#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpg h PHE 3 N 0.00 -0.04 -3.36 6.00 3.57 -1.63 -3.38 116.94 118.10 3dpg h PHE 3 Ca 0.00 0.02 -0.56 0.00 3.53 0.00 0.00 57.97 60.95 3dpg h PHE 3 Cb 0.00 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 3dpg h PHE 3 CO 0.00 -0.05 0.21 0.99 -2.23 0.00 0.00 178.31 177.23 3dpg s THR 4 N -6.19 4.98 0.30 4.41 2.01 -1.26 -4.97 115.64 114.91 3dpg s THR 4 Ca -0.13 1.58 -0.29 0.00 0.31 0.00 0.00 61.69 63.16 3dpg s THR 4 Cb 0.10 -4.11 -0.13 0.00 0.01 0.00 0.00 72.50 68.37 3dpg s THR 4 CO 0.69 0.18 1.27 0.00 -0.69 0.00 0.00 174.62 176.06 3dpg n TYR 5 N 4.21 2.05 -3.87 4.92 9.36 -1.26 -4.99 117.16 127.58 3dpg n TYR 5 Ca 0.01 0.55 -0.26 0.00 3.32 0.00 0.00 57.90 61.52 3dpg n TYR 5 Cb 0.51 -2.40 -0.17 0.00 -0.63 0.00 0.00 39.34 36.65 3dpg n TYR 5 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3dpg s SER 6 N -0.16 2.25 0.23 2.98 0.15 -1.26 -4.97 113.70 112.92 3dpg s SER 6 Ca 0.60 -0.37 -0.06 0.00 0.70 0.00 0.00 55.95 56.82 3dpg s SER 6 Cb -0.62 -0.77 0.30 0.00 -1.71 0.00 0.00 66.02 63.22 3dpg s SER 6 CO 0.58 -0.16 1.85 0.40 1.20 0.00 0.00 173.24 177.11 3dpg h ILE 7 N 6.27 1.06 0.76 6.45 2.04 -1.99 -1.97 117.51 130.12 3dpg h ILE 7 Ca -0.26 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 3dpg h ILE 7 Cb 1.12 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3dpg h ILE 7 CO 0.37 0.17 -0.36 -0.08 0.00 0.00 0.00 178.15 178.25 3dpg h GLU 8 N 0.95 -0.98 -0.93 2.37 4.81 -1.99 -1.82 114.58 116.99 3dpg h GLU 8 Ca 0.35 0.07 0.19 0.00 -0.13 0.00 0.00 59.36 59.84 3dpg h GLU 8 Cb 0.13 0.22 -0.08 0.00 0.63 0.00 0.00 28.75 29.65 3dpg h GLU 8 CO -0.16 -0.63 0.60 0.00 -0.73 0.00 0.00 179.01 178.09 3dpg h ALA 9 N -0.93 1.97 -0.56 2.92 0.00 -1.96 0.31 119.26 121.01 3dpg h ALA 9 Ca -0.10 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3dpg h ALA 9 Cb 0.80 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3dpg h ALA 9 CO 0.17 -0.27 0.04 1.15 0.00 0.00 0.00 179.25 180.34 3dpg h THR 10 N 0.58 1.25 -0.67 0.00 2.02 -1.15 -2.55 112.91 112.40 3dpg h THR 10 Ca 0.50 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 3dpg h THR 10 Cb 0.99 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3dpg h THR 10 CO -0.24 0.37 0.26 0.03 0.37 0.00 0.00 175.52 176.31 3dpg h ARG 11 N 0.87 1.01 0.00 6.66 3.08 0.44 -2.62 114.38 123.82 3dpg h ARG 11 Ca 0.17 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3dpg h ARG 11 Cb 0.46 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3dpg h ARG 11 CO 0.02 0.85 0.00 -0.91 -1.07 0.00 0.00 179.97 178.86 3dpg h ASN 12 N 0.96 0.00 -3.13 7.04 4.21 -0.78 -3.43 115.58 120.44 3dpg h ASN 12 Ca 0.22 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 57.20 3dpg h ASN 12 Cb 0.23 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.45 3dpg h ASN 12 CO -0.02 0.00 0.68 -0.76 -1.29 0.00 0.00 177.43 176.04 3dpg s LEU 13 N -5.27 4.38 0.55 1.61 1.43 -0.99 -5.00 118.68 115.40 3dpg s LEU 13 Ca -0.02 2.30 -0.21 0.00 -1.03 0.00 0.00 54.13 55.17 3dpg s LEU 13 Cb 0.09 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 3dpg s LEU 13 CO 0.34 -0.59 1.32 0.00 0.23 0.00 0.00 176.35 177.66 3dpg s ALA 14 N 0.83 2.76 0.54 4.21 0.00 -1.26 -4.86 121.76 123.98 3dpg s ALA 14 Ca 0.62 1.27 0.25 0.00 0.00 0.00 0.00 51.96 54.09 3dpg s ALA 14 Cb -0.36 -3.54 1.42 0.00 0.00 0.00 0.00 23.12 20.64 3dpg s ALA 14 CO 0.32 -1.33 2.03 0.00 0.00 0.00 0.00 175.76 176.78 3dpg h THR 15 N 1.33 0.72 0.00 0.00 1.03 -1.96 0.48 112.91 114.51 3dpg h THR 15 Ca -0.51 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 3dpg h THR 15 Cb 1.30 0.78 0.00 0.00 -1.07 0.00 0.00 68.15 69.16 3dpg h THR 15 CO 0.57 0.00 0.00 0.35 -0.01 0.00 0.00 175.52 176.43 3dpg n THR 16 N -4.29 0.19 0.78 0.00 -2.24 -1.26 -2.65 114.28 104.82 3dpg n THR 16 Ca 0.07 0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 3dpg n THR 16 Cb 0.50 -0.62 -0.09 0.00 -2.10 0.00 0.00 70.33 68.02 3dpg n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dpg n GLU 17 N -1.34 1.51 -1.34 -0.78 1.02 0.16 -5.01 120.64 114.87 3dpg n GLU 17 Ca 0.11 -0.02 -0.34 0.00 -0.02 0.00 0.00 57.16 56.89 3dpg n GLU 17 Cb 0.23 -1.28 0.10 0.00 -0.02 0.00 0.00 31.44 30.47 3dpg n GLU 17 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3dpg s ARG 18 N -2.56 1.98 0.29 3.49 0.52 -1.07 -4.82 118.95 116.77 3dpg s ARG 18 Ca 0.06 1.81 0.16 0.00 -0.52 0.00 0.00 55.73 57.24 3dpg s ARG 18 Cb 0.13 -1.81 0.08 0.00 0.52 0.00 0.00 34.95 33.87 3dpg s ARG 18 CO 0.68 -1.97 1.45 0.00 0.02 0.00 0.00 175.30 175.47 3dpg s ILE 20 N -2.98 2.96 -0.30 0.00 -1.09 -1.26 -1.04 121.20 117.49 3dpg s ILE 20 Ca 0.04 -0.97 -0.16 0.00 -2.23 0.00 0.00 60.65 57.33 3dpg s ILE 20 Cb 0.07 -2.49 -0.02 0.00 -1.58 0.00 0.00 42.46 38.44 3dpg s ILE 20 CO 0.74 0.21 0.43 -1.10 -1.23 0.00 0.00 174.94 173.99 3dpg s GLN 21 N 1.35 3.83 -0.32 2.79 -1.52 -0.77 -4.93 119.66 120.09 3dpg s GLN 21 Ca 0.01 -0.06 -0.29 0.00 -1.95 0.00 0.00 55.36 53.07 3dpg s GLN 21 Cb -0.16 -3.73 0.01 0.00 -0.22 0.00 0.00 33.01 28.91 3dpg s GLN 21 CO -0.04 -0.44 1.22 0.34 -0.25 0.00 0.00 175.29 176.12 3dpg s ASP 22 N 1.68 6.75 -0.13 5.90 2.15 -1.26 -1.06 116.67 130.70 3dpg s ASP 22 Ca 0.16 1.12 0.18 0.00 0.43 0.00 0.00 52.55 54.44 3dpg s ASP 22 Cb -0.16 -2.54 0.28 0.00 -0.30 0.00 0.00 42.92 40.20 3dpg s ASP 22 CO 0.11 -1.03 1.15 2.30 -0.17 0.00 0.00 175.17 177.53 3dpg n ILE 23 N 6.13 1.86 0.11 4.11 -5.35 -0.52 -4.76 119.36 120.94 3dpg n ILE 23 Ca 0.14 -2.23 0.20 0.00 -0.27 0.00 0.00 62.75 60.59 3dpg n ILE 23 Cb 0.47 -0.22 0.76 0.00 -1.74 0.00 0.00 39.64 38.91 3dpg n ILE 23 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3dpg h ARG 24 N 0.00 0.00 -0.00 6.28 3.08 -1.79 -0.60 114.38 121.34 3dpg h ARG 24 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dpg h ARG 24 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 3dpg h ARG 24 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 3dpg n ASN 25 N -3.77 2.05 -3.18 7.04 5.03 -1.26 -4.65 115.26 116.51 3dpg n ASN 25 Ca 0.06 -2.10 -0.20 0.00 0.87 0.00 0.00 54.58 53.22 3dpg n ASN 25 Cb 0.56 -0.04 -0.04 0.00 -1.02 0.00 0.00 39.78 39.23 3dpg n ASN 25 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dpg n ALA 26 N -0.57 2.10 -1.44 5.41 0.00 -0.28 -5.14 120.51 120.60 3dpg n ALA 26 Ca 0.02 -3.36 -0.35 0.00 0.00 0.00 0.00 53.44 49.74 3dpg n ALA 26 Cb 0.29 -0.89 0.10 0.00 0.00 0.00 0.00 19.45 18.94 3dpg n ALA 26 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3dpg s PRO 27 N -1.91 2.12 0.13 0.00 0.02 -0.95 -4.78 135.00 129.62 3dpg s PRO 27 Ca 0.38 1.92 -0.30 0.00 0.02 0.00 0.00 61.00 63.02 3dpg s PRO 27 Cb 0.28 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.93 3dpg s PRO 27 CO -0.09 -1.89 1.06 0.08 -0.33 0.00 0.00 177.00 175.83 3dpg s VAL 28 N -1.74 4.16 -0.06 3.83 1.01 -1.26 -4.96 120.40 121.38 3dpg s VAL 28 Ca 0.78 1.76 -0.38 0.00 0.00 0.00 0.00 61.98 64.14 3dpg s VAL 28 Cb -0.33 -4.13 -0.17 0.00 0.00 0.00 0.00 36.38 31.75 3dpg s VAL 28 CO 0.45 0.26 1.46 0.54 0.00 0.00 0.00 175.10 177.81 3dpg n ARG 29 N 2.85 1.02 -0.88 2.72 5.12 -1.26 -0.58 116.66 125.65 3dpg n ARG 29 Ca 0.04 0.37 0.00 0.00 -1.93 0.00 0.00 57.85 56.33 3dpg n ARG 29 Cb 0.47 -2.01 0.00 0.00 -1.16 0.00 0.00 32.46 29.76 3dpg n ARG 29 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3dpg n ASN 30 N 3.45 -0.70 -4.44 0.55 3.02 -1.26 -4.99 115.26 110.88 3dpg n ASN 30 Ca 0.22 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.46 3dpg n ASN 30 Cb 0.15 -0.84 -0.13 0.00 -0.61 0.00 0.00 39.78 38.36 3dpg n ASN 30 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dpg s ARG 31 N -0.34 1.95 -0.07 3.52 0.52 0.25 -5.00 118.95 119.78 3dpg s ARG 31 Ca 0.00 -1.05 0.20 0.00 -0.52 0.00 0.00 55.73 54.36 3dpg s ARG 31 Cb 0.00 -2.13 0.69 0.00 0.52 0.00 0.00 34.95 34.03 3dpg s ARG 31 CO 0.00 0.52 1.60 -1.13 0.02 0.00 0.00 175.30 176.31 3dpg n SER 32 N 1.44 4.46 -4.67 0.23 3.41 -1.26 -4.39 113.62 112.84 3dpg n SER 32 Ca -0.16 -2.27 -0.46 0.00 -0.26 0.00 0.00 58.87 55.71 3dpg n SER 32 Cb 0.52 -0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 3dpg n SER 32 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3dpg n THR 33 N 1.34 0.07 -0.12 6.66 -1.04 -1.26 -4.91 114.28 115.03 3dpg n THR 33 Ca 0.25 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 62.00 3dpg n THR 33 Cb 0.79 -1.55 -0.11 0.00 -1.82 0.00 0.00 70.33 67.63 3dpg n THR 33 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dpg n GLN 34 N 3.79 0.61 -5.12 -2.82 6.02 -1.26 -4.69 117.38 113.90 3dpg n GLN 34 Ca 0.18 0.32 -0.29 0.00 -0.01 0.00 0.00 57.00 57.20 3dpg n GLN 34 Cb 0.28 -1.58 -0.16 0.00 1.02 0.00 0.00 30.24 29.80 3dpg n GLN 34 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3dpg s PHE 35 N -2.48 2.06 -0.07 1.08 0.08 -1.26 -1.44 117.98 115.96 3dpg s PHE 35 Ca -0.34 -0.44 -0.03 0.00 0.12 0.00 0.00 56.93 56.24 3dpg s PHE 35 Cb 0.11 -1.33 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 3dpg s PHE 35 CO 0.56 -0.07 0.06 -0.65 -0.10 0.00 0.00 175.22 175.02 3dpg s GLN 36 N -0.43 3.12 -0.67 0.44 -0.21 -0.23 -4.86 119.66 116.82 3dpg s GLN 36 Ca 0.06 -0.36 -0.25 0.00 0.02 0.00 0.00 55.36 54.83 3dpg s GLN 36 Cb -0.10 -2.91 0.05 0.00 1.00 0.00 0.00 33.01 31.05 3dpg s GLN 36 CO 0.00 0.70 1.08 -0.51 -2.12 0.00 0.00 175.29 174.44 3dpg s LEU 37 N -1.20 3.88 -1.03 2.90 1.43 -1.26 -1.85 118.68 121.56 3dpg s LEU 37 Ca 0.17 -0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 52.38 3dpg s LEU 37 Cb -0.12 -2.57 -0.00 0.00 0.03 0.00 0.00 46.19 43.53 3dpg s LEU 37 CO 0.07 -1.55 1.73 0.00 0.23 0.00 0.00 176.35 176.83 3dpg s ALA 38 N 4.66 2.26 0.18 4.21 0.00 -0.20 -4.84 121.76 128.03 3dpg s ALA 