.30 3a14 h ASN 310 CO -0.32 0.61 0.22 0.00 -1.29 0.00 0.00 177.43 176.65 3a14 h ALA 311 N 0.56 0.74 -0.26 1.57 0.00 -0.77 -1.19 119.26 119.91 3a14 h ALA 311 Ca 0.01 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3a14 h ALA 311 Cb 0.56 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3a14 h ALA 311 CO 0.01 -0.18 -0.22 0.00 0.00 0.00 0.00 179.25 178.87 3a14 h ALA 312 N 1.39 1.14 -0.39 0.00 0.00 -1.06 -2.25 119.26 118.09 3a14 h ALA 312 Ca 0.29 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3a14 h ALA 312 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3a14 h ALA 312 CO -0.28 0.54 -0.19 0.22 0.00 0.00 0.00 179.25 179.54 3a14 h ASP 313 N 0.43 0.84 -0.21 0.00 3.58 -1.02 -0.61 116.42 119.44 3a14 h ASP 313 Ca 0.07 -0.41 0.04 0.00 0.42 0.00 0.00 57.03 57.15 3a14 h ASP 313 Cb 0.62 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 3a14 h ASP 313 CO 0.04 1.06 -0.01 -0.08 -2.88 0.00 0.00 179.24 177.38 3a14 h GLU 314 N 0.62 0.05 -0.45 0.28 4.81 -0.93 -0.22 114.58 118.74 3a14 h GLU 314 Ca 0.09 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3a14 h GLU 314 Cb 0.74 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3a14 h GLU 314 CO 0.06 0.04 0.25 0.28 -0.73 0.00 0.00 179.01 178.90 3a14 h VAL 315 N 0.06 1.16 -0.37 0.32 2.07 -1.31 -2.68 116.25 115.50 3a14 h VAL 315 Ca 0.10 -0.42 -0.16 0.00 0.82 0.00 0.00 66.70 67.03 3a14 h VAL 315 Cb 0.13 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3a14 h VAL 315 CO -0.17 0.17 -0.40 0.00 0.02 0.00 0.00 177.57 177.19 3a14 h ALA 316 N 1.09 0.59 0.09 1.67 0.00 -0.79 -1.00 119.26 120.91 3a14 h ALA 316 Ca 0.16 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3a14 h ALA 316 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3a14 h ALA 316 CO -0.03 0.68 -0.04 0.28 0.00 0.00 0.00 179.25 180.14 3a14 h VAL 317 N 0.74 1.00 -0.72 0.00 2.07 -1.04 0.16 116.25 118.46 3a14 h VAL 317 Ca 0.06 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 67.36 3a14 h VAL 317 Cb 0.99 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 3a14 h VAL 317 CO 0.10 0.08 0.34 -0.08 0.02 0.00 0.00 177.57 178.02 3a14 h GLU 318 N -0.27 0.54 -0.52 1.57 4.57 -1.41 0.91 114.58 119.97 3a14 h GLU 318 Ca -0.01 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 3a14 h GLU 318 Cb 0.22 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3a14 h GLU 318 CO 0.02 0.36 0.01 0.00 -1.18 0.00 0.00 179.01 178.22 3a14 h ALA 319 N 1.46 0.70 -0.44 2.92 0.00 -1.02 -0.93 119.26 121.95 3a14 h ALA 319 Ca 0.37 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a14 h ALA 319 Cb 0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3a14 h ALA 319 CO -0.30 0.51 0.28 0.35 0.00 0.00 0.00 179.25 180.08 3a14 h PHE 320 N 0.78 0.57 -0.25 0.00 3.57 0.07 -0.70 116.94 120.98 3a14 h PHE 320 Ca 0.15 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 3a14 h PHE 320 Cb 0.51 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3a14 h PHE 320 