#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p5t n GLN 4 N 0.00 0.00 -1.35 0.38 0.00 -1.26 -4.88 117.38 110.27 2p5t n GLN 4 Ca 0.00 -0.34 -0.35 0.00 0.00 0.00 0.00 57.00 56.31 2p5t n GLN 4 Cb 0.00 -0.38 0.10 0.00 0.00 0.00 0.00 30.24 29.97 2p5t n GLN 4 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2p5t n ASP 5 N 0.00 1.27 -3.91 2.61 9.92 -1.26 -4.96 116.55 120.22 2p5t n ASP 5 Ca 0.00 0.68 -0.22 0.00 -0.53 0.00 0.00 54.79 54.72 2p5t n ASP 5 Cb 0.48 -1.51 -0.17 0.00 -0.64 0.00 0.00 41.12 39.28 2p5t n ASP 5 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 2p5t s TYR 6 N -1.83 0.97 0.82 1.24 -0.85 -1.26 -4.86 117.35 111.59 2p5t s TYR 6 Ca 0.76 -0.33 -0.11 0.00 -0.52 0.00 0.00 57.07 56.87 2p5t s TYR 6 Cb -0.33 -0.83 0.09 0.00 0.38 0.00 0.00 41.96 41.26 2p5t s TYR 6 CO 0.47 -0.26 1.09 0.95 -1.52 0.00 0.00 175.55 176.28 2p5t s THR 7 N 1.08 3.05 0.01 -3.49 -4.23 -1.26 -4.94 115.64 105.87 2p5t s THR 7 Ca -0.08 0.34 0.22 0.00 -1.18 0.00 0.00 61.69 61.00 2p5t s THR 7 Cb -0.14 -2.85 0.22 0.00 1.34 0.00 0.00 72.50 71.06 2p5t s THR 7 CO -0.01 -0.45 1.73 -0.78 -0.54 0.00 0.00 174.62 174.57 2p5t h ASP 8 N -1.29 0.00 1.35 3.99 1.82 -2.01 -2.48 116.42 117.80 2p5t h ASP 8 Ca -0.46 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 2p5t h ASP 8 Cb 1.25 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.26 2p5t h ASP 8 CO 0.53 0.25 0.00 0.77 -1.61 0.00 0.00 179.24 179.18 2p5t h SER 9 N 0.00 0.00 0.48 2.28 4.64 -1.99 -2.93 113.55 116.03 2p5t h SER 9 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 2p5t h SER 9 Cb 0.90 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.01 2p5t h SER 9 CO 0.03 0.00 -1.35 -0.33 -0.87 0.00 0.00 176.83 174.31 2p5t h GLU 10 N 0.00 0.38 0.22 4.77 5.08 -1.82 -2.19 114.58 121.03 2p5t h GLU 10 Ca 0.00 -0.65 -0.01 0.00 -1.00 0.00 0.00 59.36 57.69 2p5t h GLU 10 Cb 0.68 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2p5t h GLU 10 CO 0.00 1.31 -0.11 0.35 -1.00 0.00 0.00 179.01 179.57 2p5t h PHE 11 N 0.10 -0.28 -0.19 4.33 3.57 -1.56 -1.79 116.94 121.12 2p5t h PHE 11 Ca -0.19 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.35 2p5t h PHE 11 Cb 2.06 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.88 2p5t h PHE 11 CO 0.09 0.02 0.14 0.87 -2.23 0.00 0.00 178.31 177.19 2p5t h LYS 12 N -0.57 0.06 0.56 1.11 1.57 -1.61 0.56 116.57 118.24 2p5t h LYS 12 Ca -0.03 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2p5t h LYS 12 Cb 0.42 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.72 2p5t h LYS 12 CO 0.05 0.04 -0.27 1.25 -0.57 0.00 0.00 179.45 179.95 2p5t h HIS 13 N 0.06 -0.69 0.00 -1.35 2.76 -1.34 -0.42 115.15 114.17 2p5t h HIS 13 Ca 0.09 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 2p5t h HIS 13 Cb 0.28 0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 2p5t h HIS 13 CO -0.00 -0.43 -0.31 0.00 -1.30 0.00 0.00 177.93 175.89 2p5t h ALA 14 N -1.21 1.38 -0.03 5.26 0.00 -1.01 -1.52 119.26 122.13 2p5t h ALA 14 Ca -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2p5t h ALA 14 Cb 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2p5t h ALA 14 CO 0.13 0.38 -0.05 1.25 0.00 0.00 0.00 179.25 180.96 2p5t h LEU 15 N 0.00 0.09 -0.77 0.00 5.85 0.04 -1.69 115.31 118.83 2p5t h LEU 15 Ca -0.00 -0.57 0.06 0.00 0.84 0.00 0.00 57.88 58.20 2p5t h LEU 15 Cb 0.58 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2p5t h LEU 15 CO 0.04 0.65 0.47 0.00 -0.34 0.00 0.00 178.44 179.26 2p5t h ALA 16 N 0.44 1.05 -0.36 1.25 0.00 -0.90 -0.58 119.26 120.17 2p5t h ALA 16 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2p5t h ALA 16 Cb 0.63 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2p5t h ALA 16 CO 0.01 0.19 0.21 -0.09 0.00 0.00 0.00 179.25 179.58 2p5t h ARG 17 N 0.86 0.42 -0.18 0.00 2.43 -1.32 -1.88 114.38 114.72 2p5t h ARG 17 Ca 0.34 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.41 2p5t h ARG 17 Cb 0.15 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2p5t h ARG 17 CO -0.17 0.28 -0.21 -0.91 -1.51 0.00 0.00 179.97 177.45 2p5t h ASN 18 N 0.43 0.30 -0.02 -3.80 2.35 -0.38 0.16 115.58 114.62 2p5t h ASN 18 Ca 0.14 -0.08 -0.19 0.00 -0.55 0.00 0.00 56.30 55.62 2p5t h ASN 18 Cb 0.00 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 2p5t h ASN 18 CO -0.07 0.53 -0.65 -0.07 -1.65 0.00 0.00 177.43 175.52 2p5t h LEU 19 N 0.28 0.73 -0.03 1.61 3.38 -0.97 0.61 115.31 120.93 2p5t h LEU 19 Ca 0.05 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 2p5t h LEU 19 Cb 0.54 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2p5t h LEU 19 CO 0.04 1.19 0.01 -0.09 0.09 0.00 0.00 178.44 179.68 2p5t h ARG 20 N 0.47 0.04 -0.12 1.13 2.43 -1.03 -2.91 114.38 114.38 2p5t h ARG 20 Ca -0.01 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2p5t h ARG 20 Cb 1.23 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.71 2p5t h ARG 20 CO 0.13 0.11 -0.45 0.77 -1.51 0.00 0.00 179.97 179.01 2p5t h SER 21 N -0.04 -1.42 1.53 -3.80 0.02 -0.47 -3.22 113.55 106.14 2p5t h SER 21 Ca 0.01 0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 2p5t h SER 21 Cb 0.08 0.57 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2p5t h SER 21 CO -0.00 -0.45 -0.48 -0.07 -1.14 0.00 0.00 176.83 174.69 2p5t h LEU 22 N -0.52 0.00 -1.44 5.07 3.38 -0.96 -3.21 115.31 117.62 2p5t h LEU 22 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2p5t h LEU 22 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2p5t h LEU 22 CO -0.40 0.39 -0.28 0.74 0.09 0.00 0.00 178.44 178.98 2p5t h THR 23 N 0.00 1.01 -1.48 0.22 2.02 -1.52 -3.45 112.91 109.70 2p5t h THR 23 Ca -0.01 -1.02 -0.76 0.00 0.77 0.00 0.00 66.41 65.39 2p5t h THR 23 Cb 1.31 1.58 0.01 0.00 -1.74 0.00 0.00 68.15 69.32 2p5t h THR 23 CO 0.05 0.27 0.87 0.54 0.37 0.00 0.00 175.52 177.62 2p5t n ARG 24 N -3.92 1.01 -1.20 6.66 5.12 -1.22 -1.83 116.66 121.28 2p5t n ARG 24 Ca -0.02 0.37 -0.07 0.00 -1.93 0.00 0.00 57.85 56.20 2p5t n ARG 24 Cb 0.35 -2.03 -0.03 0.00 -1.16 0.00 0.00 32.46 29.60 2p5t n ARG 24 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2p5t n GLY 25 N 4.16 0.83 3.50 -0.13 0.00 -1.26 -5.00 105.19 107.29 2p5t n GLY 25 Ca 0.27 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2p5t n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p5t s LYS 26 N -2.19 2.23 0.02 1.61 -0.14 -0.76 -4.79 119.74 115.71 2p5t s LYS 26 Ca 0.00 -0.90 0.08 0.00 -1.36 0.00 0.00 55.97 53.79 2p5t s LYS 26 Cb 0.00 -2.28 -0.02 0.00 -1.68 0.00 0.00 37.83 33.84 2p5t s LYS 26 CO 0.00 0.56 -0.24 0.15 -0.76 0.00 0.00 175.35 175.06 2p5t s LYS 27 N -1.41 1.75 1.09 1.68 1.02 -1.26 -5.02 119.74 117.58 2p5t s LYS 27 Ca 0.15 -0.97 -0.13 0.00 0.02 0.00 0.00 55.97 55.05 2p5t s LYS 27 Cb -0.11 -1.82 0.24 0.00 -0.52 0.00 0.00 37.83 35.62 2p5t s LYS 27 CO 0.06 0.48 1.06 -1.54 -0.92 0.00 0.00 175.35 174.49 2p5t s SER 28 N -0.96 1.75 -0.06 2.83 1.04 -1.26 -4.71 113.70 112.32 2p5t s SER 28 Ca 0.10 1.36 -0.03 0.00 0.48 0.00 0.00 55.95 57.86 2p5t s SER 28 Cb -0.09 -2.08 0.04 0.00 0.10 0.00 0.00 66.02 63.98 2p5t s SER 28 CO 0.01 -3.70 0.15 -0.55 0.98 0.00 0.00 173.24 170.12 2p5t s SER 29 N -2.97 -0.11 0.57 7.02 0.15 0.11 -4.97 113.70 113.49 2p5t s SER 29 Ca 0.67 0.30 0.34 0.00 0.70 0.00 0.00 55.95 57.96 2p5t s SER 29 Cb -0.22 0.19 1.67 0.00 -1.71 0.00 0.00 66.02 65.96 2p5t s SER 29 CO 0.61 -0.14 2.12 0.11 1.20 0.00 0.00 173.24 177.14 2p5t h LYS 30 N 7.15 0.00 -2.16 5.44 1.79 -1.97 -3.29 116.57 123.52 2p5t h LYS 30 Ca -0.42 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.46 2p5t h LYS 30 Cb 1.14 0.00 -0.42 0.00 -1.58 0.00 0.00 32.23 31.38 2p5t h LYS 30 CO 0.42 0.05 -0.67 1.04 -1.08 0.00 0.00 179.45 179.21 2p5t n GLN 31 N -3.28 2.26 -2.43 3.15 1.13 -1.26 -5.08 117.38 111.86 2p5t n GLN 31 Ca -0.01 -4.45 -0.31 0.00 -1.94 0.00 0.00 57.00 50.28 2p5t n GLN 31 Cb 0.22 -2.09 -0.03 0.00 0.11 0.00 0.00 30.24 28.46 2p5t n GLN 31 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2p5t s PRO 32 N -2.30 3.84 -0.07 -1.09 0.04 -1.24 -4.94 135.00 129.23 2p5t s PRO 32 Ca 0.39 0.78 0.04 0.00 0.04 0.00 0.00 61.00 62.24 2p5t s PRO 32 Cb 0.16 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2p5t s PRO 32 CO -0.03 -0.26 -0.18 0.42 0.04 0.00 0.00 177.00 177.00 2p5t s ILE 33 N -2.66 1.53 -0.14 0.56 1.01 -1.26 -2.13 121.20 118.11 2p5t s ILE 33 Ca 0.56 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.48 2p5t s ILE 33 Cb -0.10 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 2p5t s ILE 33 CO 0.35 0.44 -0.15 0.00 0.00 0.00 0.00 174.94 175.58 2p5t s ALA 34 N 0.35 2.52 -0.16 9.38 0.00 -0.50 -1.01 121.76 132.34 