38 Ca 0.29 -2.03 -0.13 0.00 0.00 0.00 0.00 51.96 50.09 3dpg s ALA 38 Cb -0.13 -4.57 0.09 0.00 0.00 0.00 0.00 23.12 18.51 3dpg s ALA 38 CO 0.14 -4.24 1.82 0.37 0.00 0.00 0.00 175.76 173.85 3dpg h GLN 39 N 10.12 0.83 -0.12 0.00 4.15 -1.93 0.13 115.11 128.28 3dpg h GLN 39 Ca 0.19 -0.08 -0.14 0.00 0.77 0.00 0.00 58.65 59.40 3dpg h GLN 39 Cb 0.98 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 3dpg h GLN 39 CO 1.32 0.59 -0.53 1.96 -1.93 0.00 0.00 178.83 180.25 3dpg h GLN 40 N 0.83 0.34 -0.57 1.69 4.20 -1.98 -1.73 115.11 117.88 3dpg h GLN 40 Ca 0.22 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 3dpg h GLN 40 Cb -0.02 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3dpg h GLN 40 CO -0.04 0.79 -0.00 -0.91 -0.67 0.00 0.00 178.83 177.99 3dpg h ASN 41 N 0.27 0.97 -0.35 1.46 2.35 -1.73 -2.55 115.58 115.99 3dpg h ASN 41 Ca 0.01 -0.27 -0.08 0.00 -0.55 0.00 0.00 56.30 55.41 3dpg h ASN 41 Cb 1.01 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 3dpg h ASN 41 CO 0.09 1.03 -0.07 0.24 -1.65 0.00 0.00 177.43 177.07 3dpg h MET 42 N 0.92 0.77 -0.45 0.81 2.86 -0.38 -0.86 114.93 118.59 3dpg h MET 42 Ca 0.17 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 3dpg h MET 42 Cb 0.53 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 3dpg h MET 42 CO 0.03 0.82 0.01 -0.07 1.06 0.00 0.00 176.91 178.76 3dpg h LEU 43 N 0.70 0.78 -0.42 1.22 3.38 -1.23 -0.79 115.31 118.94 3dpg h LEU 43 Ca 0.13 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 3dpg h LEU 43 Cb 0.53 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3dpg h LEU 43 CO 0.03 0.89 0.06 0.00 0.09 0.00 0.00 178.44 179.51 3dpg h ALA 44 N 0.92 0.57 -0.21 1.53 0.00 -1.21 0.26 119.26 121.11 3dpg h ALA 44 Ca 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3dpg h ALA 44 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3dpg h ALA 44 CO 0.02 0.29 -0.01 -0.92 0.00 0.00 0.00 179.25 178.64 3dpg h TYR 45 N 0.56 0.40 0.14 0.00 3.20 -1.13 0.42 116.97 120.57 3dpg h TYR 45 Ca 0.13 -0.07 -0.31 0.00 3.14 0.00 0.00 58.73 61.61 3dpg h TYR 45 Cb 0.39 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.56 3dpg h TYR 45 CO 0.03 0.56 -1.52 1.15 -1.64 0.00 0.00 178.16 176.75 3dpg h THR 46 N 0.12 1.19 0.00 1.81 2.02 -1.15 -0.67 112.91 116.23 3dpg h THR 46 Ca 0.06 -2.78 0.00 0.00 0.77 0.00 0.00 66.41 64.45 3dpg h THR 46 Cb 0.41 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 3dpg h THR 46 CO 0.01 0.83 -0.04 0.49 0.37 0.00 0.00 175.52 177.18 3dpg n PHE 47 N -3.51 0.00 -0.19 3.16 3.72 0.90 -2.59 117.46 118.95 3dpg n PHE 47 Ca -0.16 -0.66 0.24 0.00 -0.05 0.00 0.00 57.45 56.82 3dpg n PHE 47 Cb 1.05 -0.09 0.64 0.00 -0.94 0.00 0.00 39.48 40.14 3dpg n PHE 47 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3dpg h GLY 48 N 0.00 0.35 -0.30 1.37 0.00 -0.74 0.29 103.07 104.04 3dpg h GLY 48 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3dpg h GLY 48 CO 0.00 -0.01 -0.15 1.18 0.00 0.00 0.00 176.54 177.56 3dpg n GLU 49 N -4.38 0.98 -3.67 4.80 1.02 -1.26 -3.85 120.64 114.27 3dpg n GLU 49 Ca 0.18 -1.94 -0.21 0.00 -0.02 0.00 0.00 57.16 55.17 3dpg n GLU 49 Cb 0.83 -1.12 -0.18 0.00 -0.02 0.00 0.00 31.44 30.95 3dpg n GLU 49 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3dpg s VAL 50 N -1.75 -0.05 -0.33 2.62 1.01 -0.69 -4.71 120.40 116.49 3dpg s VAL 50 Ca 0.19 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.43 3dpg s VAL 50 Cb 0.16 -0.25 0.04 0.00 0.00 0.00 0.00 36.38 36.33 3dpg s VAL 50 CO 0.02 0.13 0.09 -0.63 0.00 0.00 0.00 175.10 174.71 3dpg s ILE 51 N 2.14 3.66 0.38 2.22 -1.09 -1.25 -4.40 121.20 122.86 3dpg s ILE 51 Ca 0.05 -1.17 -0.27 0.00 -2.23 0.00 0.00 60.65 57.03 3dpg s ILE 51 Cb -0.13 -3.08 -0.11 0.00 -1.58 0.00 0.00 42.46 37.57 3dpg s ILE 51 CO -0.04 -0.17 1.24 -2.65 -1.23 0.00 0.00 174.94 172.10 3dpg n PRO 52 N 4.78 1.94 0.00 2.79 -0.02 -1.26 -0.70 135.00 142.53 3dpg n PRO 52 Ca -0.13 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3dpg n PRO 52 Cb 0.44 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3dpg n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dpg n GLY 53 N 0.85 3.06 0.24 -1.23 0.00 -1.26 -4.76 105.19 102.09 3dpg n GLY 53 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.13 3dpg n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dpg n PHE 54 N -2.00 0.00 -1.22 1.61 3.72 0.13 -4.73 117.46 114.97 3dpg n PHE 54 Ca 0.00 -0.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.87 3dpg n PHE 54 Cb 0.00 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 3dpg n PHE 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dpg n ALA 55 N -0.76 0.00 -1.28 4.37 0.00 -1.09 -4.75 120.51 117.00 3dpg n ALA 55 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 3dpg n ALA 55 Cb 0.65 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.19 3dpg n ALA 55 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dpg s SER 56 N 0.96 4.37 0.32 0.00 1.04 -1.26 -4.79 113.70 114.34 3dpg s SER 56 Ca 0.00 2.07 0.02 0.00 0.48 0.00 0.00 55.95 58.52 3dpg s SER 56 Cb 0.00 -2.55 0.60 0.00 0.10 0.00 0.00 66.02 64.17 3dpg s SER 56 CO 0.00 -2.13 1.94 0.00 0.98 0.00 0.00 173.24 174.03 3dpg h ALA 57 N -0.66 1.57 -0.58 5.32 0.00 -1.99 -1.40 119.26 121.51 3dpg h ALA 57 Ca -0.45 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3dpg h ALA 57 Cb 1.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3dpg h ALA 57 CO 0.50 0.32 0.07 0.78 0.00 0.00 0.00 179.25 180.91 3dpg h GLY 58 N 0.93 1.06 1.09 0.00 0.00 -1.97 -2.00 103.07 102.18 3dpg h GLY 58 Ca 0.35 -0.73 -0.18 0.00 0.00 0.00 0.00 47.33 46.77 3dpg h GLY 58 CO -0.12 0.67 -0.53 -2.22 0.00 0.00 0.00 176.54 174.34 3dpg h ILE 59 N 0.87 1.29 -0.23 2.60 2.04 -1.82 -1.88 117.51 120.38 3dpg h ILE 59 Ca 0.17 -1.73 -0.02 0.00 1.00 0.00 0.00 64.86 64.29 3dpg h ILE 59 Cb 0.46 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3dpg h ILE 59 CO 0.02 0.56 0.07 0.78 0.00 0.00 0.00 178.15 179.57 3dpg h ASN 60 N 0.55 0.29 -0.03 1.72 2.35 -1.17 -2.85 115.58 116.44 3dpg h ASN 60 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3dpg h ASN 60 Cb 1.14 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.44 3dpg h ASN 60 CO 0.12 0.29 -0.01 0.61 -1.65 0.00 0.00 177.43 176.78 3dpg n GLY 61 N -1.27 0.63 3.78 2.83 0.00 -0.76 -2.36 105.19 108.04 3dpg n GLY 61 Ca 0.00 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 3dpg n GLY 61 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3dpg s MET 62 N -1.73 3.52 -0.23 1.61 0.00 -0.71 -4.91 119.30 116.84 3dpg s MET 62 Ca 0.24 1.57 -0.39 0.00 0.00 0.00 0.00 55.69 57.10 3dpg s MET 62 Cb 0.17 -2.08 -0.15 0.00 0.00 0.00 0.00 34.83 32.77 3dpg s MET 62 CO 0.26 -0.70 1.75 -3.47 0.00 0.00 0.00 175.02 172.86 3dpg n ASP 63 N -1.10 2.52 0.21 1.11 -0.08 -1.26 -4.36 116.55 113.59 3dpg n ASP 63 Ca 0.10 1.06 0.12 0.00 -1.51 0.00 0.00 54.79 54.56 3dpg n ASP 63 Cb 0.51 -1.18 0.69 0.00 2.34 0.00 0.00 41.12 43.48 3dpg n ASP 63 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 3dpg h TYR 64 N 7.37 0.00 -0.85 -0.67 3.20 -1.01 0.02 116.97 125.03 3dpg h TYR 64 Ca -0.47 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.39 3dpg h TYR 64 Cb 1.31 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.54 3dpg h TYR 64 CO 0.78 0.00 0.48 0.00 -1.64 0.00 0.00 178.16 177.78 3dpg h ARG 65 N 0.00 1.18 -0.09 1.82 3.08 -1.85 -0.19 114.38 118.33 3dpg h ARG 65 Ca 0.05 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 3dpg h ARG 65 Cb 0.22 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3dpg h ARG 65 CO -0.00 0.85 -0.60 -0.44 -1.07 0.00 0.00 179.97 178.71 3dpg h ASP 66 N 1.19 0.35 0.05 7.04 3.32 -1.36 0.36 116.42 127.37 3dpg h ASP 66 Ca 0.30 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3dpg h ASP 66 Cb 0.01 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3dpg h ASP 66 CO -0.05 0.87 -0.03 0.58 -1.72 0.00 0.00 179.24 178.89 3dpg h VAL 67 N 0.23 1.13 -0.04 -1.35 2.07 -1.00 -2.19 116.25 115.11 3dpg h VAL 67 Ca -0.01 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 66.81 3dpg h VAL 67 Cb 1.12 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 3dpg h VAL 67 CO 0.10 0.15 -0.39 0.40 0.02 0.00 0.00 177.57 177.85 3dpg h ILE 68 N -0.35 1.29 0.00 4.57 1.08 -1.03 -2.71 117.51 120.37 3dpg h ILE 68 Ca -0.01 -1.39 0.00 0.00 -0.39 0.00 0.00 64.86 63.08 3dpg h ILE 68 Cb 0.31 1.70 0.00 0.00 -3.07 0.00 0.00 36.82 35.76 3dpg h ILE 68 CO 0.01 0.40 0.00 0.61 -0.69 0.00 0.00 178.15 178.48 3dpg n GLY 69 N -0.35 -1.16 0.15 5.37 0.00 0.11 -4.20 105.19 105.12 3dpg n GLY 69 Ca -0.02 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 3dpg n GLY 69 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3dpg h ARG 70 N 0.00 0.45 -0.65 1.61 9.65 -1.05 -2.70 114.38 121.68 3dpg h ARG 70 Ca 0.00 -0.26 0.06 0.00 -1.10 0.00 0.00 59.98 58.68 3dpg h ARG 70 Cb 0.20 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.75 3dpg h ARG 70 CO 0.00 0.84 0.35 -1.35 2.80 0.00 0.00 179.97 182.62 3dpg h PRO 71 N 0.09 0.63 -0.48 0.20 0.11 -1.78 0.35 132.00 131.11 3dpg h PRO 71 Ca 0.02 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 3dpg h PRO 71 Cb 0.79 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3dpg h PRO 71 CO 0.05 0.42 -0.19 0.28 -0.21 0.00 0.00 178.00 178.35 3dpg h VAL 72 N 0.65 1.27 -0.47 3.15 2.07 -1.83 0.59 116.25 121.68 3dpg h VAL 72 Ca 0.29 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 3dpg h VAL 72 Cb 0.19 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3dpg h VAL 72 CO -0.19 0.46 0.22 -0.08 0.02 0.00 0.00 177.57 178.00 3dpg h GLU 73 N 0.83 0.68 -0.84 1.57 4.81 -1.06 -0.27 114.58 120.30 3dpg h GLU 73 Ca 0.12 