CO 0.04 0.38 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.33 3a14 h LEU 321 N 0.59 0.39 -0.09 0.59 3.38 -0.66 -2.25 115.31 117.26 3a14 h LEU 321 Ca 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3a14 h LEU 321 Cb -0.03 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3a14 h LEU 321 CO -0.03 0.53 0.00 0.29 0.09 0.00 0.00 178.44 179.32 3a14 n LYS 322 N -4.24 0.18 -0.25 1.13 4.01 -0.37 -4.92 118.16 113.70 3a14 n LYS 322 Ca 0.00 0.20 0.00 0.00 -0.51 0.00 0.00 58.31 58.00 3a14 n LYS 322 Cb 0.29 -1.73 0.00 0.00 -0.51 0.00 0.00 35.03 33.07 3a14 n LYS 322 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3a14 n GLY 323 N 1.12 0.82 0.18 0.72 0.00 -0.73 -4.97 105.19 102.32 3a14 n GLY 323 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 3a14 n GLY 323 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3a14 h ARG 324 N 3.52 0.26 -4.89 1.61 3.08 -1.37 -3.45 114.38 113.14 3a14 h ARG 324 Ca 0.00 -0.16 -0.28 0.00 0.07 0.00 0.00 59.98 59.60 3a14 h ARG 324 Cb 0.00 0.02 -0.15 0.00 0.08 0.00 0.00 29.97 29.92 3a14 h ARG 324 CO 0.00 0.74 -0.70 0.96 -1.07 0.00 0.00 179.97 179.90 3a14 s ILE 325 N -3.86 0.95 0.88 2.04 -4.36 -1.24 -4.46 121.20 111.15 3a14 s ILE 325 Ca -0.04 -2.01 -0.13 0.00 -0.26 0.00 0.00 60.65 58.21 3a14 s ILE 325 Cb 0.12 -1.82 0.15 0.00 1.25 0.00 0.00 42.46 42.17 3a14 s ILE 325 CO 0.79 -0.77 1.23 -0.13 0.24 0.00 0.00 174.94 176.31 3a14 s ARG 326 N -3.80 1.18 0.27 0.37 1.81 -1.26 -4.49 118.95 113.03 3a14 s ARG 326 Ca 0.16 -0.35 -0.04 0.00 -1.72 0.00 0.00 55.73 53.78 3a14 s ARG 326 Cb 0.04 -1.95 0.33 0.00 -0.45 0.00 0.00 34.95 32.92 3a14 s ARG 326 CO -0.01 -2.03 1.90 0.35 -0.68 0.00 0.00 175.30 174.83 3a14 h PHE 327 N -1.31 1.12 0.00 -0.53 3.57 -1.40 -1.40 116.94 116.99 3a14 h PHE 327 Ca -0.44 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.05 3a14 h PHE 327 Cb 1.27 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.64 3a14 h PHE 327 CO -0.59 0.76 0.00 0.78 -2.23 0.00 0.00 178.31 177.02 3a14 h GLY 328 N 1.17 0.00 2.00 2.40 0.00 -1.12 -2.28 103.07 105.24 3a14 h GLY 328 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 3a14 h GLY 328 CO -0.05 0.00 -0.02 -1.33 0.00 0.00 0.00 176.54 175.14 3a14 h GLY 329 N 0.51 0.00 0.93 4.60 0.00 -1.48 -3.33 103.07 104.30 3a14 h GLY 329 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3a14 h GLY 329 CO 0.00 0.00 -0.36 -2.22 0.00 0.00 0.00 176.54 173.96 3a14 h ILE 330 N 0.00 0.20 -0.20 2.60 1.08 -1.54 -1.32 117.51 118.33 3a14 h ILE 330 Ca -0.00 -0.11 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 3a14 h ILE 330 Cb 0.68 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 3a14 h ILE 330 CO 0.00 0.01 -0.01 1.12 -0.69 0.00 0.00 178.15 178.58 3a14 h HIS 331 N -1.11 0.29 -0.39 1.37 2.07 -1.78 -1.88 115.15 113.71 3a14 h HIS 331 Ca -0.10 -0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.34 3a14 h HIS 331 Cb 0.80 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 