2p5t s ALA 34 Ca -0.12 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.89 2p5t s ALA 34 Cb -0.15 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 21.80 2p5t s ALA 34 CO 0.05 0.13 -0.19 0.42 0.00 0.00 0.00 175.76 176.16 2p5t s ILE 35 N 0.56 1.93 0.05 0.00 1.01 0.93 -0.26 121.20 125.41 2p5t s ILE 35 Ca -0.09 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 2p5t s ILE 35 Cb -0.16 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 2p5t s ILE 35 CO 0.04 0.52 0.37 -0.76 0.00 0.00 0.00 174.94 175.10 2p5t s LEU 36 N 1.21 4.37 -0.21 2.97 1.43 -0.29 -0.26 118.68 127.89 2p5t s LEU 36 Ca 0.02 0.76 -0.05 0.00 -1.03 0.00 0.00 54.13 53.83 2p5t s LEU 36 Cb -0.14 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.23 2p5t s LEU 36 CO -0.09 0.22 -0.00 -0.76 0.23 0.00 0.00 176.35 175.94 2p5t s LEU 37 N -1.72 3.20 0.39 1.79 1.43 -0.04 0.09 118.68 123.83 2p5t s LEU 37 Ca 0.30 -0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.24 2p5t s LEU 37 Cb -0.14 -1.82 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 2p5t s LEU 37 CO 0.16 0.04 0.12 -0.83 0.23 0.00 0.00 176.35 176.07 2p5t s GLY 38 N 1.13 2.29 0.00 -3.19 0.00 -1.08 -0.80 107.32 105.67 2p5t s GLY 38 Ca 0.03 -2.10 0.00 0.00 0.00 0.00 0.00 44.72 42.65 2p5t s GLY 38 CO 0.01 -1.93 0.00 0.61 0.00 0.00 0.00 173.10 171.79 2p5t n GLY 39 N -1.13 3.72 3.44 0.20 0.00 -1.26 -2.49 105.19 107.66 2p5t n GLY 39 Ca -0.02 -1.62 -0.44 0.00 0.00 0.00 0.00 46.02 43.94 2p5t n GLY 39 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2p5t n GLN 40 N -1.25 0.47 -0.01 1.61 6.02 -1.26 -4.89 117.38 118.06 2p5t n GLN 40 Ca 0.00 0.17 -0.14 0.00 -0.01 0.00 0.00 57.00 57.01 2p5t n GLN 40 Cb 0.00 -1.36 -0.09 0.00 1.02 0.00 0.00 30.24 29.81 2p5t n GLN 40 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2p5t h SER 41 N 0.96 -1.61 -0.22 1.08 0.87 -1.65 -2.55 113.55 110.43 2p5t h SER 41 Ca -0.37 0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.34 2p5t h SER 41 Cb 1.41 0.63 -0.03 0.00 -0.44 0.00 0.00 62.40 63.97 2p5t h SER 41 CO 0.53 -0.45 0.06 0.61 -0.53 0.00 0.00 176.83 177.05 2p5t n GLY 42 N -1.40 2.20 0.23 5.77 0.00 -1.26 -3.93 105.19 106.79 2p5t n GLY 42 Ca -0.06 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.78 2p5t n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p5t h ALA 43 N 2.37 0.98 -1.32 4.61 0.00 -1.69 -3.39 119.26 120.81 2p5t h ALA 43 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2p5t h ALA 43 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2p5t h ALA 43 CO 0.21 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.93 2p5t n GLY 44 N 0.80 0.79 0.27 0.00 0.00 -1.25 -4.85 105.19 100.94 2p5t n GLY 44 Ca 0.03 -0.57 0.10 0.00 0.00 0.00 0.00 46.02 45.58 2p5t n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p5t h LYS 45 N 0.00 0.00 0.00 1.61 1.57 -1.87 -2.05 116.57 115.84 2p5t h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2p5t h LYS 45 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2p5t h LYS 45 CO 0.00 0.01 0.48 1.79 -0.57 0.00 0.00 179.45 181.16 2p5t h THR 46 N 0.00 0.00 -0.25 -0.16 1.35 -1.95 0.23 112.91 112.13 2p5t h THR 46 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.78 2p5t h THR 46 Cb 0.02 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 66.85 2p5t h THR 46 CO 0.00 0.00 -0.17 0.74 -0.25 0.00 0.00 175.52 175.84 2p5t h THR 47 N 0.00 1.31 -0.47 6.82 2.02 -1.75 -3.07 112.91 117.77 2p5t h THR 47 Ca 0.00 -1.29 -0.09 0.00 0.77 0.00 0.00 66.41 65.80 2p5t h THR 47 Cb 0.96 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 2p5t h THR 47 CO 0.00 0.40 -0.05 0.40 0.37 0.00 0.00 175.52 176.64 2p5t h ILE 48 N 0.26 1.25 -0.45 3.11 2.04 -0.73 -1.65 117.51 121.34 2p5t h ILE 48 Ca 0.05 -1.10 0.09 0.00 1.00 0.00 0.00 64.86 64.90 2p5t h ILE 48 Cb 0.70 0.95 -0.09 0.00 -0.74 0.00 0.00 36.82 37.64 2p5t h ILE 48 CO 0.05 0.38 -0.11 0.45 0.00 0.00 0.00 178.15 178.92 2p5t h HIS 49 N 0.75 -0.24 -0.55 1.37 3.86 -1.57 0.85 115.15 119.61 2p5t h HIS 49 Ca 0.14 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2p5t h HIS 49 Cb 0.53 0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.15 2p5t h HIS 49 CO 0.03 -0.20 0.36 0.00 0.86 0.00 0.00 177.93 178.98 2p5t h ARG 50 N -0.00 0.73 0.20 2.45 3.08 -1.23 0.31 114.38 119.92 2p5t h ARG 50 Ca 0.22 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2p5t h ARG 50 Cb 0.33 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2p5t h ARG 50 CO -0.47 0.48 -0.10 0.82 -1.07 0.00 0.00 179.97 179.64 2p5t h ILE 51 N 0.74 0.88 0.00 2.04 2.04 -0.82 -2.80 117.51 119.58 2p5t h ILE 51 Ca 0.20 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2p5t h ILE 51 Cb -0.08 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2p5t h ILE 51 CO -0.04 0.09 -0.06 0.11 0.00 0.00 0.00 178.15 178.25 2p5t h LYS 52 N -0.47 0.00 -0.04 2.37 1.79 -0.75 0.15 116.57 119.62 2p5t h LYS 52 Ca -0.03 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.23 2p5t h LYS 52 Cb 0.36 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.02 2p5t h LYS 52 CO 0.04 0.06 -0.79 0.37 -1.08 0.00 0.00 179.45 178.06 2p5t h GLN 53 N 0.00 0.61 -0.26 3.15 5.75 -0.97 -2.15 115.11 121.24 2p5t h GLN 53 Ca -0.00 -0.60 -0.15 0.00 -0.15 0.00 0.00 58.65 57.75 2p5t h GLN 53 Cb 0.91 0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 2p5t h GLN 53 CO 0.01 1.21 -0.44 -0.22 -2.65 0.00 0.00 178.83 176.74 2p5t h LYS 54 N 0.24 0.65 0.00 1.69 3.64 -1.37 0.16 116.57 121.58 2p5t h LYS 54 Ca -0.09 -0.35 -0.07 0.00 -1.27 0.00 0.00 60.65 58.88 2p5t h LYS 54 Cb 1.45 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 2p5t h LYS 54 CO 0.16 0.96 -0.32 1.49 -2.27 0.00 0.00 179.45 179.47 2p5t h GLU 55 N 0.52 0.00 -0.55 1.90 4.81 -0.73 -2.14 114.58 118.39 2p5t h GLU 55 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2p5t h GLU 55 Cb 0.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2p5t h GLU 55 CO 0.09 0.32 0.00 1.19 -0.73 0.00 0.00 179.01 179.88 2p5t n PHE 56 N -3.75 0.78 -3.89 0.92 3.72 -0.81 -4.99 117.46 109.44 2p5t n PHE 56 Ca -0.01 -0.51 -0.31 0.00 -0.05 0.00 0.00 57.45 56.57 2p5t n PHE 56 Cb 0.41 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 2p5t n PHE 56 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2p5t n GLN 57 N 1.09 -1.96 0.00 -1.08 6.02 -0.65 -0.92 117.38 119.88 2p5t n GLN 57 Ca 0.19 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 2p5t n GLN 57 Cb 0.56 -4.04 0.00 0.00 1.02 0.00 0.00 30.24 27.77 2p5t n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2p5t n GLY 58 N -1.92 2.85 2.78 1.08 0.00 0.49 -4.94 105.19 105.52 2p5t n GLY 58 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2p5t n GLY 58 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2p5t n ASN 59 N 0.00 6.97 -3.70 1.61 5.15 -0.09 -4.83 115.26 120.37 2p5t n ASN 59 Ca 0.00 -3.54 -0.11 0.00 -0.60 0.00 0.00 54.58 50.34 2p5t n ASN 59 Cb 0.00 -1.23 -0.11 0.00 -0.53 0.00 0.00 39.78 37.92 2p5t n ASN 59 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2p5t s ILE 60 N -3.43 -0.02 -0.20 -1.44 2.07 -1.26 -4.61 121.20 112.31 2p5t s ILE 60 Ca 0.37 0.07 -0.22 0.00 -1.41 0.00 0.00 60.65 59.46 2p5t s ILE 60 Cb 0.13 -0.62 -0.02 0.00 0.13 0.00 0.00 42.46 42.08 2p5t s ILE 60 CO -0.03 0.03 0.70 -0.69 -1.91 0.00 0.00 174.94 173.04 2p5t s VAL 61 N 1.22 4.96 -0.19 4.00 1.01 0.20 -4.92 120.40 126.69 2p5t s VAL 61 Ca -0.08 1.32 -0.13 0.00 0.00 0.00 0.00 61.98 63.09 2p5t s VAL 61 Cb -0.07 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2p5t s VAL 61 CO -0.11 0.06 0.26 -0.63 0.00 0.00 0.00 175.10 174.68 2p5t s ILE 62 N 2.16 5.32 -0.33 2.22 1.01 -1.26 -0.24 121.20 130.08 2p5t s ILE 62 Ca 0.31 0.44 0.02 0.00 0.00 0.00 0.00 60.65 61.43 2p5t s ILE 62 Cb -0.16 -3.60 0.09 0.00 0.01 0.00 0.00 42.46 38.80 2p5t s ILE 62 CO 0.10 0.37 0.03 -0.63 0.00 0.00 0.00 174.94 174.80 2p5t s ILE 63 N 0.71 2.44 -0.41 2.92 1.01 -0.41 -4.96 121.20 122.49 2p5t s ILE 63 Ca 0.14 -2.05 -0.08 0.00 0.00 0.00 0.00 60.65 58.66 2p5t s ILE 63 Cb -0.13 -2.66 0.08 0.00 0.01 0.00 0.00 42.46 39.76 2p5t s ILE 63 CO 0.04 -0.43 0.23 -0.62 0.00 0.00 0.00 174.94 174.16 2p5t s ASP 64 N 1.10 5.53 0.34 3.58 2.15 -1.26 -3.06 116.67 125.05 2p5t s ASP 64 Ca 0.04 -1.54 0.13 0.00 0.43 0.00 0.00 52.55 51.61 2p5t s ASP 64 Cb -0.20 -1.94 1.03 0.00 -0.30 0.00 0.00 42.92 41.51 2p5t s ASP 64 CO -0.06 -0.51 1.69 1.23 -0.17 0.00 0.00 175.17 177.34 2p5t h GLY 65 N 8.33 1.99 1.04 2.66 0.00 -1.93 -1.58 103.07 113.57 2p5t h GLY 65 Ca -0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 2p5t h GLY 65 CO 0.73 -0.40 0.42 -0.55 0.00 0.00 0.00 176.54 