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3dpg h GLU 73 Cb 0.75 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 3dpg h GLU 73 CO 0.06 0.59 0.48 -0.91 -0.73 0.00 0.00 179.01 178.50 3dpg h ASN 74 N 0.62 1.02 -0.43 1.04 2.35 -0.11 -2.14 115.58 117.94 3dpg h ASN 74 Ca 0.16 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 3dpg h ASN 74 Cb 0.14 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3dpg h ASN 74 CO -0.02 0.80 -0.02 0.00 -1.65 0.00 0.00 177.43 176.55 3dpg h ALA 75 N 1.37 0.58 -0.69 -0.83 0.00 -0.39 -1.90 119.26 117.40 3dpg h ALA 75 Ca 0.30 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3dpg h ALA 75 Cb -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3dpg h ALA 75 CO -0.05 0.38 0.23 0.28 0.00 0.00 0.00 179.25 180.09 3dpg h VAL 76 N 0.60 1.25 0.03 0.00 2.07 -0.90 -0.62 116.25 118.67 3dpg h VAL 76 Ca 0.12 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3dpg h VAL 76 Cb 0.52 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3dpg h VAL 76 CO 0.03 0.33 -0.01 0.74 0.02 0.00 0.00 177.57 178.67 3dpg h THR 77 N 1.01 1.02 -0.46 2.57 2.02 -1.17 -0.20 112.91 117.71 3dpg h THR 77 Ca 0.23 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.28 3dpg h THR 77 Cb 0.26 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 3dpg h THR 77 CO -0.01 0.04 0.24 -0.08 0.37 0.00 0.00 175.52 176.08 3dpg h GLU 78 N -0.11 0.45 -0.19 6.66 4.81 -1.08 -0.85 114.58 124.27 3dpg h GLU 78 Ca -0.00 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3dpg h GLU 78 Cb 0.10 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3dpg h GLU 78 CO 0.01 0.30 0.08 0.78 -0.73 0.00 0.00 179.01 179.45 3dpg h GLY 79 N 0.47 0.24 1.82 1.92 0.00 -0.95 -1.47 103.07 105.10 3dpg h GLY 79 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3dpg h GLY 79 CO -0.13 0.04 0.01 -0.84 0.00 0.00 0.00 176.54 175.62 3dpg h THR 80 N 0.18 1.10 0.48 4.70 2.02 -0.84 0.10 112.91 120.65 3dpg h THR 80 Ca 0.08 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 3dpg h THR 80 Cb 0.04 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3dpg h THR 80 CO -0.07 0.13 -0.23 -0.74 0.37 0.00 0.00 175.52 174.98 3dpg h HIS 81 N 0.23 -0.59 0.00 3.16 6.17 -0.40 -1.31 115.15 122.41 3dpg h HIS 81 Ca 0.06 -0.01 -0.08 0.00 0.71 0.00 0.00 60.37 61.04 3dpg h HIS 81 Cb 0.14 0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.25 3dpg h HIS 81 CO 0.00 -0.28 -0.38 0.74 0.71 0.00 0.00 177.93 178.73 3dpg h PHE 82 N -0.87 0.00 0.00 5.26 0.04 -1.11 -3.38 116.94 116.88 3dpg h PHE 82 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3dpg h PHE 82 Cb 0.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.73 3dpg h PHE 82 CO 0.00 0.38 -0.00 1.19 -0.60 0.00 0.00 178.31 179.27 3dpg n PHE 83 N -3.27 0.00 0.00 -0.55 3.72 0.00 -5.09 117.46 112.28 3dpg n PHE 83 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3dpg n PHE 83 Cb 0.63 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 3dpg n PHE 83 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3dpg n ARG 84 N -0.53 0.00 0.04 -1.08 5.12 -0.50 -1.72 116.66 118.00 3dpg n ARG 84 Ca 0.00 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.03 3dpg n ARG 84 Cb 0.00 0.00 0.47 0.00 -1.16 0.00 0.00 32.46 31.77 3dpg n ARG 84 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3dpg n ASP 85 N 5.62 0.27 0.18 0.55 8.00 -1.26 -2.26 116.55 127.65 3dpg n ASP 85 Ca 0.00 0.54 0.07 0.00 0.71 0.00 0.00 54.79 56.11 3dpg n ASP 85 Cb 0.00 -0.61 0.22 0.00 -0.02 0.00 0.00 41.12 40.71 3dpg n ASP 85 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3dpg h ASP 86 N 0.00 0.00 -2.80 -2.24 3.32 -1.74 -3.45 116.42 109.50 3dpg h ASP 86 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3dpg h ASP 86 Cb 0.45 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.01 3dpg h ASP 86 CO 0.00 0.33 0.91 0.12 -1.72 0.00 0.00 179.24 178.88 3dpg s PHE 87 N -3.28 2.65 -0.21 4.55 5.36 -0.96 -4.99 117.98 121.10 3dpg s PHE 87 Ca 0.03 0.59 -0.18 0.00 -0.96 0.00 0.00 56.93 56.40 3dpg s PHE 87 Cb 0.08 -3.80 0.06 0.00 -0.34 0.00 0.00 43.02 39.01 3dpg s PHE 87 CO 0.69 -3.11 0.55 0.50 -1.46 0.00 0.00 175.22 172.39 3dpg s ARG 88 N 2.51 0.63 -0.00 10.12 3.52 -1.26 -5.00 118.95 129.47 3dpg s ARG 88 Ca 0.68 0.79 0.00 0.00 -0.13 0.00 0.00 55.73 57.08 3dpg s ARG 88 Cb -0.35 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.33 3dpg s ARG 88 CO 0.29 -0.08 0.00 0.14 -0.81 0.00 0.00 175.30 174.84 3dpg s VAL 89 N 0.42 0.01 0.62 7.11 -7.23 -1.26 -4.22 120.40 115.85 3dpg s VAL 89 Ca -0.01 0.02 -0.19 0.00 -1.81 0.00 0.00 61.98 59.99 3dpg s VAL 89 Cb -0.04 -0.03 -0.02 0.00 0.56 0.00 0.00 36.38 36.85 3dpg s VAL 89 CO -0.01 0.01 1.31 -0.67 -0.31 0.00 0.00 175.10 175.44 3dpg n ASP 90 N 3.20 2.25 0.26 4.85 2.03 -1.26 -4.89 116.55 122.99 3dpg n ASP 90 Ca -0.14 0.87 0.09 0.00 0.52 0.00 0.00 54.79 56.13 3dpg n ASP 90 Cb 0.59 -1.56 0.65 0.00 -0.72 0.00 0.00 41.12 40.08 3dpg n ASP 90 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3dpg h SER 91 N 0.77 0.00 0.69 1.67 4.64 -2.01 -1.91 113.55 117.40 3dpg h SER 91 Ca -0.51 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.76 3dpg h SER 91 Cb 1.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 3dpg h SER 91 CO 0.54 0.05 -0.23 0.78 -0.87 0.00 0.00 176.83 177.10 3dpg h ASN 92 N 0.00 0.00 -0.18 4.97 2.35 -1.99 0.76 115.58 121.49 3dpg h ASN 92 Ca -0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3dpg h ASN 92 Cb 0.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3dpg h ASN 92 CO 0.01 0.23 -0.25 0.00 -1.65 0.00 0.00 177.43 175.77 3dpg h ALA 93 N 1.77 0.27 -0.75 -0.83 0.00 -1.70 -2.42 119.26 115.59 3dpg h ALA 93 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3dpg h ALA 93 Cb 0.64 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3dpg h ALA 93 CO 0.03 0.25 0.31 0.87 0.00 0.00 0.00 179.25 180.71 3dpg h LYS 94 N 0.13 1.11 0.13 0.00 1.57 -1.35 -1.28 116.57 116.88 3dpg h LYS 94 Ca 0.02 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3dpg h LYS 94 Cb 0.82 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3dpg h LYS 94 CO 0.06 0.90 -0.12 0.00 -0.57 0.00 0.00 179.45 179.72 3dpg h ALA 95 N 1.16 -0.24 0.02 3.86 0.00 -0.88 0.10 119.26 123.28 3dpg h ALA 95 Ca 0.25 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3dpg h ALA 95 Cb 0.19 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3dpg h ALA 95 CO -0.02 -0.65 -0.09 -0.22 0.00 0.00 0.00 179.25 178.27 3dpg h LYS 96 N -0.27 -0.16 -0.30 0.00 1.63 -1.30 -2.20 116.57 113.96 3dpg h LYS 96 Ca 0.00 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.74 3dpg h LYS 96 Cb 0.25 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 3dpg h LYS 96 CO -0.03 -0.11 -0.09 0.28 -3.45 0.00 0.00 179.45 176.06 3dpg h VAL 97 N -0.17 1.28 -0.84 2.00 2.07 -1.13 -2.52 116.25 116.95 3dpg h VAL 97 Ca 0.03 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.43 3dpg h VAL 97 Cb 0.20 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3dpg h VAL 97 CO -0.07 0.36 0.55 0.00 0.02 0.00 0.00 177.57 178.43 3dpg h ALA 98 N 0.78 1.44 -0.14 1.67 0.00 -0.79 0.32 119.26 122.55 3dpg h ALA 98 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dpg h ALA 98 Cb 0.58 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3dpg h ALA 98 CO 0.03 0.50 0.05 0.78 0.00 0.00 0.00 179.25 180.61 3dpg h GLY 99 N 1.09 0.22 1.01 0.00 0.00 -1.25 -1.21 103.07 102.93 3dpg h GLY 99 Ca 0.32 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 3dpg h GLY 99 CO -0.08 0.11 0.50 -0.55 0.00 0.00 0.00 176.54 176.53 3dpg h ASP 100 N 0.06 0.95 -0.45 0.19 3.32 -0.99 -2.20 116.42 117.30 3dpg h ASP 100 Ca 0.05 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.06 3dpg h ASP 100 Cb 0.18 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3dpg h ASP 100 CO -0.00 0.72 0.27 0.40 -1.72 0.00 0.00 179.24 178.91 3dpg h ILE 101 N 1.10 1.05 -0.12 0.35 1.08 -0.73 0.15 117.51 120.40 3dpg h ILE 101 Ca 0.29 -0.19 0.03 0.00 -0.39 0.00 0.00 64.86 64.60 3dpg h ILE 101 Cb -0.07 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.11 3dpg h ILE 101 CO -0.06 0.10 -0.04 0.15 -0.69 0.00 0.00 178.15 177.61 3dpg h PHE 102 N 0.54 -0.09 0.10 1.37 3.57 -0.97 0.04 116.94 121.50 3dpg h PHE 102 Ca 0.18 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3dpg h PHE 102 Cb 0.00 0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.80 3dpg h PHE 102 CO -0.07 -0.07 -0.05 1.49 -2.23 0.00 0.00 178.31 177.39 3dpg h GLU 103 N -0.02 -0.13 -0.36 1.11 4.81 -1.14 -1.89 114.58 116.96 3dpg h GLU 103 Ca 0.06 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3dpg h GLU 103 Cb 0.11 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3dpg h GLU 103 CO -0.13 0.16 0.06 0.82 -0.73 0.00 0.00 179.01 179.18 3dpg h ILE 104 N -0.42 1.24 -0.13 2.32 2.04 -0.61 -0.07 117.51 121.88 3dpg h ILE 104 Ca -0.01 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 3dpg h ILE 104 Cb 0.35 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3dpg h ILE 104 CO 0.02 0.29 0.03 0.58 0.00 0.00 0.00 178.15 179.07 3dpg h VAL 105 N 0.44 1.20 -0.94 1.67 2.07 -1.06 -1.01 116.25 118.62 3dpg h VAL 105 Ca 0.11 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.05 3dpg h VAL 105 Cb 0.36 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 3dpg h VAL 105 CO 0.01 0.19 0.61 0.28 0.02 0.00 0.00 177.57 178.67 3dpg h SER 106 N 0.01 1.00 -0.51 0.57 0.02 -1.22 -0.55 113.55 112.87 3dpg h SER 106 Ca 0.04 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3dpg h SER 106 Cb 0.26 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3dpg h SER 106 CO 0.00 0.67 0.11 0.28 -1.14 0.00 0.00 176.83 176.75 3dpg h SER 107 N 1.16 0.83 -0.61 3.07 0.02 -0.81 -1.57 113.55 115.64 