30.67 3a14 h HIS 331 CO -0.01 0.31 0.03 0.00 -3.07 0.00 0.00 177.93 175.19 3a14 h ARG 332 N 0.28 0.67 -0.44 5.12 3.08 -1.65 0.24 114.38 121.69 3a14 h ARG 332 Ca 0.07 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 59.93 3a14 h ARG 332 Cb 0.21 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3a14 h ARG 332 CO 0.01 0.75 0.27 0.28 -1.07 0.00 0.00 179.97 180.20 3a14 h VAL 333 N 0.51 1.06 0.34 2.04 2.07 -0.74 -1.45 116.25 120.08 3a14 h VAL 333 Ca 0.11 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3a14 h VAL 333 Cb 0.43 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3a14 h VAL 333 CO 0.01 0.10 -0.22 0.40 0.02 0.00 0.00 177.57 177.88 3a14 h ILE 334 N 0.54 0.53 -0.36 4.57 5.03 -1.21 -1.24 117.51 125.38 3a14 h ILE 334 Ca 0.17 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.96 3a14 h ILE 334 Cb -0.01 0.53 -0.04 0.00 -3.03 0.00 0.00 36.82 34.27 3a14 h ILE 334 CO -0.07 0.00 0.09 -0.33 -0.68 0.00 0.00 178.15 177.16 3a14 h GLU 335 N -0.54 0.22 -0.33 2.37 5.08 -0.83 0.13 114.58 120.68 3a14 h GLU 335 Ca -0.03 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3a14 h GLU 335 Cb 0.46 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3a14 h GLU 335 CO 0.02 0.14 -0.19 0.87 -1.00 0.00 0.00 179.01 178.86 3a14 h LYS 336 N 0.22 0.61 -0.37 2.33 1.57 -1.25 -2.77 116.57 116.93 3a14 h LYS 336 Ca 0.17 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3a14 h LYS 336 Cb 0.17 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3a14 h LYS 336 CO -0.20 0.77 -0.25 1.15 -0.57 0.00 0.00 179.45 180.35 3a14 h THR 337 N 0.55 1.28 -0.94 -0.16 2.02 -0.65 -3.11 112.91 111.90 3a14 h THR 337 Ca 0.09 -1.41 0.05 0.00 0.77 0.00 0.00 66.41 65.91 3a14 h THR 337 Cb 0.63 1.38 -0.06 0.00 -1.74 0.00 0.00 68.15 68.37 3a14 h THR 337 CO 0.04 0.46 0.61 -0.07 0.37 0.00 0.00 175.52 176.94 3a14 h LEU 338 N 0.61 0.99 -1.25 2.58 3.38 -0.85 -2.36 115.31 118.42 3a14 h LEU 338 Ca 0.07 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.25 3a14 h LEU 338 Cb 0.82 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.27 3a14 h LEU 338 CO 0.07 0.66 0.62 -0.33 0.09 0.00 0.00 178.44 179.54 3a14 h GLU 339 N 1.14 0.57 0.00 1.13 5.08 -1.42 0.13 114.58 121.21 3a14 h GLU 339 Ca 0.39 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3a14 h GLU 339 Cb 0.08 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3a14 h GLU 339 CO -0.15 0.38 0.00 0.39 -1.00 0.00 0.00 179.01 178.63 3a14 n GLU 340 N -4.64 0.42 -0.07 2.33 1.02 -0.89 -2.86 120.64 115.94 3a14 n GLU 340 Ca 0.22 0.05 0.03 0.00 -0.02 0.00 0.00 57.16 57.43 3a14 n GLU 340 Cb 0.66 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.64 3a14 n GLU 340 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3a14 n PHE 341 N -1.23 0.19 -2.15 -0.32 3.72 0.03 -5.00 117.46 112.70 3a14 n PHE 341 Ca 0.13 -0.44 -0.41 0.00 -0.05 0.00 0.00 57.45 56.68 3a14 n PHE 341 Cb 0.17 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 