176.74 2p5t h ASP 66 N 0.41 1.12 0.00 0.19 3.32 -1.95 -2.36 116.42 117.15 2p5t h ASP 66 Ca 0.70 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.62 2p5t h ASP 66 Cb 1.54 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 2p5t h ASP 66 CO -0.55 0.94 -0.00 0.77 -1.72 0.00 0.00 179.24 178.68 2p5t h SER 67 N 1.23 0.00 0.00 6.45 4.64 -1.72 -2.51 113.55 121.64 2p5t h SER 67 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2p5t h SER 67 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2p5t h SER 67 CO -0.04 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.41 2p5t n PHE 68 N -4.18 0.00 -0.05 4.77 3.72 -0.89 -3.93 117.46 116.89 2p5t n PHE 68 Ca -0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.24 2p5t n PHE 68 Cb 0.09 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 2p5t n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2p5t h ARG 69 N 0.00 0.32 0.00 -1.08 3.08 -1.59 -3.04 114.38 112.07 2p5t h ARG 69 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2p5t h ARG 69 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2p5t h ARG 69 CO 0.00 0.66 0.00 0.77 -1.07 0.00 0.00 179.97 180.33 2p5t h SER 70 N -0.02 0.00 -0.00 7.04 0.02 -1.82 -2.24 113.55 116.53 2p5t h SER 70 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2p5t h SER 70 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2p5t h SER 70 CO 0.02 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.71 2p5t n GLN 71 N -2.85 1.00 -1.99 3.45 6.02 -1.15 -4.68 117.38 117.18 2p5t n GLN 71 Ca -0.02 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 2p5t n GLN 71 Cb 0.09 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 2p5t n GLN 71 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2p5t s HIS 72 N -2.00 2.13 0.07 1.08 2.46 -0.84 -4.86 115.29 113.32 2p5t s HIS 72 Ca 0.36 0.25 0.06 0.00 0.47 0.00 0.00 55.06 56.19 2p5t s HIS 72 Cb 0.17 -3.92 0.30 0.00 -0.13 0.00 0.00 32.58 29.00 2p5t s HIS 72 CO 0.28 -3.81 0.96 -2.30 -2.47 0.00 0.00 174.74 167.40 2p5t n PRO 73 N 6.62 0.04 -2.19 2.88 -0.02 -1.26 -0.36 135.00 140.72 2p5t n PRO 73 Ca 0.17 0.45 -0.02 0.00 -2.02 0.00 0.00 63.50 62.08 2p5t n PRO 73 Cb 0.42 -2.11 0.05 0.00 -0.02 0.00 0.00 33.50 31.84 2p5t n PRO 73 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2p5t n HIS 74 N -1.75 1.00 0.10 6.00 8.25 -1.26 -4.91 115.22 122.65 2p5t n HIS 74 Ca -0.00 -1.64 -0.12 0.00 -0.26 0.00 0.00 57.72 55.70 2p5t n HIS 74 Cb 0.48 -0.22 -0.05 0.00 1.12 0.00 0.00 29.99 31.32 2p5t n HIS 74 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2p5t h TYR 75 N 1.98 -0.57 -0.81 4.41 3.20 -0.97 -2.10 116.97 122.11 2p5t h TYR 75 Ca -0.09 0.01 0.18 0.00 3.14 0.00 0.00 58.73 61.98 2p5t h TYR 75 Cb 1.46 0.24 -0.12 0.00 1.54 0.00 0.00 36.73 39.86 2p5t h TYR 75 CO 0.47 -0.31 0.27 -0.07 -1.64 0.00 0.00 178.16 176.88 2p5t h LEU 76 N -0.39 0.14 -0.60 2.82 3.38 -1.90 0.15 115.31 118.91 2p5t h LEU 76 Ca 0.03 0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2p5t h LEU 76 Cb 0.43 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2p5t h LEU 76 CO -0.14 -0.02 0.04 -0.33 0.09 0.00 0.00 178.44 178.08 2p5t h GLU 77 N 0.33 1.03 0.00 1.13 4.39 -1.88 -0.87 114.58 118.70 2p5t h GLU 77 Ca 0.48 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 2p5t h GLU 77 Cb 0.85 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2p5t h GLU 77 CO -0.52 0.99 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.04 2p5t h LEU 78 N 0.93 0.00 0.23 1.33 3.38 -0.35 -3.08 115.31 117.76 2p5t h LEU 78 Ca 0.18 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.82 2p5t h LEU 78 Cb 0.50 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.28 2p5t h LEU 78 CO 0.02 0.21 -1.46 -0.61 0.09 0.00 0.00 178.44 176.69 2p5t h GLN 79 N 0.00 0.49 -1.03 1.13 4.15 -0.60 -2.09 115.11 117.15 2p5t h GLN 79 Ca -0.00 -0.83 0.00 0.00 0.77 0.00 0.00 58.65 58.59 2p5t h GLN 79 Cb 1.00 0.31 0.00 0.00 0.21 0.00 0.00 27.48 29.00 2p5t h GLN 79 CO 0.03 1.40 0.00 1.04 -1.93 0.00 0.00 178.83 179.36 2p5t n GLN 80 N -3.67 0.62 0.00 1.69 6.02 -0.35 -4.07 117.38 117.61 2p5t n GLN 80 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 2p5t n GLN 80 Cb 1.09 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 31.11 2p5t n GLN 80 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2p5t n GLU 81 N 0.46 0.00 -1.87 -1.09 0.28 -1.23 -5.02 120.64 112.17 2p5t n GLU 81 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 2p5t n GLU 81 Cb 0.24 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.06 2p5t n GLU 81 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2p5t s TYR 82 N -0.36 1.51 0.41 -1.84 2.02 -0.79 -4.82 117.35 113.48 2p5t s TYR 82 Ca 0.00 1.11 0.16 0.00 -0.37 0.00 0.00 57.07 57.97 2p5t s TYR 82 Cb 0.00 -3.85 1.04 0.00 -0.40 0.00 0.00 41.96 38.74 2p5t s TYR 82 CO 0.00 -1.97 1.85 0.78 -1.57 0.00 0.00 175.55 174.65 2p5t h GLY 83 N 18.79 0.95 0.00 0.71 0.00 -1.82 -3.34 103.07 118.36 2p5t h GLY 83 Ca -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2p5t h GLY 83 CO 1.16 0.00 0.00 0.58 0.00 0.00 0.00 176.54 178.28 2p5t n LYS 84 N -4.53 3.34 -0.20 4.80 2.85 -1.26 -3.43 118.16 119.74 2p5t n LYS 84 Ca 0.19 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.42 2p5t n LYS 84 Cb 0.66 -0.29 0.04 0.00 -0.65 0.00 0.00 35.03 34.79 2p5t n LYS 84 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2p5t n ASP 85 N -0.03 2.80 -0.07 -5.58 10.43 -1.26 -3.89 116.55 118.95 2p5t n ASP 85 Ca 0.00 -2.25 0.14 0.00 2.57 0.00 0.00 54.79 55.25 2p5t n ASP 85 Cb 0.00 -0.55 0.56 0.00 1.84 0.00 0.00 41.12 42.97 2p5t n ASP 85 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 2p5t n SER 86 N 0.19 0.36 -0.20 -2.24 3.41 -1.25 -4.34 113.62 109.54 2p5t n SER 86 Ca 0.09 -0.28 -0.07 0.00 -0.26 0.00 0.00 58.87 58.35 2p5t n SER 86 Cb 0.63 -0.12 0.03 0.00 -0.26 0.00 0.00 64.21 64.49 2p5t n SER 86 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2p5t h VAL 87 N 0.33 1.19 0.00 -3.33 2.07 -1.93 -2.49 116.25 112.09 2p5t h VAL 87 Ca 0.00 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2p5t h VAL 87 Cb 0.41 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2p5t h VAL 87 CO 0.00 0.21 0.00 -0.33 0.02 0.00 0.00 177.57 177.47 2p5t h GLU 88 N 0.78 0.00 0.00 1.57 3.07 -1.93 -0.24 114.58 117.83 2p5t h GLU 88 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 2p5t h GLU 88 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2p5t h GLU 88 CO -0.03 0.00 -0.76 0.66 -1.40 0.00 0.00 179.01 177.47 2p5t n TYR 89 N -2.31 0.13 -0.09 4.33 4.01 -1.00 -4.26 117.16 117.97 2p5t n TYR 89 Ca 0.03 0.04 -0.10 0.00 -0.16 0.00 0.00 57.90 57.71 2p5t n TYR 89 Cb 0.29 -0.30 -0.12 0.00 -0.31 0.00 0.00 39.34 38.90 2p5t n TYR 89 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2p5t n THR 90 N -1.69 1.16 0.24 -0.72 -2.24 -0.76 -4.51 114.28 105.76 2p5t n THR 90 Ca 0.04 -0.65 0.13 0.00 -2.27 0.00 0.00 64.05 61.30 2p5t n THR 90 Cb 0.37 -0.73 0.51 0.00 -2.10 0.00 0.00 70.33 68.39 2p5t n THR 90 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2p5t h LYS 91 N 0.00 0.00 -0.34 -0.78 1.63 -1.26 0.40 116.57 116.22 2p5t h LYS 91 Ca -0.46 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.39 2p5t h LYS 91 Cb 1.96 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 33.55 2p5t h LYS 91 CO 0.00 0.13 0.09 0.22 -3.45 0.00 0.00 179.45 176.44 2p5t h ASP 92 N 0.00 0.07 0.13 4.20 3.58 -1.79 -1.04 116.42 121.57 2p5t h ASP 92 Ca -0.00 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2p5t h ASP 92 Cb 0.70 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2p5t h ASP 92 CO 0.02 0.08 -0.06 0.15 -2.88 0.00 0.00 179.24 176.54 2p5t h PHE 93 N 0.22 -0.16 -0.49 0.28 3.04 -1.59 -3.32 116.94 114.92 2p5t h PHE 93 Ca 0.16 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.16 2p5t h PHE 93 Cb 0.15 0.05 -0.05 0.00 2.56 0.00 0.00 35.95 38.67 2p5t h PHE 93 CO -0.16 0.30 0.21 0.00 -2.02 0.00 0.00 178.31 176.64 2p5t h ALA 94 N -0.08 0.61 -0.33 2.41 0.00 -0.23 -2.06 119.26 119.59 2p5t h ALA 94 Ca -0.02 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2p5t h ALA 94 Cb 0.54 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2p5t h ALA 94 CO 0.03 -0.16 0.17 0.78 0.00 0.00 0.00 179.25 180.06 2p5t h GLY 95 N 0.41 0.45 2.00 0.00 0.00 -1.34 -1.59 103.07 103.00 2p5t h GLY 95 Ca 0.22 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 2p5t h GLY 95 CO -0.19 0.10 -0.33 0.50 0.00 0.00 0.00 176.54 176.61 2p5t h LYS 96 N 0.35 0.00 -0.56 4.80 1.57 -1.60 0.55 116.57 121.68 2p5t h LYS 96 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2p5t h