3dpg h SER 107 Ca 0.39 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 61.10 3dpg h SER 107 Cb 0.06 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3dpg h SER 107 CO -0.14 0.83 0.08 0.00 -1.14 0.00 0.00 176.83 176.46 3dpg h ALA 108 N 1.28 0.81 -0.41 3.77 0.00 -0.20 0.13 119.26 124.63 3dpg h ALA 108 Ca 0.18 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3dpg h ALA 108 Cb 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3dpg h ALA 108 CO 0.00 0.58 0.23 0.28 0.00 0.00 0.00 179.25 180.33 3dpg h VAL 109 N 0.92 1.01 -0.30 0.00 2.07 -0.74 -1.28 116.25 117.94 3dpg h VAL 109 Ca 0.18 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 3dpg h VAL 109 Cb 0.45 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3dpg h VAL 109 CO 0.01 0.08 -0.15 0.24 0.02 0.00 0.00 177.57 177.78 3dpg h MET 110 N 0.46 0.52 -0.20 1.57 2.86 -1.03 -1.29 114.93 117.83 3dpg h MET 110 Ca 0.17 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3dpg h MET 110 Cb 0.04 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3dpg h MET 110 CO -0.10 0.66 0.12 2.35 1.06 0.00 0.00 176.91 181.01 3dpg h TRP 111 N 0.48 0.23 -0.38 -0.22 2.91 -0.17 0.16 115.95 118.96 3dpg h TRP 111 Ca 0.08 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.04 3dpg h TRP 111 Cb 0.54 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.10 3dpg h TRP 111 CO 0.02 0.14 -0.08 -0.91 -1.03 0.00 0.00 178.44 176.58 3dpg h ASN 112 N 0.25 0.62 -0.23 2.65 4.21 -0.99 -0.50 115.58 121.59 3dpg h ASN 112 Ca 0.07 -0.16 0.03 0.00 1.21 0.00 0.00 56.30 57.45 3dpg h ASN 112 Cb -0.02 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 36.99 3dpg h ASN 112 CO -0.03 0.75 0.06 0.00 -1.29 0.00 0.00 177.43 176.92 3dpg h ALA 114 N 1.16 0.85 -0.29 0.00 0.00 -0.08 -0.08 119.26 120.81 3dpg h ALA 114 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3dpg h ALA 114 Cb 0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3dpg h ALA 114 CO -0.12 0.08 0.02 0.00 0.00 0.00 0.00 179.25 179.23 3dpg h ALA 115 N 1.31 0.28 -0.46 0.00 0.00 -0.65 0.13 119.26 119.88 3dpg h ALA 115 Ca 0.28 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 3dpg h ALA 115 Cb 0.11 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3dpg h ALA 115 CO -0.15 -0.39 -0.04 -0.09 0.00 0.00 0.00 179.25 178.58 3dpg h ARG 116 N 0.12 0.83 -0.33 0.00 2.43 -0.63 -1.01 114.38 115.78 3dpg h ARG 116 Ca 0.14 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3dpg h ARG 116 Cb 0.17 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3dpg h ARG 116 CO -0.21 0.91 0.17 2.35 -1.51 0.00 0.00 179.97 181.67 3dpg h TRP 117 N 0.67 0.31 -0.65 2.20 2.91 -0.83 -1.93 115.95 118.62 3dpg h TRP 117 Ca 0.12 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.13 3dpg h TRP 117 Cb 0.56 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.09 3dpg h TRP 117 CO 0.04 0.17 0.28 -0.91 -1.03 0.00 0.00 178.44 176.99 3dpg h ASN 118 N 0.34 0.88 -0.60 2.65 2.35 -0.43 0.11 115.58 120.89 3dpg h ASN 118 Ca 0.14 -0.15 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3dpg h ASN 118 Cb 0.05 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 3dpg h ASN 118 CO -0.09 0.79 0.36 -1.28 -1.65 0.00 0.00 177.43 175.56 3dpg h SER 119 N 0.91 0.59 -0.37 5.81 0.87 -1.01 -0.86 113.55 119.49 3dpg h SER 119 Ca 0.22 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.81 3dpg h SER 119 Cb 0.17 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 3dpg h SER 119 CO -0.02 0.41 0.19 0.25 -0.53 0.00 0.00 176.83 177.13 3dpg h LEU 120 N 0.72 0.28 -1.62 2.23 5.85 -0.86 -1.09 115.31 120.82 3dpg h LEU 120 Ca 0.24 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3dpg h LEU 120 Cb 0.03 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3dpg h LEU 120 CO -0.10 0.21 0.12 0.24 -0.34 0.00 0.00 178.44 178.56 3dpg h MET 121 N 0.39 0.37 -0.27 1.25 2.86 0.47 -1.39 114.93 118.61 3dpg h MET 121 Ca 0.16 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3dpg h MET 121 Cb 0.06 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3dpg h MET 121 CO -0.10 0.30 0.00 1.33 1.06 0.00 0.00 176.91 179.50 3dpg n VAL 122 N -4.44 0.36 -0.36 -2.22 0.24 -0.45 -1.93 118.33 109.53 3dpg n VAL 122 Ca 0.01 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 3dpg n VAL 122 Cb 0.12 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 3dpg n VAL 122 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dpg n GLY 123 N 1.03 0.81 0.45 7.63 0.00 -0.52 -4.97 105.19 109.62 3dpg n GLY 123 Ca 0.12 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.11 3dpg n GLY 123 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dpg n GLU 124 N -2.36 1.57 0.00 1.61 1.02 -0.43 -5.02 120.64 117.04 3dpg n GLU 124 Ca 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 57.16 56.27 3dpg n GLU 124 Cb 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3dpg n GLU 124 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dpg n GLY 125 N 0.98 -2.40 3.33 0.62 0.00 -1.26 -4.83 105.19 101.63 3dpg n GLY 125 Ca 0.12 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 3dpg n GLY 125 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3dpg s TRP 126 N -0.95 3.29 0.10 1.61 -0.00 -1.26 -3.45 118.94 118.27 3dpg s TRP 126 Ca 0.00 -1.20 -0.36 0.00 -0.00 0.00 0.00 56.10 54.54 3dpg s TRP 126 Cb 0.00 -2.93 -0.17 0.00 -0.00 0.00 0.00 33.47 30.38 3dpg s TRP 126 CO 0.00 -0.79 1.31 0.54 -0.00 0.00 0.00 176.95 178.01 3dpg n ARG 127 N 5.04 1.14 0.00 5.86 1.74 -1.26 -4.88 116.66 124.30 3dpg n ARG 127 Ca -0.11 0.41 0.09 0.00 -0.77 0.00 0.00 57.85 57.47 3dpg n ARG 127 Cb 0.44 -2.03 -0.07 0.00 -1.02 0.00 0.00 32.46 29.78 3dpg n ARG 127 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3dpg n SER 128 N 2.43 1.31 -4.08 0.55 3.41 -1.26 -4.80 113.62 111.19 3dpg n SER 128 Ca 0.18 -1.16 -0.32 0.00 -0.26 0.00 0.00 58.87 57.32 3dpg n SER 128 Cb 0.20 0.78 -0.16 0.00 -0.26 0.00 0.00 64.21 64.77 3dpg n SER 128 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3dpg s GLN 129 N -2.59 2.66 1.20 4.33 -0.21 -1.26 -2.43 119.66 121.36 3dpg s GLN 129 Ca 0.11 -0.70 -0.15 0.00 0.02 0.00 0.00 55.36 54.64 3dpg s GLN 129 Cb 0.15 -2.33 0.29 0.00 1.00 0.00 0.00 33.01 32.13 3dpg s GLN 129 CO 0.67 -0.20 1.02 -2.14 -2.12 0.00 0.00 175.29 172.52 3dpg s PRO 130 N 1.33 -1.20 -0.31 2.91 0.02 -1.26 -5.05 135.00 131.44 3dpg s PRO 130 Ca 0.04 0.62 -0.14 0.00 0.02 0.00 0.00 61.00 61.54 3dpg s PRO 130 Cb -0.13 -1.54 -0.03 0.00 0.02 0.00 0.00 34.50 32.82 3dpg s PRO 130 CO -0.11 -3.85 0.30 0.50 -0.33 0.00 0.00 177.00 173.51 3dpg s ARG 131 N -4.65 3.75 0.27 5.54 3.52 -1.02 -5.04 118.95 121.33 3dpg s ARG 131 Ca 0.68 -0.33 0.11 0.00 -0.13 0.00 0.00 55.73 56.07 3dpg s ARG 131 Cb -0.22 -3.73 -0.05 0.00 -1.56 0.00 0.00 34.95 29.39 3dpg s ARG 131 CO 0.63 -0.37 -0.19 0.71 -0.81 0.00 0.00 175.30 175.27 3dpg s TYR 132 N 1.91 2.22 0.31 5.12 2.02 -1.26 -5.11 117.35 122.56 3dpg s TYR 132 Ca 0.10 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.14 3dpg s TYR 132 Cb -0.16 -0.97 -0.11 0.00 -0.40 0.00 0.00 41.96 40.31 3dpg s TYR 132 CO 0.11 0.67 1.59 0.43 -1.57 0.00 0.00 175.55 176.78 3dpg n SER 133 N -0.55 3.92 -4.69 2.29 7.64 -1.26 -4.93 113.62 116.04 3dpg n SER 133 Ca -0.06 1.16 -0.42 0.00 1.01 0.00 0.00 58.87 60.56 3dpg n SER 133 Cb 0.60 -1.61 -0.03 0.00 -1.01 0.00 0.00 64.21 62.17 3dpg n SER 133 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3dpg s ARG 134 N -0.74 4.35 0.58 1.43 3.52 -1.26 -4.99 118.95 121.84 3dpg s ARG 134 Ca 0.62 1.67 -0.20 0.00 -0.13 0.00 0.00 55.73 57.69 3dpg s ARG 134 Cb -0.48 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.31 3dpg s ARG 134 CO 0.51 -0.45 1.21 -2.30 -0.81 0.00 0.00 175.30 173.46 3dpg n PRO 135 N 5.19 1.31 0.00 5.12 -0.02 -1.26 -4.93 135.00 140.41 3dpg n PRO 135 Ca 0.11 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 62.19 3dpg n PRO 135 Cb 0.46 -2.41 -0.15 0.00 -0.02 0.00 0.00 33.50 31.38 3dpg n PRO 135 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3dpg n THR 136 N -1.39 0.06 -1.70 3.45 -2.24 -1.26 -4.97 114.28 106.24 3dpg n THR 136 Ca 0.13 -0.47 -0.44 0.00 -2.27 0.00 0.00 64.05 61.00 3dpg n THR 136 Cb 0.46 0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 3dpg n THR 136 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3dpg n LEU 137 N -2.25 3.56 -4.68 3.22 7.94 -1.26 -4.87 117.00 118.66 3dpg n LEU 137 Ca -0.03 1.14 -0.45 0.00 -1.11 0.00 0.00 56.01 55.56 3dpg n LEU 137 Cb 0.55 -1.49 -0.04 0.00 0.53 0.00 0.00 43.42 42.98 3dpg n LEU 137 CO 0.45 -0.25 1.49 -1.20 -1.11 0.00 0.00 177.39 176.77 3dpg n SER 138 N 2.21 3.79 -4.72 1.96 7.64 -1.26 -4.91 113.62 118.33 3dpg n SER 138 Ca 0.11 0.97 -0.42 0.00 1.01 0.00 0.00 58.87 60.53 3dpg n SER 138 Cb 0.33 -1.47 -0.01 0.00 -1.01 0.00 0.00 64.21 62.05 3dpg n SER 138 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3dpg n PRO 139 N 6.25 2.36 -3.66 1.43 -0.02 -1.26 -4.98 135.00 135.11 3dpg n PRO 139 Ca 0.20 0.83 -0.13 0.00 -2.02 0.00 0.00 63.50 62.38 3dpg n PRO 139 Cb 0.35 -2.