3a14 n PHE 341 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3a14 s GLN 342 N -0.93 4.36 0.00 -1.08 -2.07 -1.14 -2.29 119.66 116.51 3a14 s GLN 342 Ca 0.10 2.15 0.00 0.00 -1.82 0.00 0.00 55.36 55.80 3a14 s GLN 342 Cb 0.06 -3.14 0.00 0.00 -1.09 0.00 0.00 33.01 28.83 3a14 s GLN 342 CO 0.07 -0.27 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 3a14 n GLY 343 N 1.91 1.44 3.78 2.60 0.00 -1.26 -5.03 105.19 108.63 3a14 n GLY 343 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3a14 n GLY 343 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a14 n TYR 344 N -2.00 3.02 -1.71 1.61 4.02 -0.97 -4.96 117.16 116.18 3a14 n TYR 344 Ca 0.00 0.44 -0.32 0.00 -0.01 0.00 0.00 57.90 58.01 3a14 n TYR 344 Cb 0.00 -2.54 0.05 0.00 -0.02 0.00 0.00 39.34 36.83 3a14 n TYR 344 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3a14 s PRO 345 N -2.12 2.88 0.12 -0.72 0.04 -1.26 -4.96 135.00 128.98 3a14 s PRO 345 Ca 0.53 1.19 -0.32 0.00 0.04 0.00 0.00 61.00 62.45 3a14 s PRO 345 Cb -0.47 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 31.98 3a14 s PRO 345 CO 0.64 -1.16 1.81 0.94 0.04 0.00 0.00 177.00 179.27 3a14 n GLN 346 N -2.67 2.68 -1.70 4.56 -0.06 -1.26 -4.72 117.38 114.21 3a14 n GLN 346 Ca 0.09 0.98 -0.38 0.00 -2.00 0.00 0.00 57.00 55.69 3a14 n GLN 346 Cb 0.53 -2.85 0.06 0.00 -4.06 0.00 0.00 30.24 23.91 3a14 n GLN 346 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 3a14 n PRO 347 N 5.37 1.23 -0.00 3.69 -0.02 -1.26 -4.95 135.00 139.05 3a14 n PRO 347 Ca 0.18 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3a14 n PRO 347 Cb 0.36 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3a14 n PRO 347 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3a14 n ARG 348 N -1.39 0.84 -4.26 -0.52 1.74 -1.26 -5.01 116.66 106.80 3a14 n ARG 348 Ca 0.14 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.07 3a14 n ARG 348 Cb 0.47 -1.01 -0.10 0.00 -1.02 0.00 0.00 32.46 30.80 3a14 n ARG 348 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3a14 s THR 349 N -2.02 0.74 0.25 0.55 -4.23 -1.26 -5.04 115.64 104.63 3a14 s THR 349 Ca -0.00 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.48 3a14 s THR 349 Cb 0.00 -2.19 0.24 0.00 1.34 0.00 0.00 72.50 71.90 3a14 s THR 349 CO 0.02 -0.42 1.69 0.25 -0.54 0.00 0.00 174.62 175.61 3a14 h LEU 350 N 2.64 0.07 -0.79 4.79 5.85 -1.99 -2.30 115.31 123.58 3a14 h LEU 350 Ca -0.37 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3a14 h LEU 350 Cb 1.21 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.38 3a14 h LEU 350 CO 0.63 -0.02 0.42 -0.78 -0.34 0.00 0.00 178.44 178.34 3a14 h ASP 351 N 0.30 1.01 -0.16 1.25 3.58 -1.99 -0.31 116.42 120.10 3a14 h ASP 351 Ca 0.44 -0.11 0.04 0.00 0.42 0.00 0.00 57.03 57.81 3a14 h ASP 351 Cb 0.75 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.51 3a14 h ASP 351 CO -0.51 0.83 -0.07 0.44 -2.88 0.00 0.00 179.24 177.05 3a14 h ASP 352 N 1.11 -0.23 -0.44 2.28 3.32 -1.85 -0.53 116.42 120.08 3a14 h ASP 352 Ca 0.28 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.39 3a14 h ASP 352 Cb 0.06 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3a14 h ASP 352 CO -0.04 -0.09 0.28 0.58 -1.72 0.00 0.00 179.24 178.25 3a14 h VAL 353 N -0.04 1.12 -0.78 -1.35 2.07 -1.02 -0.88 116.25 115.36 3a14 h VAL 353 Ca 0.09 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3a14 h VAL 353 Cb 0.17 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3a14 h VAL 353 CO -0.19 0.12 0.29 -0.33 0.02 0.00 0.00 177.57 177.47 3a14 h GLU 354 N 0.59 1.17 -0.37 1.57 5.08 -0.89 -0.95 114.58 120.79 3a14 h GLU 354 Ca 0.16 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3a14 h GLU 354 Cb -0.05 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 3a14 h GLU 354 CO -0.03 0.96 0.24 0.00 -1.00 0.00 0.00 179.01 179.17 3a14 h ARG 355 N 1.14 0.49 -0.42 2.33 3.08 -0.81 -1.81 114.38 118.38 3a14 h ARG 355 Ca 0.26 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3a14 h ARG 355 Cb 0.24 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3a14 h ARG 355 CO -0.02 0.34 0.26 0.82 -1.07 0.00 0.00 179.97 180.30 3a14 h ILE 356 N 0.49 1.12 -0.07 2.04 5.03 -0.82 -2.14 117.51 123.16 3a14 h ILE 356 Ca 0.13 -0.27 0.04 0.00 -0.12 0.00 0.00 64.86 64.64 3a14 h ILE 356 Cb -0.04 0.56 -0.05 0.00 -3.03 0.00 0.00 36.82 34.26 3a14 h ILE 356 CO -0.03 0.12 -0.21 -0.74 -0.68 0.00 0.00 178.15 176.62 3a14 h HIS 357 N 0.55 -0.55 -0.46 1.37 2.76 -0.90 0.18 115.15 118.10 3a14 h HIS 357 Ca 0.15 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.24 3a14 h HIS 357 Cb -0.02 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 3a14 h HIS 357 CO -0.04 -0.29 -0.12 0.74 -1.30 0.00 0.00 177.93 176.92 3a14 h PHE 358 N -0.30 0.94 -0.71 5.26 0.04 -1.24 -0.71 116.94 120.22 3a14 h PHE 358 Ca 0.08 -0.18 -0.05 0.00 2.80 0.00 0.00 57.97 60.62 3a14 h PHE 358 Cb 0.41 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 3a14 h PHE 358 CO -0.29 0.92 0.25 1.49 -0.60 0.00 0.00 178.31 180.07 3a14 h GLU 359 N 0.76 1.08 -0.46 1.51 4.81 -1.12 -2.13 114.58 119.04 3a14 h GLU 359 Ca 0.12 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 3a14 h GLU 359 Cb 0.63 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3a14 h GLU 359 CO 0.04 0.91 -0.22 0.00 -0.73 0.00 0.00 179.01 179.01 3a14 h ALA 360 N 1.22 0.74 -0.74 2.92 0.00 -0.29 -1.19 119.26 121.91 3a14 h ALA 360 Ca 0.23 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3a14 h ALA 360 Cb 0.26 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3a14 h ALA 360 CO -0.01 0.66 0.48 0.82 0.00 0.00 0.00 179.25 181.20 3a14 h ILE 361 N 0.81 1.13 0.16 0.00 2.04 -0.91 -0.60 117.51 120.14 3a14 h ILE 361 Ca 0.11 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3a14 h ILE 361 Cb 0.78 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3a14 h ILE 361 CO 0.07 0.17 -0.08 0.50 0.00 0.00 0.00 178.15 178.81 3a14 h LYS 362 N 0.94 -0.21 -0.55 