LYS 96 Cb 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2p5t h LYS 96 CO -0.09 0.33 0.37 1.98 -0.57 0.00 0.00 179.45 181.46 2p5t h MET 97 N 0.00 0.74 -0.31 3.15 4.05 -0.68 -1.09 114.93 120.79 2p5t h MET 97 Ca -0.00 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 2p5t h MET 97 Cb 0.63 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 2p5t h MET 97 CO 0.04 0.49 0.10 0.28 0.23 0.00 0.00 176.91 178.06 2p5t h VAL 98 N 0.75 1.20 -0.12 -5.77 2.07 -0.35 -2.07 116.25 111.97 2p5t h VAL 98 Ca 0.20 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.13 2p5t h VAL 98 Cb -0.08 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 2p5t h VAL 98 CO -0.04 0.21 -0.50 -0.33 0.02 0.00 0.00 177.57 176.93 2p5t h GLU 99 N 0.34 -0.54 -0.61 1.57 5.08 -0.67 0.10 114.58 119.85 2p5t h GLU 99 Ca 0.10 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2p5t h GLU 99 Cb 0.23 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2p5t h GLU 99 CO -0.00 -0.36 0.30 0.77 -1.00 0.00 0.00 179.01 178.72 2p5t h SER 100 N -0.56 0.76 -0.12 1.42 0.02 -1.21 -1.21 113.55 112.65 2p5t h SER 100 Ca 0.05 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 2p5t h SER 100 Cb 0.67 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 2p5t h SER 100 CO -0.42 0.64 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.75 2p5t h LEU 101 N 0.85 0.29 -0.37 5.07 3.38 -0.92 -1.81 115.31 121.80 2p5t h LEU 101 Ca 0.21 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2p5t h LEU 101 Cb 0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2p5t h LEU 101 CO -0.03 0.69 0.20 0.58 0.09 0.00 0.00 178.44 179.97 2p5t h VAL 102 N -0.11 1.14 0.35 1.22 2.07 -0.65 -1.99 116.25 118.28 2p5t h VAL 102 Ca 0.02 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2p5t h VAL 102 Cb 0.60 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2p5t h VAL 102 CO 0.02 0.15 -0.37 0.74 0.02 0.00 0.00 177.57 178.14 2p5t h THR 103 N 0.47 0.00 -0.33 2.57 2.02 -1.23 -0.19 112.91 116.22 2p5t h THR 103 Ca 0.13 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 2p5t h THR 103 Cb 0.06 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 2p5t h THR 103 CO -0.02 0.00 0.18 0.50 0.37 0.00 0.00 175.52 176.55 2p5t h LYS 104 N -0.72 0.46 -0.11 6.66 1.63 -1.34 -1.63 116.57 121.52 2p5t h LYS 104 Ca -0.04 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.59 2p5t h LYS 104 Cb 0.63 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 2p5t h LYS 104 CO -0.05 0.39 -0.41 -0.07 -3.45 0.00 0.00 179.45 175.87 2p5t h LEU 105 N 0.41 0.24 -1.14 5.20 3.38 -1.39 -1.61 115.31 120.40 2p5t h LEU 105 Ca 0.12 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2p5t h LEU 105 Cb 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2p5t h LEU 105 CO -0.02 0.63 -0.32 0.77 0.09 0.00 0.00 178.44 179.60 2p5t h SER 106 N 0.20 0.00 -0.22 -0.43 4.64 -0.70 0.62 113.55 117.65 2p5t h SER 106 Ca 0.02 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.13 2p5t h SER 106 Cb 0.81 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2p5t h SER 106 CO 0.06 0.32 -0.67 0.28 -0.87 0.00 0.00 176.83 175.95 2p5t h SER 107 N 0.00 0.97 0.23 4.97 0.02 -0.76 -3.26 113.55 115.72 2p5t h SER 107 Ca -0.00 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 2p5t h SER 107 Cb 0.77 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2p5t h SER 107 CO 0.04 1.38 -0.08 0.18 -1.14 0.00 0.00 176.83 177.22 2p5t n LEU 108 N -3.97 0.59 -1.97 5.07 4.77 -0.66 -4.95 117.00 115.88 2p5t n LEU 108 Ca -0.06 -0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 55.72 2p5t n LEU 108 Cb 0.69 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.70 2p5t n LEU 108 CO 0.52 0.10 0.12 0.61 -1.33 0.00 0.00 177.39 177.41 2p5t n GLY 109 N 1.22 0.24 3.90 -0.72 0.00 0.17 -4.58 105.19 105.43 2p5t n GLY 109 Ca 0.17 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 2p5t n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2p5t s TYR 110 N -3.15 3.20 -0.06 1.61 2.02 -1.02 0.04 117.35 119.99 2p5t s TYR 110 Ca 0.27 0.78 -0.25 0.00 -0.37 0.00 0.00 57.07 57.50 2p5t s TYR 110 Cb -0.12 -3.00 -0.03 0.00 -0.40 0.00 0.00 41.96 38.41 2p5t s TYR 110 CO 0.34 -1.13 0.77 -0.80 -1.57 0.00 0.00 175.55 173.16 2p5t s ASN 111 N -4.38 7.07 -0.05 2.29 0.02 -1.26 -4.43 114.94 114.19 2p5t s ASN 111 Ca 0.57 1.29 0.05 0.00 -1.02 0.00 0.00 52.86 53.75 2p5t s ASN 111 Cb -0.11 -2.45 -0.01 0.00 0.02 0.00 0.00 41.25 38.71 2p5t s ASN 111 CO 0.48 -0.17 -0.22 -0.76 0.02 0.00 0.00 177.10 176.45 2p5t s LEU 112 N 0.98 2.01 -0.23 0.60 1.43 -0.18 0.62 118.68 123.91 2p5t s LEU 112 Ca 0.41 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2p5t s LEU 112 Cb -0.18 -1.22 0.05 0.00 0.03 0.00 0.00 46.19 44.87 2p5t s LEU 112 CO 0.20 0.21 -0.11 -0.22 0.23 0.00 0.00 176.35 176.66 2p5t s LEU 113 N -0.08 2.87 -0.20 1.79 2.96 0.67 -0.05 118.68 126.64 2p5t s LEU 113 Ca -0.04 -1.16 -0.02 0.00 -0.22 0.00 0.00 54.13 52.69 2p5t s LEU 113 Cb -0.13 -1.40 -0.00 0.00 0.50 0.00 0.00 46.19 45.15 2p5t s LEU 113 CO 0.03 -0.17 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.18 2p5t s ILE 114 N 1.24 3.01 -0.19 6.68 1.01 0.64 -1.29 121.20 132.29 2p5t s ILE 114 Ca -0.05 -0.62 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 2p5t s ILE 114 Cb -0.18 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 2p5t s ILE 114 CO -0.07 0.46 1.70 -1.61 0.00 0.00 0.00 174.94 175.43 2p5t s GLU 115 N 1.31 3.77 0.02 2.79 0.41 -1.17 -0.86 118.70 124.97 2p5t s GLU 115 Ca 0.04 1.79 0.00 0.00 -0.41 0.00 0.00 54.97 56.39 2p5t s GLU 115 Cb -0.14 -4.08 -0.04 0.00 -1.78 0.00 0.00 34.13 28.09 2p5t s GLU 115 CO -0.05 -1.33 0.11 0.20 -0.49 0.00 0.00 175.26 173.71 2p5t s GLY 116 N 4.62 2.07 -1.29 -1.39 0.00 0.02 -4.80 107.32 106.55 2p5t s GLY 116 Ca 0.76 -0.88 -0.12 0.00 0.00 0.00 0.00 44.72 44.47 2p5t s GLY 116 CO 0.31 -0.80 1.79 2.41 0.00 0.00 0.00 173.10 176.81 2p5t n THR 117 N 0.87 4.15 1.66 0.90 -1.04 -1.26 -4.65 114.28 114.91 2p5t n THR 117 Ca -0.11 -4.26 0.15 0.00 -2.04 0.00 0.00 64.05 57.79 2p5t n THR 117 Cb 0.52 -2.42 0.82 0.00 -1.82 0.00 0.00 70.33 67.43 2p5t n THR 117 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2p5t n LEU 118 N 5.15 0.00 0.20 -4.42 7.94 -1.26 -2.15 117.00 122.46 2p5t n LEU 118 Ca 0.42 0.12 0.14 0.00 -1.11 0.00 0.00 56.01 55.58 2p5t n LEU 118 Cb 0.39 -0.12 0.53 0.00 0.53 0.00 0.00 43.42 44.76 2p5t n LEU 118 CO 0.77 -0.01 0.92 0.08 -1.11 0.00 0.00 177.39 178.04 2p5t h ARG 119 N 0.00 0.00 -6.46 1.96 0.11 -1.90 -3.42 114.38 104.66 2p5t h ARG 119 Ca 0.00 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 59.41 2p5t h ARG 119 Cb 0.11 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 31.01 2p5t h ARG 119 CO 0.00 0.00 -0.74 0.99 0.10 0.00 0.00 179.97 180.32 2p5t s THR 120 N -3.44 3.34 -0.03 0.08 2.01 -0.92 -4.88 115.64 111.82 2p5t s THR 120 Ca 0.04 -1.08 -0.18 0.00 0.31 0.00 0.00 61.69 60.78 2p5t s THR 120 Cb 0.09 -2.49 -0.33 0.00 0.01 0.00 0.00 72.50 69.78 2p5t s THR 120 CO 0.51 0.26 0.88 0.58 -0.69 0.00 0.00 174.62 176.16 2p5t h VAL 121 N 3.57 1.33 0.35 3.82 2.07 -1.84 -3.42 116.25 122.14 2p5t h VAL 121 Ca -0.48 -2.58 -0.02 0.00 0.82 0.00 0.00 66.70 64.44 2p5t h VAL 121 Cb 1.16 3.06 0.00 0.00 -1.52 0.00 0.00 31.29 34.00 2p5t h VAL 121 CO 0.52 0.76 -0.17 -2.24 0.02 0.00 0.00 177.57 176.46 2p5t h ASP 122 N -0.14 -0.40 -0.65 0.57 3.04 -1.97 -3.26 116.42 113.61 2p5t h ASP 122 Ca -0.22 -0.07 0.06 0.00 -3.24 0.00 0.00 57.03 53.56 2p5t h ASP 122 Cb 1.89 0.10 -0.08 0.00 -1.04 0.00 0.00 39.33 40.20 2p5t h ASP 122 CO 0.19 0.05 -0.37 0.52 -2.04 0.00 0.00 179.24 177.60 2p5t n VAL 123 N -5.09 -0.43 -0.07 4.15 0.31 -1.26 -0.63 118.33 115.31 2p5t n VAL 123 Ca -0.07 1.57 -0.10 0.00 -0.01 0.00 0.00 64.34 65.72 2p5t n VAL 123 Cb 0.23 -1.96 -0.04 0.00 -0.91 0.00 0.00 33.84 31.17 2p5t n VAL 123 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2p5t h PRO 124 N 0.00 0.36 -0.20 5.55 0.11 -1.82 -2.31 132.00 133.68 2p5t h PRO 124 Ca 0.12 -0.07 0.06 0.00 0.11 0.00 0.00 66.00 66.22 2p5t h PRO 124 Cb 0.28 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.27 2p5t h PRO 124 CO -0.62 0.41 -0.32 -0.22 -0.21 0.00 0.00 178.00 177.04 2p5t h LYS 125 N 0.23 -0.35 0.00 1.05 3.64 -0.91 0.16 116.57 120.39 2p5t h LYS 125 Ca 0.08 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2p5t h LYS 125 Cb 0.19 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2p5t h LYS 125 CO -0.01 -0.23 -0.01 0.87 -2.27 0.00 0.00 179.45 177.80 2p5t h LYS 126 N -0.36 0.00 0.00 1.90 1.79 -1.05 -2.05 116.57 116.80 2p5t h LYS 126 Ca 0.11 