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.25 3dpg n PRO 139 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3dpg s SER 140 N -0.01 -0.68 0.56 2.55 0.15 -0.81 -4.98 113.70 110.48 3dpg s SER 140 Ca 0.59 1.28 0.26 0.00 0.70 0.00 0.00 55.95 58.77 3dpg s SER 140 Cb -0.54 1.28 1.53 0.00 -1.71 0.00 0.00 66.02 66.57 3dpg s SER 140 CO 0.58 -0.22 2.09 -0.65 1.20 0.00 0.00 173.24 176.24 3dpg h PRO 141 N 5.37 0.00 0.00 5.44 0.11 -1.84 0.02 132.00 141.10 3dpg h PRO 141 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3dpg h PRO 141 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dpg h PRO 141 CO 0.12 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.45 3dpg n ARG 142 N -4.07 0.02 -0.83 1.05 1.74 -1.26 -3.00 116.66 110.31 3dpg n ARG 142 Ca 0.03 0.11 0.06 0.00 -0.77 0.00 0.00 57.85 57.28 3dpg n ARG 142 Cb 0.34 -1.52 0.38 0.00 -1.02 0.00 0.00 32.46 30.63 3dpg n ARG 142 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dpg n ARG 143 N -1.56 4.51 -2.85 5.56 1.74 -0.01 -4.80 116.66 119.26 3dpg n ARG 143 Ca 0.06 -3.12 -0.34 0.00 -0.77 0.00 0.00 57.85 53.68 3dpg n ARG 143 Cb 0.28 -2.20 -0.07 0.00 -1.02 0.00 0.00 32.46 29.45 3dpg n ARG 143 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3dpg s GLN 144 N -2.81 4.26 0.18 5.56 -0.21 -1.16 -4.94 119.66 120.54 3dpg s GLN 144 Ca 0.53 1.11 0.06 0.00 0.02 0.00 0.00 55.36 57.07 3dpg s GLN 144 Cb 0.41 -2.30 -0.05 0.00 1.00 0.00 0.00 33.01 32.07 3dpg s GLN 144 CO 0.15 0.04 -0.11 0.14 -2.12 0.00 0.00 175.29 173.38 3dpg s VAL 145 N -2.07 1.43 -0.05 1.09 -7.23 -1.26 -0.33 120.40 111.97 3dpg s VAL 145 Ca 0.59 -2.13 0.06 0.00 -1.81 0.00 0.00 61.98 58.69 3dpg s VAL 145 Cb -0.11 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.84 3dpg s VAL 145 CO 0.15 -0.64 -0.23 0.00 -0.31 0.00 0.00 175.10 174.07 3dpg s ALA 146 N -3.16 1.95 -0.30 1.32 0.00 0.51 -4.75 121.76 117.32 3dpg s ALA 146 Ca 0.20 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 3dpg s ALA 146 Cb 0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3dpg s ALA 146 CO 0.04 0.38 0.23 0.08 0.00 0.00 0.00 175.76 176.49 3dpg s VAL 147 N -0.14 5.29 -0.33 0.00 1.01 -1.26 -1.40 120.40 123.56 3dpg s VAL 147 Ca -0.02 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 3dpg s VAL 147 Cb -0.13 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.71 3dpg s VAL 147 CO 0.03 0.13 0.05 -0.76 0.00 0.00 0.00 175.10 174.55 3dpg s LEU 148 N 1.77 4.39 -0.36 3.92 1.43 0.43 -4.91 118.68 125.35 3dpg s LEU 148 Ca 0.07 -1.69 -0.28 0.00 -1.03 0.00 0.00 54.13 51.20 3dpg s LEU 148 Cb -0.17 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 3dpg s LEU 148 CO 0.11 -0.35 1.69 0.21 0.23 0.00 0.00 176.35 178.24 3dpg s ASN 149 N 1.31 5.99 0.27 2.29 3.84 -1.26 -1.25 114.94 126.13 3dpg s ASN 149 Ca 0.01 1.14 -0.21 0.00 0.21 0.00 0.00 52.86 54.01 3dpg s ASN 149 Cb -0.20 -2.53 -0.09 0.00 -0.55 0.00 0.00 41.25 37.88 3dpg s ASN 149 CO -0.04 -1.66 0.79 -0.76 -2.79 0.00 0.00 177.10 172.65 3dpg s LEU 150 N 6.56 4.29 0.72 3.21 1.43 -0.16 -4.71 118.68 130.03 3dpg s LEU 150 Ca 0.74 1.52 -0.04 0.00 -1.03 0.00 0.00 54.13 55.32 3dpg s LEU 150 Cb -0.20 -3.81 0.11 0.00 0.03 0.00 0.00 46.19 42.32 3dpg s LEU 150 CO 0.33 -0.04 1.01 -2.16 0.23 0.00 0.00 176.35 175.72 3dpg s PRO 151 N -2.18 1.80 0.63 1.29 0.04 -1.26 -4.85 135.00 130.46 3dpg s PRO 151 Ca 0.47 -0.74 -0.19 0.00 0.04 0.00 0.00 61.00 60.59 3dpg s PRO 151 Cb -0.16 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 3dpg s PRO 151 CO 0.21 -1.42 1.29 -0.98 0.04 0.00 0.00 177.00 176.14 3dpg s ARG 152 N -5.22 2.67 -0.23 4.56 1.70 -1.26 -2.55 118.95 118.62 3dpg s ARG 152 Ca 0.64 2.06 0.00 0.00 -0.47 0.00 0.00 55.73 57.97 3dpg s ARG 152 Cb -0.07 -1.90 0.00 0.00 -0.57 0.00 0.00 34.95 32.40 3dpg s ARG 152 CO 0.45 -1.51 0.00 0.43 -1.08 0.00 0.00 175.30 173.59 3dpg n SER 153 N -1.77 -4.99 -4.79 -2.89 7.64 -1.26 -4.97 113.62 100.60 3dpg n SER 153 Ca 0.15 0.05 -0.35 0.00 1.01 0.00 0.00 58.87 59.73 3dpg n SER 153 Cb 0.48 -2.68 -0.05 0.00 -1.01 0.00 0.00 64.21 60.96 3dpg n SER 153 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3dpg s PHE 154 N -1.50 3.21 -0.19 1.43 5.36 -1.06 -5.05 117.98 120.18 3dpg s PHE 154 Ca 0.00 1.62 0.01 0.00 -0.96 0.00 0.00 56.93 57.60 3dpg s PHE 154 Cb 0.00 -3.03 0.02 0.00 -0.34 0.00 0.00 43.02 39.66 3dpg s PHE 154 CO 0.00 -0.54 -0.18 0.34 -1.46 0.00 0.00 175.22 173.38 3dpg s ASP 155 N -1.84 3.26 0.49 6.13 -1.08 -1.26 -4.10 116.67 118.28 3dpg s ASP 155 Ca 0.62 -0.64 0.21 0.00 -0.52 0.00 0.00 52.55 52.22 3dpg s ASP 155 Cb -0.17 -1.50 1.28 0.00 -1.46 0.00 0.00 42.92 41.06 3dpg s ASP 155 CO 0.22 -0.01 2.05 4.11 0.52 0.00 0.00 175.17 182.06 3dpg h TRP 156 N 7.95 0.00 -0.63 -5.34 5.08 -1.70 -1.42 115.95 119.90 3dpg h TRP 156 Ca -0.45 0.00 0.18 0.00 1.08 0.00 0.00 58.89 59.70 3dpg h TRP 156 Cb 1.14 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.27 3dpg h TRP 156 CO 0.48 0.14 0.46 0.28 -1.28 0.00 0.00 178.44 178.52 3dpg h VAL 157 N 0.00 0.64 0.00 0.12 2.07 -1.94 -0.68 116.25 116.46 3dpg h VAL 157 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3dpg h VAL 157 Cb 0.29 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3dpg h VAL 157 CO 0.02 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.07 3dpg n SER 158 N -4.28 0.50 0.18 0.57 3.41 -0.53 -1.20 113.62 112.27 3dpg n SER 158 Ca 0.12 0.65 0.04 0.00 -0.26 0.00 0.00 58.87 59.41 3dpg n SER 158 Cb 0.71 -0.74 0.35 0.00 -0.26 0.00 0.00 64.21 64.27 3dpg n SER 158 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3dpg h LEU 159 N 0.00 0.00-10.23 1.04 4.07 -1.31 -1.16 115.31 107.72 3dpg h LEU 159 Ca 0.00 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.46 3dpg h LEU 159 Cb 0.26 0.00 0.08 0.00 1.08 0.00 0.00 40.66 42.07 3dpg h LEU 159 CO 0.00 0.40 0.37 -0.76 -1.08 0.00 0.00 178.44 177.37 3dpg s LEU 160 N -7.65 3.40 0.53 1.67 1.43 -0.34 -1.71 118.68 116.01 3dpg s LEU 160 Ca -0.02 1.80 -0.22 0.00 -1.03 0.00 0.00 54.13 54.67 3dpg s LEU 160 Cb 0.13 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 3dpg s LEU 160 CO 0.71 -1.31 1.32 0.68 0.23 0.00 0.00 176.35 177.98 3dpg s VAL 161 N -2.56 2.27 0.35 -1.59 -7.23 -0.31 -3.46 120.40 107.87 3dpg s VAL 161 Ca 0.63 0.20 0.12 0.00 -1.81 0.00 0.00 61.98 61.12 3dpg s VAL 161 Cb -0.16 -3.10 0.34 0.00 0.56 0.00 0.00 36.38 34.02 3dpg s VAL 161 CO 0.41 -0.00 1.78 -0.65 -0.31 0.00 0.00 175.10 176.34 3dpg h PRO 162 N 1.59 0.56 -0.85 4.82 0.11 -1.93 0.42 132.00 136.71 3dpg h PRO 162 Ca -0.51 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.59 3dpg h PRO 162 Cb 1.29 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 3dpg h PRO 162 CO 0.58 0.37 0.56 1.49 -0.21 0.00 0.00 178.00 180.79 3dpg h GLU 163 N 0.57 1.07 0.06 1.05 4.81 -1.97 0.76 114.58 120.93 3dpg h GLU 163 Ca 0.57 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.50 3dpg h GLU 163 Cb 1.16 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3dpg h GLU 163 CO -0.33 0.71 -1.09 0.77 -0.73 0.00 0.00 179.01 178.33 3dpg h SER 164 N 1.10 0.22 -0.57 1.04 0.02 -1.30 -2.97 113.55 111.10 3dpg h SER 164 Ca 0.33 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3dpg h SER 164 Cb -0.04 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 3dpg h SER 164 CO -0.09 1.16 0.17 1.56 -1.14 0.00 0.00 176.83 178.49 3dpg h GLN 165 N 0.05 0.93 -0.77 3.45 4.20 -0.63 -2.80 115.11 119.53 3dpg h GLN 165 Ca -0.07 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 3dpg h GLN 165 Cb 1.82 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 29.43 3dpg h GLN 165 CO 0.16 0.81 0.27 0.93 -0.67 0.00 0.00 178.83 180.33 3dpg h GLU 166 N 0.89 1.18 -0.48 1.46 5.08 -0.84 -0.72 114.58 121.17 3dpg h GLU 166 Ca 0.20 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3dpg h GLU 166 Cb 0.28 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3dpg h GLU 166 CO -0.01 0.99 0.26 0.28 -1.00 0.00 0.00 179.01 179.53 3dpg h VAL 167 N 1.14 1.00 -0.52 3.13 2.07 -1.35 -1.17 116.25 120.56 3dpg h VAL 167 Ca 0.25 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.49 3dpg h VAL 167 Cb 0.28 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3dpg h VAL 167 CO -0.01 0.09 -0.08 0.40 0.02 0.00 0.00 177.57 177.99 3dpg h ILE 168 N 0.52 1.27 -0.74 4.57 2.04 -1.21 -1.96 117.51 122.00 3dpg h ILE 168 Ca 0.20 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 3dpg h ILE 168 Cb 0.07 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3dpg h ILE 168 CO -0.12 0.43 0.33 -0.33 0.00 0.00 0.00 178.15 178.47 3dpg h GLU 169 N 0.83 1.07 -0.82 2.37 4.39 -0.94 -1.00 114.58 120.49 3dpg h GLU 169 Ca 0.14 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 3dpg h GLU 169 Cb 0.64 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 3dpg h GLU 169 CO 0.04 0.86 0.39 0.93 -1.16 0.00 0.00 179.01 180.07 3dpg h GLU 170 N 1.04 1.18 -0.46 2.33 3.07 -1.01 0.36 114.58 121.09 3dpg h GLU 170 Ca 0.25 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 3dpg h GLU 170 Cb 0.15 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 3dpg h GLU 170 CO -0.03 0.91 0.18 0.35 -1.40 0.00 0.00 179.01 179.02 3dpg h PHE 171 N 1.16 0.70 -0.01 4.33 3.57 -1.02 -2.84 116.94 122.82 3dpg h PHE 171 Ca 0.28 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.61 3dpg h PHE 171 Cb 0.12 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3dpg h PHE 171 CO 0.01 0.60 -0.55 0.00 -2.23 0.00 0.00 178.31 176.14 3dpg h ARG 172 N 0.60 0.03 -0.27 1.11 3.08 -0.79 -2.94 114.38 115.19 3dpg h ARG 172 Ca 0.15 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.23 3dpg h ARG 172 Cb 0.19 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 3dpg h ARG 172 CO -0.01 0.57 0.03 0.00 -1.07 0.00 0.00 179.97 179.49 3dpg h ALA 173 N 1.43 0.26 -0.87 0.04 0.00 -0.07 0.97 119.26 121.03 3dpg h ALA 173 Ca -0.00 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3dpg h ALA 173 Cb 0.98 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3dpg h ALA 173 CO 0.07 -0.38 0.56 0.78 0.00 0.00 0.00 179.25 180.28 3dpg h GLY 174 N 0.12 1.29 0.95 0.00 0.00 -1.37 -2.17 103.07 101.90 3dpg h GLY 174 Ca 0.13 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 3dpg h GLY 174 CO -0.19 0.34 0.06 1.41 0.00 0.00 0.00 176.54 178.16 3dpg h LEU 175 N 1.06 0.69 -1.94 3.11 3.38 -1.20 -2.69 115.31 117.72 3dpg h LEU 175 Ca 0.36 