2.37 3.64 -1.06 -1.72 116.57 119.99 3a14 h LYS 362 Ca 0.29 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.70 3a14 h LYS 362 Cb -0.02 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3a14 h LYS 362 CO -0.10 -0.03 0.34 0.87 -2.27 0.00 0.00 179.45 178.27 3a14 h LYS 363 N -0.34 0.67 -0.48 1.90 1.57 -1.11 -1.91 116.57 116.86 3a14 h LYS 363 Ca -0.02 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3a14 h LYS 363 Cb 0.27 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3a14 h LYS 363 CO 0.04 0.44 0.24 0.00 -0.57 0.00 0.00 179.45 179.60 3a14 h ALA 364 N 1.22 1.52 -0.36 3.86 0.00 -1.02 -0.91 119.26 123.57 3a14 h ALA 364 Ca 0.21 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3a14 h ALA 364 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3a14 h ALA 364 CO -0.07 0.39 -0.04 1.49 0.00 0.00 0.00 179.25 181.01 3a14 h GLU 365 N 0.67 0.66 -0.34 0.00 4.57 -0.88 0.22 114.58 119.48 3a14 h GLU 365 Ca 0.17 -0.23 0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3a14 h GLU 365 Cb 0.06 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 3a14 h GLU 365 CO -0.02 0.80 0.13 0.00 -1.18 0.00 0.00 179.01 178.73 3a14 h ARG 366 N 0.46 0.27 -0.70 1.92 3.08 -0.67 -0.71 114.38 118.03 3a14 h ARG 366 Ca 0.10 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3a14 h ARG 366 Cb 0.53 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3a14 h ARG 366 CO 0.03 0.18 0.42 0.28 -1.07 0.00 0.00 179.97 179.80 3a14 h VAL 367 N 0.28 1.20 -0.82 2.04 2.07 -1.10 -2.56 116.25 117.36 3a14 h VAL 367 Ca 0.15 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.25 3a14 h VAL 367 Cb 0.11 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 3a14 h VAL 367 CO -0.14 0.21 0.53 0.74 0.02 0.00 0.00 177.57 178.92 3a14 h THR 368 N 0.95 1.14 -0.40 2.57 2.02 -0.35 -1.79 112.91 117.05 3a14 h THR 368 Ca 0.25 -0.35 0.06 0.00 0.77 0.00 0.00 66.41 67.13 3a14 h THR 368 Cb -0.03 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.35 3a14 h THR 368 CO -0.05 0.19 0.10 -0.33 0.37 0.00 0.00 175.52 175.80 3a14 h GLU 369 N 1.03 0.23 -0.34 6.66 5.08 -0.76 0.28 114.58 126.77 3a14 h GLU 369 Ca 0.32 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.72 3a14 h GLU 369 Cb -0.00 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 3a14 h GLU 369 CO -0.11 0.15 0.04 -1.49 -1.00 0.00 0.00 179.01 176.60 3a14 h TRP 370 N 0.24 0.06 0.00 4.33 4.06 -1.17 -1.78 115.95 121.69 3a14 h TRP 370 Ca 0.19 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.16 3a14 h TRP 370 Cb 0.21 0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.39 3a14 h TRP 370 CO -0.18 -0.01 0.00 -0.07 -3.56 0.00 0.00 178.44 174.62 3a14 h LEU 371 N 0.15 0.00 0.00 -4.49 3.38 -0.84 -3.52 115.31 109.99 3a14 h LEU 371 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3a14 h LEU 371 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3a14 h LEU 371 CO -0.23 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.06