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 2p5t h LYS 126 Cb 0.54 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2p5t h LYS 126 CO -0.40 0.01 -0.04 1.15 -1.08 0.00 0.00 179.45 179.09 2p5t h THR 127 N 0.00 1.32 -0.01 -0.16 2.02 -0.53 -3.20 112.91 112.34 2p5t h THR 127 Ca -0.00 -2.00 -0.04 0.00 0.77 0.00 0.00 66.41 65.13 2p5t h THR 127 Cb 0.27 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 2p5t h THR 127 CO 0.00 0.45 -0.20 0.00 0.37 0.00 0.00 175.52 176.14 2p5t h ALA 128 N -0.27 1.64 -0.04 6.16 0.00 -0.93 -1.53 119.26 124.30 2p5t h ALA 128 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2p5t h ALA 128 Cb 0.76 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2p5t h ALA 128 CO -0.01 0.27 0.02 1.96 0.00 0.00 0.00 179.25 181.49 2p5t h GLN 129 N 0.02 0.05 0.00 0.00 4.20 -1.50 0.22 115.11 118.09 2p5t h GLN 129 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2p5t h GLN 129 Cb 0.37 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2p5t h GLN 129 CO 0.03 0.13 0.00 -0.07 -0.67 0.00 0.00 178.83 178.24 2p5t h LEU 130 N -0.03 0.00 0.16 1.46 3.38 -1.46 -2.98 115.31 115.83 2p5t h LEU 130 Ca 0.01 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.65 2p5t h LEU 130 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2p5t h LEU 130 CO -0.00 0.00 -1.62 -0.07 0.09 0.00 0.00 178.44 176.84 2p5t h LEU 131 N 0.00 0.53 -0.59 1.67 3.38 -0.75 -3.34 115.31 116.21 2p5t h LEU 131 Ca 0.00 -0.74 -0.15 0.00 0.09 0.00 0.00 57.88 57.08 2p5t h LEU 131 Cb 0.47 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2p5t h LEU 131 CO 0.00 1.62 -0.48 0.50 0.09 0.00 0.00 178.44 180.17 2p5t h LYS 132 N 0.09 0.56 -0.79 1.13 3.64 -0.47 -2.92 116.57 117.82 2p5t h LYS 132 Ca -0.29 -0.32 0.13 0.00 -1.27 0.00 0.00 60.65 58.90 2p5t h LYS 132 Cb 2.07 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 33.82 2p5t h LYS 132 CO 0.18 0.92 0.39 -0.91 -2.27 0.00 0.00 179.45 177.76 2p5t h ASN 133 N 0.45 0.47 0.49 4.20 4.21 -1.69 -0.35 115.58 123.36 2p5t h ASN 133 Ca 0.02 0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.62 2p5t h ASN 133 Cb 1.00 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.21 2p5t h ASN 133 CO 0.09 0.22 0.00 0.29 -1.29 0.00 0.00 177.43 176.74 2p5t n LYS 134 N -4.89 0.11 -0.27 0.81 4.76 -1.15 -4.86 118.16 112.68 2p5t n LYS 134 Ca 0.15 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 2p5t n LYS 134 Cb 0.37 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 2p5t n LYS 134 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2p5t n GLY 135 N -0.33 0.76 3.54 0.72 0.00 -0.14 -5.03 105.19 104.71 2p5t n GLY 135 Ca 0.02 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2p5t n GLY 135 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2p5t s TYR 136 N -1.71 3.06 -0.42 1.61 2.02 -1.11 -4.34 117.35 116.47 2p5t s TYR 136 Ca 0.00 -0.18 -0.28 0.00 -0.37 0.00 0.00 57.07 56.23 2p5t s TYR 136 Cb 0.00 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 2p5t s TYR 136 CO 0.00 0.06 1.54 -2.00 -1.57 0.00 0.00 175.55 173.59 2p5t s GLU 137 N 0.16 3.43 -0.22 -0.62 2.12 -0.90 -4.46 118.70 118.20 2p5t s GLU 137 Ca -0.01 1.00 -0.07 0.00 0.36 0.00 0.00 54.97 56.25 2p5t s GLU 137 Cb -0.13 -4.10 -0.03 0.00 0.26 0.00 0.00 34.13 30.12 2p5t s GLU 137 CO 0.02 -1.75 0.06 0.08 -0.54 0.00 0.00 175.26 173.14 2p5t s VAL 138 N 6.09 4.48 0.24 3.70 1.01 -1.26 -1.41 120.40 133.25 2p5t s VAL 138 Ca 0.66 -0.13 0.12 0.00 0.00 0.00 0.00 61.98 62.63 2p5t s VAL 138 Cb -0.16 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 2p5t s VAL 138 CO 0.32 0.38 -0.21 -1.10 0.00 0.00 0.00 175.10 174.49 2p5t s GLN 139 N 1.13 1.62 -0.15 2.72 -0.21 0.64 -1.35 119.66 124.06 2p5t s GLN 139 Ca 0.04 -1.66 -0.04 0.00 0.02 0.00 0.00 55.36 53.72 2p5t s GLN 139 Cb -0.14 -1.81 -0.03 0.00 1.00 0.00 0.00 33.01 32.03 2p5t s GLN 139 CO 0.03 0.36 -0.02 -1.17 -2.12 0.00 0.00 175.29 172.37 2p5t s LEU 140 N -3.15 3.33 -0.33 2.90 2.96 -0.13 -1.14 118.68 123.12 2p5t s LEU 140 Ca 0.26 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 2p5t s LEU 140 Cb -0.06 -1.80 0.10 0.00 0.50 0.00 0.00 46.19 44.92 2p5t s LEU 140 CO 0.13 0.19 0.06 0.00 -1.32 0.00 0.00 176.35 175.40 2p5t s ALA 141 N 0.26 2.45 0.06 5.97 0.00 0.11 -0.32 121.76 130.30 2p5t s ALA 141 Ca -0.02 -2.22 -0.10 0.00 0.00 0.00 0.00 51.96 49.62 2p5t s ALA 141 Cb -0.14 -1.84 -0.06 0.00 0.00 0.00 0.00 23.12 21.09 2p5t s ALA 141 CO 0.03 -1.65 0.39 -0.51 0.00 0.00 0.00 175.76 174.01 2p5t s LEU 142 N 1.14 4.36 -0.11 0.00 1.43 0.11 -2.65 118.68 122.96 2p5t s LEU 142 Ca 0.10 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 2p5t s LEU 142 Cb -0.18 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.10 2p5t s LEU 142 CO -0.13 0.19 -0.12 -0.51 0.23 0.00 0.00 176.35 176.01 2p5t s ILE 143 N -1.36 3.13 -0.04 -0.59 1.10 -1.04 0.26 121.20 122.66 2p5t s ILE 143 Ca 0.32 -0.65 -0.00 0.00 -0.51 0.00 0.00 60.65 59.81 2p5t s ILE 143 Cb -0.14 -2.30 0.03 0.00 0.15 0.00 0.00 42.46 40.19 2p5t s ILE 143 CO 0.17 0.54 0.00 0.00 -2.11 0.00 0.00 174.94 173.54 2p5t s ALA 144 N 0.10 0.39 0.34 1.50 0.00 -0.37 -4.41 121.76 119.32 2p5t s ALA 144 Ca -0.05 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.08 2p5t s ALA 144 Cb -0.15 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 2p5t s ALA 144 CO 0.04 -0.17 0.24 0.95 0.00 0.00 0.00 175.76 176.82 2p5t s THR 145 N 1.28 0.12 -0.02 0.00 -4.23 -1.26 -4.46 115.64 107.08 2p5t s THR 145 Ca -0.06 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.11 2p5t s THR 145 Cb -0.13 -2.46 -0.12 0.00 1.34 0.00 0.00 72.50 71.13 2p5t s THR 145 CO -0.02 0.00 1.81 0.29 -0.54 0.00 0.00 174.62 176.16 2p5t n LYS 146 N -0.68 2.22 -0.43 3.99 4.76 -1.26 -4.73 118.16 122.04 2p5t n LYS 146 Ca 0.04 0.81 0.37 0.00 -2.87 0.00 0.00 58.31 56.67 2p5t n LYS 146 Cb 0.63 -2.65 0.64 0.00 -1.84 0.00 0.00 35.03 31.81 2p5t n LYS 146 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2p5t n PRO 147 N 5.90 -0.04 0.48 1.97 -0.02 -1.26 -1.41 135.00 140.61 2p5t n PRO 147 Ca 0.21 1.25 -0.20 0.00 -2.02 0.00 0.00 63.50 62.75 2p5t n PRO 147 Cb 0.30 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.27 2p5t n PRO 147 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2p5t h GLU 148 N 0.00 -1.16 -0.82 -0.52 4.57 -1.97 0.22 114.58 114.90 2p5t h GLU 148 Ca 0.85 0.08 0.18 0.00 -1.18 0.00 0.00 59.36 59.29 2p5t h GLU 148 Cb 2.64 0.26 -0.06 0.00 -0.16 0.00 0.00 28.75 31.44 2p5t h GLU 148 CO -0.53 -0.77 0.55 -0.07 -1.18 0.00 0.00 179.01 177.01 2p5t h LEU 149 N -1.20 0.38 0.45 1.64 3.38 -1.61 0.32 115.31 118.67 2p5t h LEU 149 Ca -0.12 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2p5t h LEU 149 Cb 0.92 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2p5t h LEU 149 CO 0.20 0.18 -0.21 -1.28 0.09 0.00 0.00 178.44 177.41 2p5t h SER 150 N 0.39 -0.51 -0.41 -0.43 0.87 -1.17 -1.17 113.55 111.14 2p5t h SER 150 Ca 0.42 -0.07 0.11 0.00 -1.23 0.00 0.00 61.79 61.02 2p5t h SER 150 Cb 1.02 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 2p5t h SER 150 CO -0.14 -0.23 0.29 1.88 -0.53 0.00 0.00 176.83 178.11 2p5t h TYR 151 N -0.78 0.03 0.06 2.24 0.05 1.00 -2.63 116.97 116.92 2p5t h TYR 151 Ca -0.06 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 2p5t h TYR 151 Cb 0.54 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.28 2p5t h TYR 151 CO -0.01 0.01 -0.03 1.25 -1.05 0.00 0.00 178.16 178.34 2p5t h LEU 152 N 0.03 -0.06 -1.84 3.88 5.85 -0.11 -3.08 115.31 119.97 2p5t h LEU 152 Ca 0.19 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.48 2p5t h LEU 152 Cb 0.74 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2p5t h LEU 152 CO -0.01 0.43 0.14 0.28 -0.34 0.00 0.00 178.44 178.95 2p5t h SER 153 N -0.58 0.18 -0.04 1.25 0.02 -0.86 0.03 113.55 113.56 2p5t h SER 153 Ca -0.01 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 2p5t h SER 153 Cb 0.51 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2p5t h SER 153 CO 0.01 0.13 -0.19 0.74 -1.14 0.00 0.00 176.83 176.38 2p5t h THR 154 N 0.21 1.24 0.16 -2.27 2.02 -1.54 0.16 112.91 112.89 2p5t h THR 154 Ca 0.09 -1.08 -0.30 0.00 0.77 0.00 0.00 66.41 65.89 2p5t h THR 154 Cb 0.09 1.27 0.02 0.00 -1.74 0.00 0.00 68.15 67.79 2p5t h THR 154 CO -0.02 0.34 -1.30 -0.07 0.37 0.00 0.00 175.52 174.84 2p5t h LEU 155 N 0.37 0.65 -0.06 2.58 3.38 -0.98 -1.72 115.31 119.53 2p5t h LEU 155 Ca 0.06 -0.66 0.03 0.00 0.09 0.00 0.00 57.88 57.40 2p5t h LEU 155 Cb 0.54 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2p5t h LEU 155 CO 0.04 1.51 -0.14 0.40 0.09 0.00 0.00 178.44 180.33 2p5t h ILE 156 N 0.14 0.64 -0.56 1.22 1.08 -0.89 -2.20 117.51 116.94 2p5t h ILE 156 Ca -0.18 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.37 2p5t h ILE 156 Cb 2.00 0.64 -0.07 0.00 -3.07 0.00 0.00 36.82 36.32 2p5t h ILE 156 CO 0.23 0.00 0.20 -0.09 -0.69 0.00 0.00 178.15 177.80 2p5t h ARG 157 N -0.21 0.37 0.00 2.37 9.65 -0.69 -2.05 114.38 123.82 2p5t h ARG 157 Ca 0.07 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 2p5t h ARG 157 Cb 0.30 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 2p5t h ARG 157 CO -0.18 0.24 0.00 -0.92 2.80 0.00 0.00 179.97 181.91 2p5t h TYR 158 N 0.38 0.00 -0.00 2.20 3.20 -1.13 0.19 116.97 121.81 2p5t h TYR 158 Ca 0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.15 2p5t h TYR 158 Cb 0.32 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.59 2p5t h TYR 158 CO -0.17 0.00 -0.44 0.39 -1.64 0.00 0.00 178.16 176.30 2p5t n GLU 159 N -2.85 0.13 -0.07 1.82 -0.58 -0.80 -3.36 120.64 114.93 2p5t n GLU 159 Ca 0.01 -0.07 -0.04 0.00 -0.42 0.00 0.00 57.16 56.63 2p5t n GLU 159 Cb 0.28 -1.50 -0.16 0.00 -0.57 0.00 0.00 31.44 29.49 2p5t n GLU 159 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2p5t n GLU 160 N -1.37 0.68 0.00 3.49 1.02 -0.50 -3.94 120.64 120.02 2p5t n GLU 160 Ca 0.07 -0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.28 2p5t n GLU 160 Cb 0.34 -1.55 0.54 0.00 -0.02 0.00 0.00 31.44 30.75 2p5t n GLU 160 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2p5t n LEU 161 N -2.65 0.00 -0.01 -4.62 4.77 0.54 -2.78 117.00 112.25 2p5t n LEU 161 Ca -0.24 0.22 0.07 0.00 -0.03 0.00 0.00 56.01 56.03 2p5t n LEU 161 Cb 0.99 -0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 41.75 2p5t n LEU 161 CO 0.44 -0.07 -0.64 0.00 -1.33 0.00 0.00 177.39 175.79 2p5t n TYR 162 N -1.22 0.00 -0.03 -1.77 9.36 -1.21 -4.38 117.16 117.91 2p5t n TYR 162 Ca 0.11 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.21 2p5t n TYR 162 Cb 0.14 -0.32 -0.08 0.00 -0.63 0.00 0.00 39.34 38.45 2p5t n TYR 162 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2p5t h ILE 163 N 0.00 1.32 0.00 2.97 2.04 -1.64 -3.35 117.51 118.85 2p5t h ILE 163 Ca 0.00 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.83 2p5t h ILE 163 Cb 0.66 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2p5t h ILE 163 CO 0.00 0.28 0.00 -0.38 0.00 0.00 0.00 178.15 178.05 2p5t n ILE 164 N -4.78 0.00 -4.15 -0.67 5.41 -1.22 -4.75 119.36 109.21 2p5t n ILE 164 Ca -0.07 0.50 -0.33 0.00 1.00 0.00 0.00 62.75 63.85 2p5t n ILE 164 Cb 0.25 -1.39 -0.15 0.00 -0.71 0.00 0.00 39.64 37.64 2p5t n ILE 164 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2p5t s ASN 165 N -2.22 3.46 0.57 4.38 3.84 -1.26 -4.98 114.94 118.72 2p5t s ASN 165 Ca 0.00 -0.57 0.27 0.00 0.21 0.00 0.00 52.86 52.77 2p5t s ASN 165 Cb 0.00 -1.55 1.51 0.00 -0.55 0.00 0.00 41.25 40.66 2p5t s ASN 165 CO 0.00 0.01 2.02 -0.65 -2.79 0.00 0.00 177.10 175.69 2p5t h PRO 166 N 7.87 0.00 -3.86 0.43 0.11 -1.85 -3.26 132.00 131.43 2p5t h PRO 166 Ca -0.43 0.00 -0.78 0.00 0.11 0.00 0.00 66.00 64.90 2p5t h PRO 166 Cb 1.15 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.01 2p5t h PRO 166 CO 0.62 0.00 0.70 0.09 -0.21 0.00 0.00 178.00 179.20 2p5t n ASN 167 N -4.02 5.46 0.00 -2.05 3.02 -1.26 -5.02 115.26 111.39 2p5t n ASN 167 Ca 0.06 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.58 2p5t n ASN 167 Cb 0.49 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.23 2p5t n ASN 167 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p5t n GLN 168 N 3.43 0.00 -2.19 3.52 6.02 -1.22 -5.03 117.38 121.91 2p5t n GLN 168 Ca 0.27 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.22 2p5t n GLN 168 Cb 0.40 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.66 2p5t n GLN 168 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2p5t n HIS 176 N 0.00 -1.20 -2.83 1.08 8.25 -1.26 -4.68 115.22 114.58 2p5t n HIS 176 Ca 0.00 -0.75 -0.37 0.00 -0.26 0.00 0.00 57.72 56.34 2p5t n HIS 176 Cb 0.00 0.28 -0.00 0.00 1.12 0.00 0.00 29.99 31.39 2p5t n HIS 176 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2p5t n HIS 177 N -0.20 3.05 -0.06 4.41 8.25 -1.26 -4.68 115.22 124.72 2p5t n HIS 177 Ca -0.02 -3.02 -0.11 0.00 -0.26 0.00 0.00 57.72 54.31 2p5t n HIS 177 Cb 0.21 -0.99 -0.05 0.00 1.12 0.00 0.00 29.99 30.28 2p5t n HIS 177 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2p5t n ASP 178 N 0.19 2.24 -4.05 0.41 8.00 -1.26 -1.76 116.55 120.31 2p5t n ASP 178 Ca 0.38 0.02 -0.42 0.00 0.71 0.00 0.00 54.79 55.49 2p5t n ASP 178 Cb 0.31 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 2p5t n ASP 178 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2p5t n PHE 179 N -3.15 3.68 -0.01 1.24 3.72 -1.26 -4.06 117.46 117.61 2p5t n PHE 179 Ca -0.24 -2.72 0.00 0.00 -0.05 0.00 0.00 57.45 54.45 2p5t n PHE 179 Cb 0.72 -2.50 0.00 0.00 -0.94 0.00 0.00 39.48 36.76 2p5t n PHE 179 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2p5t n ILE 180 N 5.79 0.00 -0.35 4.37 5.41 -1.26 -4.88 119.36 128.43 2p5t n ILE 180 Ca 0.50 0.00 0.33 0.00 1.00 0.00 0.00 62.75 64.59 2p5t n ILE 180 Cb 0.42 0.75 0.59 0.00 -0.71 0.00 0.00 39.64 40.69 2p5t n ILE 180 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2p5t n VAL 181 N 0.00 -0.36 0.08 1.39 0.31 -1.26 -0.01 118.33 118.48 2p5t n VAL 181 Ca 0.00 1.90 -0.21 0.00 -0.01 0.00 0.00 64.34 66.01 2p5t n VAL 181 Cb 0.00 -3.10 -0.14 0.00 -0.91 0.00 0.00 33.84 29.70 2p5t n VAL 181 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2p5t h ASN 182 N 0.00 0.71 -0.77 4.52 2.35 -1.96 -2.89 115.58 117.55 2p5t h ASN 182 Ca 0.83 -0.87 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2p5t h ASN 182 Cb 2.34 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 40.45 2p5t h ASN 182 CO -0.66 1.51 0.42 0.45 -1.65 0.00 0.00 177.43 177.51 2p5t h HIS 183 N 0.01 1.05 -0.45 1.19 3.86 -0.86 -2.58 115.15 117.39 2p5t h HIS 183 Ca -0.17 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.00 2p5t h HIS 183 Cb 1.80 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 29.91 2p5t h HIS 183 CO 0.15 0.74 0.24 1.25 0.86 0.00 0.00 177.93 181.16 2p5t h LEU 184 N 1.06 0.57 -0.04 2.43 5.85 -0.48 0.05 115.31 124.75 2p5t h LEU 184 Ca 0.27 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2p5t h LEU 184 Cb 0.03 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 2p5t h LEU 184 CO -0.04 0.51 -0.01 0.58 -0.34 0.00 0.00 178.44 179.13 2p5t h VAL 185 N 0.58 1.30 -0.63 1.05 2.07 -1.51 -2.68 116.25 116.43 2p5t h VAL 185 Ca 0.16 -0.91 0.06 0.00 0.82 0.00 0.00 66.70 66.83 2p5t h VAL 185 Cb 0.08 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 2p5t h VAL 185 CO -0.02 0.25 0.32 0.44 0.02 0.00 0.00 177.57 178.58 2p5t h ASP 186 N -0.27 0.45 1.15 0.57 3.32 -1.34 -2.26 116.42 118.05 2p5t h ASP 186 Ca 0.01 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2p5t h ASP 186 Cb 0.40 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 2p5t h ASP 186 CO 0.00 0.29 -0.14 0.78 -1.72 0.00 0.00 179.24 178.46 2p5t h ASN 187 N 0.59 0.00 -0.02 6.45 4.21 -1.02 -2.88 115.58 122.90 2p5t h ASN 187 Ca 0.29 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.72 2p5t h ASN 187 Cb 0.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.43 2p5t h ASN 187 CO -0.20 0.14 -0.27 0.74 -1.29 0.00 0.00 177.43 176.54 2p5t h THR 188 N 0.00 1.49 -0.95 2.81 2.02 -1.06 -2.24 112.91 114.98 2p5t h THR 188 Ca -0.00 -1.84 0.01 0.00 0.77 0.00 0.00 66.41 65.35 2p5t h THR 188 Cb 0.75 2.59 -0.05 0.00 -1.74 0.00 0.00 68.15 69.70 2p5t h THR 188 CO 0.02 0.51 0.63 -0.09 0.37 0.00 0.00 175.52 176.96 2p5t h ARG 189 N -0.37 1.25 -0.34 6.66 2.43 -1.43 -0.47 114.38 122.11 2p5t h ARG 189 Ca -0.03 -0.08 -0.16 0.00 -0.81 0.00 0.00 59.98 58.91 2p5t h ARG 189 Cb 0.98 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2p5t h ARG 189 CO 0.06 0.83 -0.42 0.87 -1.51 0.00 0.00 179.97 179.79 2p5t h LYS 190 N 1.29 0.85 0.00 0.20 6.56 -1.57 -0.32 116.57 123.58 2p5t h LYS 190 Ca 0.35 -0.46 -0.05 0.00 -1.06 0.00 0.00 60.65 59.42 2p5t h LYS 190 Cb -0.15 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.53 2p5t h LYS 190 CO -0.08 1.10 -0.25 -0.07 -2.06 0.00 0.00 179.45 178.09 2p5t h LEU 191 N 0.69 0.00 0.03 2.94 3.38 -1.11 -1.16 115.31 120.08 2p5t h LEU 191 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2p5t h LEU 191 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2p5t h LEU 191 CO 0.10 0.25 -0.01 -0.08 0.09 0.00 0.00 178.44 178.79 2p5t h GLU 192 N 0.00 -0.04 -0.80 1.13 4.81 -0.77 -3.01 114.58 115.90 2p5t h GLU 192 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2p5t h GLU 192 Cb 0.71 