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3dpg h LEU 175 Cb 0.06 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3dpg h LEU 175 CO -0.13 0.78 -0.11 0.03 0.09 0.00 0.00 178.44 179.10 3dpg h ARG 176 N 0.57 0.00 0.00 1.13 3.08 -0.50 0.18 114.38 118.84 3dpg h ARG 176 Ca 0.13 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 3dpg h ARG 176 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3dpg h ARG 176 CO 0.01 0.11 -0.20 1.57 -1.07 0.00 0.00 179.97 180.39 3dpg h LYS 177 N 0.00 0.00 -0.56 0.04 2.10 -1.05 -2.50 116.57 114.59 3dpg h LYS 177 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3dpg h LYS 177 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 3dpg h LYS 177 CO 0.01 0.20 0.00 -0.25 -2.00 0.00 0.00 179.45 177.41 3dpg n ASP 178 N -3.55 4.56 -0.77 7.07 8.00 -0.23 -4.92 116.55 126.70 3dpg n ASP 178 Ca -0.01 -2.51 -0.09 0.00 0.71 0.00 0.00 54.79 52.89 3dpg n ASP 178 Cb 0.35 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 3dpg n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dpg n GLY 179 N 0.82 0.81 0.00 0.44 0.00 -0.94 -5.01 105.19 101.30 3dpg n GLY 179 Ca 0.24 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3dpg n GLY 179 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dpg n LEU 180 N -1.09 0.00 0.00 0.99 4.77 0.46 -4.97 117.00 117.16 3dpg n LEU 180 Ca -0.09 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.92 3dpg n LEU 180 Cb 0.37 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.47 3dpg n LEU 180 CO 0.13 -0.08 0.94 0.61 -1.33 0.00 0.00 177.39 177.66 3dpg n GLY 181 N 5.00 0.21 2.65 -0.72 0.00 -1.26 -3.31 105.19 107.76 3dpg n GLY 181 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 3dpg n GLY 181 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dpg n LEU 182 N 0.00 -2.29 -4.63 0.99 7.94 -1.26 -5.03 117.00 112.72 3dpg n LEU 182 Ca 0.05 -3.61 -0.34 0.00 -1.11 0.00 0.00 56.01 51.00 3dpg n LEU 182 Cb 0.47 0.82 0.12 0.00 0.53 0.00 0.00 43.42 45.37 3dpg n LEU 182 CO 0.12 2.03 0.59 -2.65 -1.11 0.00 0.00 177.39 176.36 3dpg n PRO 183 N 1.38 0.15 -5.11 1.96 -0.02 -1.26 -5.03 135.00 127.07 3dpg n PRO 183 Ca 0.11 0.12 -0.29 0.00 -2.02 0.00 0.00 63.50 61.42 3dpg n PRO 183 Cb 0.63 -2.30 -0.16 0.00 -0.02 0.00 0.00 33.50 31.65 3dpg n PRO 183 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3dpg s THR 184 N -2.13 1.78 0.00 3.45 -4.23 -1.26 -5.07 115.64 108.19 3dpg s THR 184 Ca 0.71 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 3dpg s THR 184 Cb -0.29 -1.49 0.00 0.00 1.34 0.00 0.00 72.50 72.05 3dpg s THR 184 CO 0.53 0.50 0.00 -1.54 -0.54 0.00 0.00 174.62 173.58 3dpg n SER 185 N 2.71 0.00 -3.63 3.99 3.41 -1.26 -4.75 113.62 114.09 3dpg n SER 185 Ca -0.16 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.36 3dpg n SER 185 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 3dpg n SER 185 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3dpg s THR 186 N 2.58 0.00 0.99 6.66 -1.32 -1.26 -2.03 115.64 121.26 3dpg s THR 186 Ca 0.00 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.35 3dpg s THR 186 Cb 0.00 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.17 3dpg s THR 186 CO 0.00 0.00 1.12 -2.16 -2.21 0.00 0.00 174.62 171.37 3dpg s PRO 187 N -0.08 0.52 0.35 7.08 0.04 -1.26 -4.94 135.00 136.70 3dpg s PRO 187 Ca 0.03 0.34 0.08 0.00 0.04 0.00 0.00 61.00 61.49 3dpg s PRO 187 Cb -0.04 -1.76 0.66 0.00 0.04 0.00 0.00 34.50 33.39 3dpg s PRO 187 CO -0.06 -2.63 1.83 -0.44 0.04 0.00 0.00 177.00 175.74 3dpg h ASP 188 N -1.81 0.23 -4.49 6.66 3.32 -1.57 -3.43 116.42 115.32 3dpg h ASP 188 Ca -0.52 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.36 3dpg h ASP 188 Cb 1.33 -0.06 -0.21 0.00 0.22 0.00 0.00 39.33 40.60 3dpg h ASP 188 CO 0.57 0.48 -0.14 -0.22 -1.72 0.00 0.00 179.24 178.21 3dpg s LEU 189 N -8.56 0.27 -0.01 1.55 0.20 -0.94 -0.99 118.68 110.22 3dpg s LEU 189 Ca -0.05 0.60 0.03 0.00 0.69 0.00 0.00 54.13 55.40 3dpg s LEU 189 Cb 0.15 1.66 -0.01 0.00 -0.43 0.00 0.00 46.19 47.56 3dpg s LEU 189 CO 0.75 -0.35 -0.10 0.00 -0.29 0.00 0.00 176.35 176.36 3dpg s ALA 190 N -0.57 0.84 -0.21 5.97 0.00 -0.38 -0.91 121.76 126.50 3dpg s ALA 190 Ca -0.07 -0.43 -0.07 0.00 0.00 0.00 0.00 51.96 51.39 3dpg s ALA 190 Cb -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3dpg s ALA 190 CO 0.04 0.21 0.05 0.08 0.00 0.00 0.00 175.76 176.13 3dpg s VAL 191 N -0.23 4.39 0.09 0.00 1.01 0.13 -0.43 120.40 125.36 3dpg s VAL 191 Ca 0.04 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.92 3dpg s VAL 191 Cb -0.04 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3dpg s VAL 191 CO -0.00 0.40 -0.16 0.68 0.00 0.00 0.00 175.10 176.02 3dpg s VAL 192 N 1.02 1.35 0.32 2.92 -7.23 -0.49 -0.33 120.40 117.96 3dpg s VAL 192 Ca 0.03 -1.47 -0.29 0.00 -1.81 0.00 0.00 61.98 58.44 3dpg s VAL 192 Cb -0.14 -1.32 -0.11 0.00 0.56 0.00 0.00 36.38 35.37 3dpg s VAL 192 CO 0.03 -0.22 1.56 -0.69 -0.31 0.00 0.00 175.10 175.47 3dpg s VAL 193 N -1.43 2.05 0.13 1.32 1.01 -0.21 -0.37 120.40 122.91 3dpg s VAL 193 Ca 0.03 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.74 3dpg s VAL 193 Cb -0.09 -3.03 -0.09 0.00 0.00 0.00 0.00 36.38 33.18 3dpg s VAL 193 CO 0.03 0.01 1.45 -0.22 0.00 0.00 0.00 175.10 176.37 3dpg s LEU 194 N -1.03 4.37 0.41 3.92 2.96 0.55 -4.75 118.68 125.11 3dpg s LEU 194 Ca 0.60 2.43 -0.27 0.00 -0.22 0.00 0.00 54.13 56.67 3dpg s LEU 194 Cb -0.47 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.53 3dpg s LEU 194 CO 0.53 -0.71 1.44 -2.65 -1.32 0.00 0.00 176.35 173.64 3dpg n PRO 195 N 3.92 2.41 -0.24 0.98 -0.02 -1.26 -4.86 135.00 135.92 3dpg n PRO 195 Ca 0.12 0.85 0.16 0.00 -2.02 0.00 0.00 63.50 62.61 3dpg n PRO 195 Cb 0.41 -2.61 0.47 0.00 -0.02 0.00 0.00 33.50 31.74 3dpg n PRO 195 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3dpg h GLU 196 N 2.58 0.48 -0.51 -0.52 4.81 -1.93 0.29 114.58 119.78 3dpg h GLU 196 Ca -0.50 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 58.85 3dpg h GLU 196 Cb 1.26 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3dpg h GLU 196 CO 0.62 0.32 0.51 0.93 -0.73 0.00 0.00 179.01 180.66 3dpg h GLU 197 N 0.50 0.00 -0.16 1.92 5.08 -2.00 -2.21 114.58 117.71 3dpg h GLU 197 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3dpg h GLU 197 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3dpg h GLU 197 CO -0.18 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.02 3dpg n PHE 198 N -3.77 0.20 1.52 4.33 0.99 0.10 -4.71 117.46 116.12 3dpg n PHE 198 Ca 0.10 -0.24 0.13 0.00 -0.00 0.00 0.00 57.45 57.43 3dpg n PHE 198 Cb 0.71 -0.01 0.73 0.00 -1.00 0.00 0.00 39.48 39.92 3dpg n PHE 198 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3dpg n GLN 199 N 0.51 0.71 -0.32 -1.08 6.02 -0.83 -1.65 117.38 120.74 3dpg n GLN 199 Ca 0.08 0.01 0.07 0.00 -0.01 0.00 0.00 57.00 57.15 3dpg n GLN 199 Cb 0.33 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.21 3dpg n GLN 199 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3dpg n ASN 200 N -1.06 1.71 -4.67 1.08 5.15 -1.26 -4.98 115.26 111.23 3dpg n ASN 200 Ca 0.18 -2.95 -0.39 0.00 -0.60 0.00 0.00 54.58 50.82 3dpg n ASN 200 Cb 0.11 -0.39 -0.07 0.00 -0.53 0.00 0.00 39.78 38.90 3dpg n ASN 200 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3dpg s ASP 201 N -2.52 6.52 0.41 1.20 1.01 -0.66 -4.99 116.67 117.65 3dpg s ASP 201 Ca 0.27 0.62 0.26 0.00 0.71 0.00 0.00 52.55 54.41 3dpg s ASP 201 Cb 0.25 -2.27 0.67 0.00 1.01 0.00 0.00 42.92 42.58 3dpg s ASP 201 CO -0.00 -0.13 1.72 -0.33 0.21 0.00 0.00 175.17 176.64 3dpg h GLU 202 N 7.39 0.00 -0.65 8.23 5.08 -1.95 -3.20 114.58 129.48 3dpg h GLU 202 Ca -0.35 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.18 3dpg h GLU 202 Cb 1.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 3dpg h GLU 202 CO 0.73 0.00 0.46 0.00 -1.00 0.00 0.00 179.01 179.20 3dpg h MET 203 N 0.00 0.08 0.00 2.33 -0.00 -1.96 0.24 114.93 115.62 3dpg h MET 203 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3dpg h MET 203 Cb 0.82 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.40 3dpg h MET 203 CO 0.00 0.05 0.00 0.91 -0.00 0.00 0.00 176.91 177.87 3dpg n TRP 204 N -4.38 0.11 0.28 -0.10 7.02 -1.21 -2.92 117.44 116.25 3dpg n TRP 204 Ca 0.12 0.03 0.06 0.00 -1.02 0.00 0.00 57.50 56.70 3dpg n TRP 204 Cb 0.66 -0.55 0.08 0.00 -2.42 0.00 0.00 31.31 29.08 3dpg n TRP 204 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3dpg n ARG 205 N -1.59 1.33 -3.44 -0.99 1.74 0.05 -3.80 116.66 109.95 3dpg n ARG 205 Ca 0.06 -1.48 -0.39 0.00 -0.77 0.00 0.00 57.85 55.28 3dpg n ARG 205 Cb 0.33 -1.25 -0.09 0.00 -1.02 0.00 0.00 32.46 30.43 3dpg n ARG 205 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3dpg s GLU 206 N -0.99 4.03 0.04 5.56 2.02 -1.09 -4.57 118.70 123.69 3dpg s GLU 206 Ca 0.17 -0.02 -0.30 0.00 0.02 0.00 0.00 54.97 54.84 3dpg s GLU 206 Cb 0.11 -3.63 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 3dpg s GLU 206 CO 0.15 -0.20 1.05 -1.21 0.02 0.00 0.00 175.26 175.07 3dpg s GLU 207 N 1.85 4.54 0.41 1.61 2.02 -1.26 -4.83 118.70 123.03 3dpg s GLU 207 Ca 0.14 1.55 -0.21 0.00 0.02 0.00 0.00 54.97 56.47 3dpg s GLU 207 Cb -0.16 -3.40 -0.11 0.00 0.10 0.00 0.00 34.13 30.56 3dpg s GLU 207 CO 0.09 -0.08 0.93 0.96 0.02 0.00 0.00 175.26 177.19 3dpg s ILE 208 N 0.83 4.41 -0.10 -1.63 -4.36 -1.26 -4.98 121.20 114.10 3dpg s ILE 208 Ca 0.53 1.46 0.14 0.00 -0.26 0.00 0.00 60.65 62.53 3dpg s ILE 208 Cb -0.24 -3.63 -0.05 0.00 1.25 0.00 0.00 42.46 39.79 3dpg s ILE 208 CO 0.29 -0.28 1.20 0.00 0.24 0.00 0.00 174.94 176.39 3dpg h ALA 209 N 2.02 0.62 0.00 2.27 0.00 -1.95 -3.45 119.26 118.77 3dpg h ALA 209 Ca -0.49 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.74 3dpg h ALA 209 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3dpg h ALA 209 CO 0.62 0.84 0.00 0.41 0.00 0.00 0.00 179.25 181.12 3dpg n GLY 210 N 1.31 -0.21 2.40 0.00 0.00 -1.25 -2.85 105.19 104.59 3dpg n GLY 210 Ca -0.03 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 3dpg n GLY 210 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dpg n LEU 211 N 0.00 7.34 -4.68 0.99 4.77 0.95 -4.73 117.00 121.64 3dpg n LEU 211 Ca 0.00 -4.37 -0.31 0.00 -0.03 0.00 0.00 56.01 51.30 3dpg n LEU 211 Cb 0.00 -1.35 0.16 0.00 -2.33 0.00 0.00 43.42 39.90 3dpg n LEU 211 CO 0.00 1.92 0.68 0.42 -1.33 0.00 0.00 177.39 179.08 3dpg s THR 212 N -0.80 2.12 0.19 -5.08 -4.23 -1.26 -3.58 115.64 103.00 3dpg s THR 212 Ca 0.59 0.04 -0.12 0.00 -1.18 0.00 0.00 61.69 61.02 3dpg s THR 212 Cb 0.26 -2.08 0.09 0.00 1.34 0.00 0.00 72.50 72.11 3dpg s THR 212 CO -0.12 -0.05 1.77 -0.09 -0.54 0.00 0.00 174.62 175.59 3dpg h ARG 213 N -1.83 0.44 -0.81 3.99 9.65 -1.91 -0.30 114.38 123.60 3dpg h ARG 213 Ca -0.43 -0.03 0.10 0.00 -1.10 0.00 0.00 59.98 58.53 3dpg h ARG 213 Cb 1.27 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 29.69 3dpg h ARG 213 CO 0.42 0.29 0.53 -1.35 2.80 0.00 0.00 179.97 182.66 3dpg h PRO 214 N 0.45 0.69 0.02 0.20 0.11 -1.97 -1.66 132.00 129.85 3dpg h PRO 214 Ca 0.24 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 66.10 3dpg h PRO 214 Cb 0.