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 2p5t h GLU 192 CO 0.03 0.61 0.37 0.93 -0.73 0.00 0.00 179.01 180.22 2p5t h GLU 193 N -0.75 1.17 0.00 1.92 5.08 -1.02 -1.40 114.58 119.57 2p5t h GLU 193 Ca -0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2p5t h GLU 193 Cb 0.67 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2p5t h GLU 193 CO 0.01 0.91 0.00 1.28 -1.00 0.00 0.00 179.01 180.21 2p5t n LEU 194 N -4.30 0.00 -4.07 1.33 4.77 -0.45 -4.91 117.00 109.38 2p5t n LEU 194 Ca 0.08 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.67 2p5t n LEU 194 Cb 0.15 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2p5t n LEU 194 CO 0.40 0.00 -0.23 0.00 -1.33 0.00 0.00 177.39 176.23 2p5t n ALA 195 N -0.78 -2.41 0.01 -1.18 0.00 -0.53 -4.89 120.51 110.74 2p5t n ALA 195 Ca 0.10 -0.47 -0.03 0.00 0.00 0.00 0.00 53.44 53.04 2p5t n ALA 195 Cb 0.05 -2.31 -0.10 0.00 0.00 0.00 0.00 19.45 17.08 2p5t n ALA 195 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2p5t n ILE 196 N -4.77 1.33 -4.58 0.00 2.08 -1.14 -4.88 119.36 107.40 2p5t n ILE 196 Ca -0.18 -0.73 -0.33 0.00 0.56 0.00 0.00 62.75 62.07 2p5t n ILE 196 Cb 0.61 -0.84 -0.13 0.00 -0.75 0.00 0.00 39.64 38.53 2p5t n ILE 196 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2p5t s PHE 197 N -2.81 2.93 0.17 1.39 0.08 -1.26 -4.90 117.98 113.57 2p5t s PHE 197 Ca -0.03 -0.43 -0.14 0.00 0.12 0.00 0.00 56.93 56.44 2p5t s PHE 197 Cb 0.08 -1.89 0.10 0.00 -0.57 0.00 0.00 43.02 40.74 2p5t s PHE 197 CO 0.82 -0.09 1.77 0.93 -0.10 0.00 0.00 175.22 178.54 2p5t h GLU 198 N 6.62 0.37 -4.29 0.44 4.39 -1.55 -3.43 114.58 117.13 2p5t h GLU 198 Ca -0.30 -0.02 -0.38 0.00 0.34 0.00 0.00 59.36 59.01 2p5t h GLU 198 Cb 1.20 -0.08 -0.31 0.00 -0.10 0.00 0.00 28.75 29.46 2p5t h GLU 198 CO 0.59 0.25 -0.77 0.50 -1.16 0.00 0.00 179.01 178.42 2p5t s ARG 199 N -6.14 0.66 -0.09 2.33 3.52 -1.25 -4.85 118.95 113.13 2p5t s ARG 199 Ca -0.13 -0.18 0.04 0.00 -0.13 0.00 0.00 55.73 55.33 2p5t s ARG 199 Cb 0.13 -0.66 -0.00 0.00 -1.56 0.00 0.00 34.95 32.86 2p5t s ARG 199 CO 0.72 0.05 -0.23 0.42 -0.81 0.00 0.00 175.30 175.45 2p5t s ILE 200 N 0.29 2.14 -0.01 4.11 1.01 -1.26 -0.96 121.20 126.52 2p5t s ILE 200 Ca -0.04 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.64 2p5t s ILE 200 Cb -0.08 -1.81 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 2p5t s ILE 200 CO -0.00 0.56 -0.08 -1.10 0.00 0.00 0.00 174.94 174.32 2p5t s GLN 201 N 0.19 0.76 -0.10 2.79 -0.21 0.56 0.28 119.66 123.94 2p5t s GLN 201 Ca -0.14 -0.29 0.02 0.00 0.02 0.00 0.00 55.36 54.98 2p5t s GLN 201 Cb -0.17 -0.73 -0.01 0.00 1.00 0.00 0.00 33.01 33.10 2p5t s GLN 201 CO 0.07 0.15 -0.17 0.42 -2.12 0.00 0.00 175.29 173.64 2p5t s ILE 202 N -0.02 2.76 0.19 1.08 1.01 -0.35 0.07 121.20 125.95 2p5t s ILE 202 Ca 0.01 -0.79 0.11 0.00 0.00 0.00 0.00 60.65 59.97 2p5t s ILE 202 Cb -0.05 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 2p5t s ILE 202 CO -0.00 0.55 -0.19 -0.31 0.00 0.00 0.00 174.94 174.99 2p5t s TYR 203 N 0.01 2.41 0.27 3.97 2.02 0.14 -1.69 117.35 124.48 2p5t s TYR 203 Ca -0.06 -0.31 0.11 0.00 -0.37 0.00 0.00 57.07 56.44 2p5t s TYR 203 Cb -0.15 -1.18 -0.05 0.00 -0.40 0.00 0.00 41.96 40.19 2p5t s TYR 203 CO 0.05 0.51 -0.09 -0.65 -1.57 0.00 0.00 175.55 173.80 2p5t s GLN 204 N -2.77 2.03 0.46 -0.62 -0.21 -0.84 -1.24 119.66 116.48 2p5t s GLN 204 Ca 0.23 -1.55 0.28 0.00 0.02 0.00 0.00 55.36 54.34 2p5t s GLN 204 Cb -0.08 -2.00 1.35 0.00 1.00 0.00 0.00 33.01 33.28 2p5t s GLN 204 CO 0.12 0.35 1.75 0.00 -2.12 0.00 0.00 175.29 175.39 2p5t h ARG 205 N 2.10 0.18 -0.99 2.91 3.08 -1.89 0.15 114.38 119.92 2p5t h ARG 205 Ca -0.43 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.49 2p5t h ARG 205 Cb 1.25 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 31.19 2p5t h ARG 205 CO 0.60 0.12 0.15 -0.40 -1.07 0.00 0.00 179.97 179.37 2p5t n ASP 206 N -4.45 3.08 0.00 7.04 5.68 -1.26 -4.86 116.55 121.78 2p5t n ASP 206 Ca 0.28 -2.41 0.00 0.00 -0.50 0.00 0.00 54.79 52.17 2p5t n ASP 206 Cb 1.16 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 2p5t n ASP 206 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2p5t n ARG 207 N 0.07 -0.53 -1.87 0.11 1.74 0.51 -4.96 116.66 111.74 2p5t n ARG 207 Ca 0.15 0.13 -0.41 0.00 -0.77 0.00 0.00 57.85 56.95 2p5t n ARG 207 Cb 0.77 -4.44 -0.01 0.00 -1.02 0.00 0.00 32.46 27.77 2p5t n ARG 207 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2p5t s SER 208 N -2.07 6.44 -0.42 0.55 0.01 -1.23 -4.80 113.70 112.17 2p5t s SER 208 Ca 0.00 2.96 -0.20 0.00 1.31 0.00 0.00 55.95 60.03 2p5t s SER 208 Cb 0.00 -2.66 0.02 0.00 0.21 0.00 0.00 66.02 63.59 2p5t s SER 208 CO 0.00 -0.80 0.58 0.00 0.41 0.00 0.00 173.24 173.43 2p5t n VAL 210 N 5.71 0.75 -3.77 0.00 0.31 -0.68 -4.88 118.33 115.77 2p5t n VAL 210 Ca -0.03 -0.61 -0.13 0.00 -0.01 0.00 0.00 64.34 63.56 2p5t n VAL 210 Cb 0.48 -0.42 -0.12 0.00 -0.91 0.00 0.00 33.84 32.87 2p5t n VAL 210 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2p5t s TYR 211 N -3.17 -0.27 -0.07 3.52 6.14 -1.16 -4.97 117.35 117.37 2p5t s TYR 211 Ca -0.04 0.66 -0.02 0.00 0.64 0.00 0.00 57.07 58.31 2p5t s TYR 211 Cb 0.10 0.06 0.03 0.00 0.42 0.00 0.00 41.96 42.57 2p5t s TYR 211 CO 0.83 -0.16 0.03 0.34 0.64 0.00 0.00 175.55 177.23 2p5t s ASP 212 N 0.60 1.54 0.56 4.32 -1.08 -1.26 -1.21 116.67 120.14 2p5t s ASP 212 Ca -0.04 -0.10 0.33 0.00 -0.52 0.00 0.00 52.55 52.21 2p5t s ASP 212 Cb -0.05 -0.32 1.65 0.00 -1.46 0.00 0.00 42.92 42.74 2p5t s ASP 212 CO -0.03 -0.23 2.12 -1.28 0.52 0.00 0.00 175.17 176.26 2p5t h SER 213 N 8.37 0.00 0.47 -0.34 0.87 -0.44 0.41 113.55 122.90 2p5t h SER 213 Ca -0.16 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 2p5t h SER 213 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2p5t h SER 213 CO 0.22 0.07 -0.23 0.50 -0.53 0.00 0.00 176.83 176.86 2p5t h LYS 214 N 0.00 -0.61 0.05 2.24 1.63 -1.89 -3.37 116.57 114.63 2p5t h LYS 214 Ca -0.00 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2p5t h LYS 214 Cb 0.30 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2p5t h LYS 214 CO 0.01 -0.36 -0.03 0.93 -3.45 0.00 0.00 179.45 176.56 2p5t h GLU 215 N -0.74 -0.07 -7.39 1.90 4.39 -1.75 -3.47 114.58 107.44 2p5t h GLU 215 Ca -0.06 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.14 2p5t h GLU 215 Cb 0.54 0.02 0.10 0.00 -0.10 0.00 0.00 28.75 29.30 2p5t h GLU 215 CO 0.11 0.48 0.37 -0.80 -1.16 0.00 0.00 179.01 178.01 2p5t s ASN 216 N -5.80 5.12 0.00 1.42 0.01 0.14 -5.01 114.94 110.82 2p5t s ASN 216 Ca -0.12 1.39 0.00 0.00 -0.71 0.00 0.00 52.86 53.41 2p5t s ASN 216 Cb -0.01 -2.21 0.00 0.00 0.41 0.00 0.00 41.25 39.44 2p5t s ASN 216 CO 0.45 -1.58 0.00 0.41 -1.51 0.00 0.00 177.10 174.87 2p5t n THR 217 N -3.19 0.00 -1.01 1.60 -1.04 -1.26 -4.66 114.28 104.72 2p5t n THR 217 Ca 0.07 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.75 2p5t n THR 217 Cb 0.55 -0.96 0.13 0.00 -1.82 0.00 0.00 70.33 68.23 2p5t n THR 217 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2p5t n THR 218 N -1.95 1.47 -1.95 12.58 -2.24 -1.26 -4.92 114.28 116.01 2p5t n THR 218 Ca 0.00 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 2p5t n THR 218 Cb 0.48 -1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 67.62 2p5t n THR 218 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2p5t s SER 219 N -2.15 6.57 0.29 3.42 0.15 -1.26 -4.92 113.70 115.80 2p5t s SER 219 Ca 0.70 2.74 -0.02 0.00 0.70 0.00 0.00 55.95 60.08 2p5t s SER 219 Cb -0.28 -2.63 0.43 0.00 -1.71 0.00 0.00 66.02 61.84 2p5t s SER 219 CO 0.54 -0.76 1.95 0.00 1.20 0.00 0.00 173.24 176.17 2p5t h ALA 220 N 5.01 1.41 -0.79 5.45 0.00 -1.94 -2.70 119.26 125.70 2p5t h ALA 220 Ca -0.46 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.40 2p5t h ALA 220 Cb 1.22 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2p5t h ALA 220 CO 0.78 0.53 0.52 0.00 0.00 0.00 0.00 179.25 181.08 2p5t h ALA 221 N 1.47 1.00 -0.35 0.00 0.00 -1.88 -2.35 119.26 117.14 2p5t h ALA 221 Ca 0.33 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2p5t h ALA 221 Cb -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2p5t h ALA 221 CO -0.08 0.42 0.06 -0.44 0.00 0.00 0.00 179.25 179.20 2p5t h ASP 222 N 1.07 0.56 -0.51 0.00 3.32 -1.87 -2.13 116.42 116.85 2p5t h ASP 222 Ca 0.29 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 57.12 2p5t h ASP 222 Cb -0.12 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 2p5t h ASP 222 CO -0.06 0.68 0.34 0.58 -1.72 0.00 0.00 179.24 179.06 2p5t h VAL 223 N 0.42 1.03 0.14 -1.35 2.07 -1.38 -2.18 116.25 115.00 2p5t h VAL 223 Ca 0.11 