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3dpg h PRO 214 CO -0.20 0.46 -0.95 -0.91 -0.21 0.00 0.00 178.00 176.19 3dpg h ASN 215 N 0.72 0.29 -0.29 -2.05 2.35 -1.54 -1.88 115.58 113.18 3dpg h ASN 215 Ca 0.38 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3dpg h ASN 215 Cb 0.50 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 3dpg h ASN 215 CO -0.15 1.09 0.10 1.56 -1.65 0.00 0.00 177.43 178.38 3dpg h GLN 216 N 0.11 0.23 -0.58 0.81 4.20 -0.54 -1.69 115.11 117.65 3dpg h GLN 216 Ca -0.06 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 3dpg h GLN 216 Cb 1.60 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.31 3dpg h GLN 216 CO 0.15 0.15 0.20 0.82 -0.67 0.00 0.00 178.83 179.47 3dpg h ILE 217 N 0.23 1.24 -0.03 2.54 5.03 -1.27 0.54 117.51 125.79 3dpg h ILE 217 Ca 0.13 -0.78 0.03 0.00 -0.12 0.00 0.00 64.86 64.12 3dpg h ILE 217 Cb 0.10 0.65 -0.05 0.00 -3.03 0.00 0.00 36.82 34.49 3dpg h ILE 217 CO -0.13 0.30 -0.25 0.25 -0.68 0.00 0.00 178.15 177.64 3dpg h LEU 218 N 0.81 -0.74 -0.45 1.44 5.85 -1.16 0.18 115.31 121.23 3dpg h LEU 218 Ca 0.19 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 3dpg h LEU 218 Cb 0.26 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3dpg h LEU 218 CO -0.01 -0.31 0.06 -0.07 -0.34 0.00 0.00 178.44 177.77 3dpg h LEU 219 N -0.37 0.73 -0.71 2.25 4.07 -1.16 -2.33 115.31 117.80 3dpg h LEU 219 Ca 0.07 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.76 3dpg h LEU 219 Cb 0.47 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.01 3dpg h LEU 219 CO -0.24 0.82 0.00 0.77 -1.08 0.00 0.00 178.44 178.71 3dpg h SER 220 N 0.62 0.00 0.16 -0.43 4.64 -0.74 -3.14 113.55 114.66 3dpg h SER 220 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3dpg h SER 220 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3dpg h SER 220 CO 0.01 0.00 -0.77 0.61 -0.87 0.00 0.00 176.83 175.82 3dpg n GLY 221 N 0.57 -0.96 0.36 -0.77 0.00 0.60 -4.57 105.19 100.43 3dpg n GLY 221 Ca 0.02 -0.52 0.08 0.00 0.00 0.00 0.00 46.02 45.61 3dpg n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpg h ALA 222 N 3.12 1.59 -0.59 4.61 0.00 -1.36 -1.97 119.26 124.65 3dpg h ALA 222 Ca 0.00 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.04 3dpg h ALA 222 Cb 0.52 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3dpg h ALA 222 CO 0.00 0.16 0.40 0.10 0.00 0.00 0.00 179.25 179.90 3dpg h TYR 223 N 0.93 0.37 -0.04 0.00 -0.00 -1.82 0.74 116.97 117.16 3dpg h TYR 223 Ca 0.50 0.01 0.01 0.00 0.00 0.00 0.00 58.73 59.25 3dpg h TYR 223 Cb 0.56 -0.12 -0.00 0.00 0.00 0.00 0.00 36.73 37.17 3dpg h TYR 223 CO -0.00 0.17 0.03 1.96 -0.00 0.00 0.00 178.16 180.32 3dpg h GLN 224 N 0.35 0.00 0.00 0.10 4.20 -1.69 -1.17 115.11 116.89 3dpg h GLN 224 Ca 0.27 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.95 3dpg h GLN 224 Cb 0.61 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 3dpg h GLN 224 CO -0.07 0.00 -0.17 0.00 -0.67 0.00 0.00 178.83 177.92 3dpg h ARG 225 N 0.00 0.00 0.00 1.46 3.08 -0.99 -3.26 114.38 114.67 3dpg h ARG 225 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3dpg h ARG 225 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3dpg h ARG 225 CO -0.00 0.17 -0.77 1.28 -1.07 0.00 0.00 179.97 179.58 3dpg n LEU 226 N -3.22 0.68 -4.65 3.04 4.32 -0.51 -4.96 117.00 111.69 3dpg n LEU 226 Ca 0.02 -0.47 -0.48 0.00 -0.02 0.00 0.00 56.01 55.06 3dpg n LEU 226 Cb 0.48 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.24 3dpg n LEU 226 CO 0.33 0.17 1.12 0.00 -1.22 0.00 0.00 177.39 177.79 3dpg n GLN 227 N -1.39 1.89 -1.18 3.23 6.02 -0.80 -1.49 117.38 123.66 3dpg n GLN 227 Ca 0.03 0.68 -0.06 0.00 -0.01 0.00 0.00 57.00 57.64 3dpg n GLN 227 Cb 0.24 -2.42 -0.03 0.00 1.02 0.00 0.00 30.24 29.06 3dpg n GLN 227 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dpg n GLY 228 N 3.19 0.86 0.00 1.08 0.00 -0.44 -4.88 105.19 105.00 3dpg n GLY 228 Ca 0.17 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3dpg n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpg n ARG 229 N -2.77 2.19 -3.44 1.61 1.74 -0.55 -4.20 116.66 111.24 3dpg n ARG 229 Ca -0.06 -0.13 -0.37 0.00 -0.77 0.00 0.00 57.85 56.51 3dpg n ARG 229 Cb 0.21 -0.53 -0.06 0.00 -1.02 0.00 0.00 32.46 31.06 3dpg n ARG 229 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dpg s VAL 230 N -0.35 5.19 0.46 1.55 1.01 -0.74 -4.75 120.40 122.76 3dpg s VAL 230 Ca 0.00 0.78 -0.22 0.00 0.00 0.00 0.00 61.98 62.55 3dpg s VAL 230 Cb 0.00 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 3dpg s VAL 230 CO 0.00 0.42 1.05 -1.10 0.00 0.00 0.00 175.10 175.47 3dpg s GLN 231 N 0.10 3.91 0.26 2.72 -1.52 -1.26 -1.16 119.66 122.71 3dpg s GLN 231 Ca 0.22 1.44 -0.01 0.00 -1.95 0.00 0.00 55.36 55.06 3dpg s GLN 231 Cb -0.15 -2.26 0.51 0.00 -0.22 0.00 0.00 33.01 30.89 3dpg s GLN 231 CO 0.09 -0.35 1.79 -1.35 -0.25 0.00 0.00 175.29 175.22 3dpg h PRO 232 N 1.89 0.71 0.00 2.91 0.11 -1.97 0.16 132.00 135.81 3dpg h PRO 232 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3dpg h PRO 232 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3dpg h PRO 232 CO 0.60 0.47 0.00 0.41 -0.21 0.00 0.00 178.00 179.27 3dpg n GLY 233 N -1.33 -0.96 0.93 -0.55 0.00 -1.26 -3.28 105.19 98.74 3dpg n GLY 233 Ca 0.17 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3dpg n GLY 233 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dpg n GLU 234 N -1.20 2.28 -2.64 1.61 1.02 0.54 -4.71 120.64 117.55 3dpg n GLU 234 Ca 0.13 -1.86 -0.42 0.00 -0.02 0.00 0.00 57.16 54.99 3dpg n GLU 234 Cb 0.15 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 3dpg n GLU 234 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3dpg s ILE 235 N -1.97 3.90 -0.10 -3.67 1.01 -1.21 -1.04 121.20 118.13 3dpg s ILE 235 Ca 0.30 0.12 0.16 0.00 0.00 0.00 0.00 60.65 61.22 3dpg s ILE 235 Cb 0.20 -4.86 -0.17 0.00 0.01 0.00 0.00 42.46 37.64 3dpg s ILE 235 CO 0.30 -1.75 0.74 -1.20 0.00 0.00 0.00 174.94 173.03 3dpg n SER 236 N 8.87 0.83 -3.64 3.58 7.64 0.55 -4.79 113.62 126.67 3dpg n SER 236 Ca 0.03 0.38 -0.10 0.00 1.01 0.00 0.00 58.87 60.18 3dpg n SER 236 Cb 0.48 0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.74 3dpg n SER 236 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3dpg s LEU 237 N -5.85 -0.77 -0.05 -3.43 2.96 -0.96 -4.51 118.68 106.06 3dpg s LEU 237 Ca -0.04 1.37 0.05 0.00 -0.22 0.00 0.00 54.13 55.29 3dpg s LEU 237 Cb 0.08 2.33 -0.02 0.00 0.50 0.00 0.00 46.19 49.08 3dpg s LEU 237 CO 0.82 -0.23 -0.18 0.00 -1.32 0.00 0.00 176.35 175.44 3dpg s ALA 238 N 0.85 2.50 -0.02 5.97 0.00 -0.20 0.19 121.76 131.06 3dpg s ALA 238 Ca -0.04 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 50.96 3dpg s ALA 238 Cb -0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 3dpg s ALA 238 CO -0.08 0.53 -0.16 0.08 0.00 0.00 0.00 175.76 176.12 3dpg s VAL 239 N -0.61 1.31 -0.16 0.00 1.01 -0.08 -1.17 120.40 120.71 3dpg s VAL 239 Ca 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3dpg s VAL 239 Cb -0.11 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 3dpg s VAL 239 CO 0.01 0.37 -0.15 0.00 0.00 0.00 0.00 175.10 175.33 3dpg s ALA 240 N -0.26 2.51 -0.19 5.51 0.00 -0.26 -1.34 121.76 127.72 3dpg s ALA 240 Ca 0.04 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 3dpg s ALA 240 Cb -0.08 -1.24 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 3dpg s ALA 240 CO 0.00 -0.03 0.17 -0.06 0.00 0.00 0.00 175.76 175.84 3dpg s PHE 241 N 0.81 3.41 -0.18 0.00 0.08 -1.26 -0.62 117.98 120.23 3dpg s PHE 241 Ca -0.05 0.38 -0.04 0.00 0.12 0.00 0.00 56.93 57.34 3dpg s PHE 241 Cb -0.15 -2.21 0.06 0.00 -0.57 0.00 0.00 43.02 40.15 3dpg s PHE 241 CO -0.00 0.26 0.08 0.15 -0.10 0.00 0.00 175.22 175.61 3dpg s LYS 242 N 0.44 0.21 0.27 0.44 1.02 0.15 -4.95 119.74 117.33 3dpg s LYS 242 Ca 0.10 -0.17 -0.01 0.00 0.02 0.00 0.00 55.97 55.92 3dpg s LYS 242 Cb -0.12 -1.90 0.49 0.00 -0.52 0.00 0.00 37.83 35.78 3dpg s LYS 242 CO -0.00 -0.66 1.85 -0.09 -0.92 0.00 0.00 175.35 175.52 3dpg h ARG 243 N 8.38 1.00 -4.85 1.68 2.43 -1.90 -3.34 114.38 117.77 3dpg h ARG 243 Ca -0.15 -0.06 -0.31 0.00 -0.81 0.00 0.00 59.98 58.65 3dpg h ARG 243 Cb 1.14 -0.22 -0.15 0.00 -0.42 0.00 0.00 29.97 30.32 3dpg h ARG 243 CO 0.30 0.66 -0.65 -1.54 -1.51 0.00 0.00 179.97 177.23 3dpg s SER 244 