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2p5t h VAL 223 Cb 0.36 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2p5t h VAL 223 CO 0.01 0.10 -0.07 -0.07 0.02 0.00 0.00 177.57 177.56 2p5t h LEU 224 N 0.54 -0.16 -0.77 2.57 3.38 -0.86 -2.53 115.31 117.48 2p5t h LEU 224 Ca 0.21 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.13 2p5t h LEU 224 Cb 0.17 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 2p5t h LEU 224 CO -0.06 0.04 0.44 1.56 0.09 0.00 0.00 178.44 180.51 2p5t h GLN 225 N -0.35 0.74 -0.01 1.13 4.20 -0.80 0.19 115.11 120.21 2p5t h GLN 225 Ca -0.02 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 2p5t h GLN 225 Cb 0.28 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2p5t h GLN 225 CO 0.03 0.49 -0.45 0.93 -0.67 0.00 0.00 178.83 179.16 2p5t h GLU 226 N 0.77 0.02 -0.31 1.46 5.08 -1.48 0.50 114.58 120.62 2p5t h GLU 226 Ca 0.36 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.56 2p5t h GLU 226 Cb 0.29 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2p5t h GLU 226 CO -0.22 0.47 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.78 2p5t h LEU 227 N 0.02 0.82 0.01 1.33 3.38 -0.65 0.86 115.31 121.08 2p5t h LEU 227 Ca -0.00 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 2p5t h LEU 227 Cb 0.81 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2p5t h LEU 227 CO 0.06 1.12 -0.01 -0.26 0.09 0.00 0.00 178.44 179.44 2p5t h PHE 228 N 0.62 -0.02 -0.03 1.13 0.04 -0.42 -3.40 116.94 114.87 2p5t h PHE 228 Ca 0.05 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2p5t h PHE 228 Cb 0.97 0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.12 2p5t h PHE 228 CO 0.05 0.41 0.00 1.19 -0.60 0.00 0.00 178.31 179.36 2p5t n PHE 229 N -4.73 0.02 -1.16 -0.55 3.72 0.17 -4.70 117.46 110.24 2p5t n PHE 229 Ca -0.04 -0.01 -0.30 0.00 -0.05 0.00 0.00 57.45 57.05 2p5t n PHE 229 Cb 0.21 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 38.89 2p5t n PHE 229 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2p5t s GLY 230 N -1.97 1.62 0.68 1.37 0.00 0.30 -4.97 107.32 104.35 2p5t s GLY 230 Ca 0.35 0.01 -0.17 0.00 0.00 0.00 0.00 44.72 44.91 2p5t s GLY 230 CO 0.32 0.49 1.22 -1.83 0.00 0.00 0.00 173.10 173.30 2p5t s GLU 231 N -4.90 2.45 0.18 2.90 1.03 -1.26 -4.94 118.70 114.16 2p5t s GLU 231 Ca 0.63 1.83 -0.30 0.00 0.03 0.00 0.00 54.97 57.16 2p5t s GLU 231 Cb -0.18 -1.86 -0.08 0.00 -0.80 0.00 0.00 34.13 31.21 2p5t s GLU 231 CO 0.57 -1.61 1.16 -1.58 -1.33 0.00 0.00 175.26 172.47 2p5t s TRP 232 N -1.78 3.49 0.53 4.83 0.52 -1.26 -5.02 118.94 120.26 2p5t s TRP 232 Ca 0.77 1.49 -0.18 0.00 0.02 0.00 0.00 56.10 58.20 2p5t s TRP 232 Cb -0.31 -3.37 -0.07 0.00 -1.15 0.00 0.00 33.47 28.57 2p5t s TRP 232 CO 0.41 -0.98 1.03 -1.54 0.02 0.00 0.00 176.95 175.90 2p5t s SER 233 N 0.05 6.20 0.25 2.95 1.04 -1.26 -4.90 113.70 118.02 2p5t s SER 233 Ca 0.51 1.81 -0.08 0.00 0.48 0.00 0.00 55.95 58.68 2p5t s SER 233 Cb -0.31 -2.54 0.40 0.00 0.10 0.00 0.00 66.02 63.67 2p5t s SER 233 CO 0.36 -0.88 1.39 1.67 0.98 0.00 0.00 173.24 176.76 2p5t n GLN 234 N -1.49 -0.09 0.05 4.02 -0.06 -1.26 -1.21 117.38 117.35 2p5t n GLN 234 Ca 0.08 1.39 -0.07 0.00 -2.00 0.00 0.00 57.00 56.41 2p5t n GLN 234 Cb 0.53 -2.08 0.10 0.00 -4.06 0.00 0.00 30.24 24.73 2p5t n GLN 234 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2p5t h VAL 235 N 0.00 1.35 -0.02 1.69 2.07 -2.00 -2.99 116.25 116.35 2p5t h VAL 235 Ca 0.42 -1.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 2p5t h VAL 235 Cb 0.65 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2p5t h VAL 235 CO -0.92 0.57 0.01 -0.33 0.02 0.00 0.00 177.57 176.92 2p5t h GLU 236 N 0.28 0.04 -0.47 1.57 5.08 -1.53 -1.07 114.58 118.47 2p5t h GLU 236 Ca -0.00 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2p5t h GLU 236 Cb 1.09 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 2p5t h GLU 236 CO 0.10 0.14 0.31 0.87 -1.00 0.00 0.00 179.01 179.44 2p5t h LYS 237 N -0.08 0.52 -0.08 2.33 1.57 -1.51 -1.03 116.57 118.30 2p5t h LYS 237 Ca 0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2p5t h LYS 237 Cb 0.12 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2p5t h LYS 237 CO -0.00 0.35 0.04 1.49 -0.57 0.00 0.00 179.45 180.76 2p5t h GLU 238 N 0.54 0.11 -0.29 3.15 4.57 -1.32 -2.86 114.58 118.49 2p5t h GLU 238 Ca 0.19 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2p5t h GLU 238 Cb 0.09 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2p5t h GLU 238 CO -0.05 0.18 0.18 0.52 -1.18 0.00 0.00 179.01 178.67 2p5t h MET 239 N 0.01 0.38 -0.43 1.92 2.86 0.01 -2.34 114.93 117.34 2p5t h MET 239 Ca 0.03 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2p5t h MET 239 Cb 0.11 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2p5t h MET 239 CO -0.00 0.26 0.13 1.25 1.06 0.00 0.00 176.91 179.60 2p5t h LEU 240 N 0.39 0.57 -0.02 1.22 5.85 -1.02 -2.32 115.31 119.97 2p5t h LEU 240 Ca 0.10 -0.08 -0.26 0.00 0.84 0.00 0.00 57.88 58.49 2p5t h LEU 240 Cb -0.03 -0.15 0.02 0.00 0.37 0.00 0.00 40.66 40.87 2p5t h LEU 240 CO -0.02 0.56 -1.01 1.56 -0.34 0.00 0.00 178.44 179.18 2p5t h GLN 241 N 0.62 0.71 -0.80 1.25 4.20 -1.33 -2.95 115.11 116.80 2p5t h GLN 241 Ca 0.14 -0.75 0.05 0.00 0.06 0.00 0.00 58.65 58.16 2p5t h GLN 241 Cb 0.20 0.21 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 2p5t h GLN 241 CO -0.01 1.32 0.52 0.28 -0.67 0.00 0.00 178.83 180.28 2p5t h VAL 242 N 0.41 1.09 -0.30 -0.54 2.07 -1.22 0.13 116.25 117.89 2p5t h VAL 242 Ca -0.12 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 2p5t h VAL 242 Cb 1.67 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2p5t h VAL 242 CO 0.20 0.17 -0.07 1.23 0.02 0.00 0.00 177.57 179.12 2p5t h GLY 243 N 0.94 0.63 1.94 2.17 0.00 -1.45 -0.48 103.07 106.82 2p5t h GLY 243 Ca 0.33 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 2p5t h GLY 243 CO -0.10 0.48 -0.11 -2.09 0.00 0.00 0.00 176.54 174.71 2p5t h GLU 244 N 0.35 0.08 0.44 4.80 4.81 -1.20 0.03 114.58 123.90 2p5t h GLU 244 Ca 0.08 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2p5t h GLU 244 Cb 0.56 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2p5t h GLU 244 CO 0.03 0.19 -0.21 0.87 -0.73 0.00 0.00 179.01 179.16 2p5t h LYS 245 N 0.07 -0.57 0.00 1.92 1.57 -0.48 -3.24 116.57 115.85 2p5t h LYS 245 Ca 0.02 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2p5t h LYS 245 Cb 0.24 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2p5t h LYS 245 CO 0.02 -0.38 -0.33 0.00 -0.57 0.00 0.00 179.45 178.18 2p5t h ARG 246 N -0.68 0.00 -0.38 3.15 2.47 -0.88 -2.77 114.38 115.29 2p5t h ARG 246 Ca -0.06 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.58 2p5t h ARG 246 Cb 0.45 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 2p5t h ARG 246 CO 0.10 0.33 -0.05 1.25 0.56 0.00 0.00 179.97 182.16 2p5t h LEU 247 N 0.00 0.71 -1.36 3.04 5.85 -1.15 -2.70 115.31 119.71 2p5t h LEU 247 Ca -0.00 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 2p5t h LEU 247 Cb 0.76 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2p5t h LEU 247 CO 0.04 0.89 0.35 0.78 -0.34 0.00 0.00 178.44 180.16 2p5t h ASN 248 N 0.53 0.69 -0.39 1.25 2.35 -1.51 0.65 115.58 119.14 2p5t h ASN 248 Ca 0.10 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 2p5t h ASN 248 Cb 0.55 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2p5t h ASN 248 CO 0.03 0.53 -0.07 -0.33 -1.65 0.00 0.00 177.43 175.94 2p5t h GLU 249 N 0.80 0.73 0.00 0.81 5.08 -1.54 -2.49 114.58 117.98 2p5t h GLU 249 Ca 0.21 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2p5t h GLU 249 Cb -0.04 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2p5t h GLU 249 CO -0.04 0.86 0.00 -0.07 -1.00 0.00 0.00 179.01 178.76 2p5t h LEU 250 N 0.54 0.00 -1.58 1.33 4.07 -1.03 0.39 115.31 119.04 2p5t h LEU 250 Ca 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 2p5t h LEU 250 Cb 0.58 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.31 2p5t h LEU 250 CO 0.03 0.00 -0.09 0.25 -1.08 0.00 0.00 178.44 177.55 2p5t h LEU 251 N 0.00 0.00 -4.02 1.67 5.85 0.76 -3.26 115.31 116.32 2p5t h LEU 251 Ca 0.00 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.50 2p5t h LEU 251 Cb 0.40 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 41.07 2p5t h LEU 251 CO 0.00 0.09 -1.01 -0.62 -0.34 0.00 0.00 178.44 176.56 2p5t n GLU 252 N -3.28 1.08 0.00 1.25 1.02 -0.59 -5.07 120.64 115.05 2p5t n GLU 252 Ca -0.00 -2.87 0.00 0.00 -0.02 0.00 0.00 57.16 54.27 2p5t n GLU 252 Cb 0.31 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 2p5t n GLU 252 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94