N -5.74 1.28 0.10 -3.80 1.04 -1.26 -0.85 113.70 104.47 3dpg s SER 244 Ca -0.12 -1.22 0.09 0.00 0.48 0.00 0.00 55.95 55.18 3dpg s SER 244 Cb 0.21 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3dpg s SER 244 CO 0.81 -0.59 -0.19 -0.76 0.98 0.00 0.00 173.24 173.48 3dpg s LEU 245 N -3.21 2.62 0.12 2.42 1.43 -0.28 -4.93 118.68 116.85 3dpg s LEU 245 Ca 0.27 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 3dpg s LEU 245 Cb 0.06 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 3dpg s LEU 245 CO 0.06 0.19 -0.12 -0.13 0.23 0.00 0.00 176.35 176.58 3dpg s ARG 246 N -2.00 0.99 0.45 1.70 1.81 -1.26 -4.70 118.95 115.94 3dpg s ARG 246 Ca 0.17 -1.26 0.13 0.00 -1.72 0.00 0.00 55.73 53.05 3dpg s ARG 246 Cb -0.10 -0.76 1.06 0.00 -0.45 0.00 0.00 34.95 34.70 3dpg s ARG 246 CO 0.09 0.13 2.04 0.66 -0.68 0.00 0.00 175.30 177.54 3dpg h SER 247 N 3.38 0.28 1.02 0.23 4.64 -1.96 -0.68 113.55 120.47 3dpg h SER 247 Ca -0.38 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3dpg h SER 247 Cb 1.19 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3dpg h SER 247 CO 0.54 0.19 -0.09 -0.90 -0.87 0.00 0.00 176.83 175.70 3dpg n ASP 248 N -4.48 0.25 -1.87 4.97 5.75 -1.26 -3.91 116.55 116.00 3dpg n ASP 248 Ca 0.05 0.41 -0.08 0.00 -0.01 0.00 0.00 54.79 55.16 3dpg n ASP 248 Cb 0.24 -0.44 0.27 0.00 -1.03 0.00 0.00 41.12 40.16 3dpg n ASP 248 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3dpg n ARG 249 N -1.67 3.22 -0.01 0.11 1.74 -0.26 -4.43 116.66 115.36 3dpg n ARG 249 Ca 0.06 -3.07 0.11 0.00 -0.77 0.00 0.00 57.85 54.18 3dpg n ARG 249 Cb 0.36 -2.14 -0.16 0.00 -1.02 0.00 0.00 32.46 29.50 3dpg n ARG 249 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dpg n LEU 250 N -0.46 0.24 0.12 0.55 4.77 -1.25 -4.74 117.00 116.22 3dpg n LEU 250 Ca 0.42 -0.11 0.12 0.00 -0.03 0.00 0.00 56.01 56.41 3dpg n LEU 250 Cb 1.37 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.51 3dpg n LEU 250 CO 0.42 0.06 0.20 1.88 -1.33 0.00 0.00 177.39 178.61 3dpg h TYR 251 N 0.00 0.00 -0.30 -1.77 0.05 -1.88 -3.32 116.97 109.76 3dpg h TYR 251 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 3dpg h TYR 251 Cb 0.88 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 3dpg h TYR 251 CO 0.00 0.00 0.12 0.37 -1.05 0.00 0.00 178.16 177.60 3dpg h GLN 252 N 0.00 0.45 -0.32 4.88 -0.00 -1.92 0.21 115.11 118.40 3dpg h GLN 252 Ca 0.00 -0.08 -0.14 0.00 -0.00 0.00 0.00 58.65 58.43 3dpg h GLN 252 Cb 0.97 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.36 3dpg h GLN 252 CO 0.00 0.46 -0.36 -1.35 0.00 0.00 0.00 178.83 177.58 3dpg h PRO 253 N 0.34 0.74 -0.19 -2.39 0.11 -1.93 0.46 132.00 129.13 3dpg h PRO 253 Ca 0.10 -0.36 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 3dpg h PRO 253 Cb 0.18 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 3dpg h PRO 253 CO -0.01 0.98 0.10 1.25 -0.21 0.00 0.00 178.00 180.11 3dpg h LEU 254 N 0.62 0.25 -0.12 2.35 5.85 -1.61 0.07 115.31 122.71 3dpg h LEU 254 Ca 0.06 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3dpg h LEU 254 Cb 0.90 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 3dpg h LEU 254 CO 0.08 0.29 0.02 0.22 -0.34 0.00 0.00 178.44 178.70 3dpg h TYR 255 N 0.19 0.22 -0.47 1.25 3.20 -0.49 -2.68 116.97 118.19 3dpg h TYR 255 Ca 0.07 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 3dpg h TYR 255 Cb 0.10 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 3dpg h TYR 255 CO -0.03 0.40 0.13 1.49 -1.64 0.00 0.00 178.16 178.51 3dpg h GLU 256 N -0.03 0.71 -0.58 1.82 4.57 -0.84 -1.98 114.58 118.26 3dpg h GLU 256 Ca 0.04 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 3dpg h GLU 256 Cb 0.30 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 3dpg h GLU 256 CO 0.00 0.63 0.27 0.00 -1.18 0.00 0.00 179.01 178.74 3dpg h ALA 257 N 1.45 0.75 -0.42 2.92 0.00 -0.91 0.65 119.26 123.70 3dpg h ALA 257 Ca 0.16 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3dpg h ALA 257 Cb 0.24 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3dpg h ALA 257 CO -0.00 0.32 0.16 -0.91 0.00 0.00 0.00 179.25 178.82 3dpg h ASN 258 N 0.79 0.19 -0.41 0.00 2.35 -1.08 -0.13 115.58 117.29 3dpg h ASN 258 Ca 0.20 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 3dpg h ASN 258 Cb 0.13 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3dpg h ASN 258 CO -0.02 0.14 0.12 0.58 -1.65 0.00 0.00 177.43 176.59 3dpg h VAL 259 N 0.33 1.22 -0.93 2.81 2.07 -0.98 -0.41 116.25 120.36 3dpg h VAL 259 Ca 0.19 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 67.02 3dpg h VAL 259 Cb 0.17 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 3dpg h VAL 259 CO -0.19 0.26 0.61 0.24 0.02 0.00 0.00 177.57 178.51 3dpg h MET 260 N 0.52 1.07 -0.41 1.57 2.86 -0.63 -0.97 114.93 118.94 3dpg h MET 260 Ca 0.13 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.56 3dpg h MET 260 Cb 0.28 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3dpg h MET 260 CO -0.00 0.71 -0.29 1.96 1.06 0.00 0.00 176.91 180.34 3dpg h GLN 261 N 1.11 0.93 -0.08 1.72 4.20 -0.63 0.82 115.11 123.17 3dpg h GLN 261 Ca 0.39 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3dpg h GLN 261 Cb 0.12 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3dpg h GLN 261 CO -0.14 1.11 0.05 1.25 -0.67 0.00 0.00 178.83 180.43 3dpg h LEU 262 N 0.76 0.09 0.02 1.46 6.46 -0.50 -1.55 115.31 122.06 3dpg h LEU 262 Ca 0.08 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.76 3dpg h LEU 262 Cb 0.88 -0.02 0.01 0.00 -0.73 0.00 0.00 40.66 40.79 3dpg h LEU 262 CO 0.08 0.08 -0.26 -0.07 -0.62 0.00 0.00 178.44 177.66 3dpg h LEU 263 N 0.09 0.19 -0.02 2.25 3.38 -1.17 -1.30 115.31 118.73 3dpg h LEU 263 Ca 0.03 -0.87 -0.02 0.00 0.09 0.00 0.00 57.88 57.10 3dpg h LEU 263 Cb 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3dpg h LEU 263 CO -0.01 1.04 -0.08 -0.07 0.09 0.00 0.00 178.44 179.41 3dpg h LEU 264 N -0.64 0.11 0.01 1.67 3.38 -0.92 -1.17 115.31 117.75 3dpg h LEU 264 Ca -0.04 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.25 3dpg h LEU 264 Cb 1.10 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3dpg h LEU 264 CO 0.05 0.74 -0.14 -0.33 0.09 0.00 0.00 178.44 178.85 3dpg h GLU 265 N -0.52 0.08 -0.00 1.13 5.08 -1.41 0.41 114.58 119.34 3dpg h GLU 265 Ca -0.00 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 3dpg h GLU 265 Cb 0.74 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.02 3dpg h GLU 265 CO 0.02 0.92 -0.29 0.78 -1.00 0.00 0.00 179.01 179.44 3dpg h GLY 266 N -0.72 0.22 0.79 -3.84 0.00 -0.91 -2.84 103.07 95.77 3dpg h GLY 266 Ca -0.02 -0.39 -0.23 0.00 0.00 0.00 0.00 47.33 46.69 3dpg h GLY 266 CO 0.03 0.34 -1.68 0.28 0.00 0.00 0.00 176.54 175.51 3dpg n LYS 267 N -4.47 0.64 -0.01 4.80 4.76 -0.79 -4.45 118.16 118.62 3dpg n LYS 267 Ca -0.10 0.19 0.02 0.00 -2.87 0.00 0.00 58.31 55.56 3dpg n LYS 267 Cb 0.52 -1.75 0.03 0.00 -1.84 0.00 0.00 35.03 31.99 3dpg n LYS 267 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3dpg n LEU 268 N -2.89 1.59 -1.36 -0.35 4.77 -0.51 -5.01 117.00 113.24 3dpg n LEU 268 Ca -0.15 -1.19 -0.14 0.00 -0.03 0.00 0.00 56.01 54.50 3dpg n LEU 268 Cb 0.94 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.99 3dpg n LEU 268 CO 0.44 0.36 -0.16 0.61 -1.33 0.00 0.00 177.39 177.31 3dpg n GLY 269 N 0.20 0.44 3.79 -0.72 0.00 -0.73 -4.86 105.19 103.31 3dpg n GLY 269 Ca 0.03 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 3dpg n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpg s ALA 270 N -2.62 2.52 1.11 4.61 0.00 0.14 -4.94 121.76 122.58 3dpg s ALA 270 Ca 0.00 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 3dpg s ALA 270 Cb 0.00 -3.24 0.25 0.00 0.00 0.00 0.00 23.12 20.13 3dpg s ALA 270 CO 0.00 -1.34 1.06 -2.14 0.00 0.00 0.00 175.76 173.33 3dpg s PRO 271 N -4.69 -0.46 -0.12 0.00 0.02 -1.26 -4.40 135.00 124.08 3dpg s PRO 271 Ca 0.61 0.61 -0.41 0.00 0.02 0.00 0.00 61.00 61.83 3dpg s PRO 271 Cb -0.16 -1.63 -0.19 0.00 0.02 0.00 0.00 34.50 32.54 3dpg s PRO 271 CO 0.50 -3.36 1.26 1.17 -0.33 0.00 0.00 177.00 176.25 3dpg n LYS 272 N -4.63 0.19 -2.77 5.54 4.81 -1.26 -4.75 118.16 115.30 3dpg n LYS 272 Ca 0.04 0.07 -0.42 0.00 -0.87 0.00 0.00 58.31 57.13 3dpg n LYS 272 Cb 0.56 -1.60 -0.03 0.00 0.02 0.00 0.00 35.03 33.98 3dpg n LYS 272 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3dpg s VAL 273 N 0.94 4.80 -0.26 3.15 1.01 -1.26 -5.02 120.40 123.76 3dpg s VAL 273 Ca 0.94 1.86 -0.12 0.00 0.00 0.00 0.00 61.98 64.66 3dpg s VAL 273 Cb -1.28 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 30.82 3dpg s VAL 273 CO 0.62 -0.03 0.25 -1.61 0.00 0.00 0.00 175.10 174.33 3dpg s GLU 274 N 2.34 4.02 -0.05 2.72 0.41 -1.26 -4.93 118.70 121.95 3dpg s GLU 274 Ca 0.43 -0.16 -0.02 0.00 -0.41 0.00 0.00 54.97 54.81 3dpg s GLU 274 Cb -0.17 -3.61 0.03 0.00 -1.78 0.00 0.00 34.13 28.61 3dpg s GLU 274 CO 0.13 -0.12 0.08 0.12 -0.49 0.00 0.00 175.26 174.98 3dpg s PHE 275 N 1.58 -0.01 0.19 1.61 5.99 -1.26 -1.03 117.98 125.06 3dpg s PHE 275 Ca 0.10 0.31 0.07 0.00 0.00 0.00 0.00 56.93 57.41 3dpg s PHE 275 Cb -0.15 -0.35 -0.05 0.00 0.00 0.00 0.00 43.02 42.47 3dpg s PHE 275 CO 0.09 -0.18 -0.13 -1.83 -0.00 0.00 0.00 175.22 173.17 3dpg s GLU 276 N 1.86 1.27 -0.08 10.12 -1.05 -0.32 -0.72 118.70 129.78 3dpg s GLU 276 Ca 0.00 -1.56 0.04 0.00 -0.15 0.00 0.00 54.97 53.30 3dpg s GLU 276 Cb -0.12 -0.98 -0.01 0.00 -0.44 0.00 0.00 34.13 32.58 3dpg s GLU 276 CO -0.04 0.14 -0.21 0.08 0.95 0.00 0.00 175.26 176.19 3dpg s VAL 277 N -3.08 2.41 -0.11 1.83 1.01 -0.73 -1.10 120.40 120.64 3dpg s VAL 277 Ca 0.21 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 3dpg s VAL 277 Cb 0.00 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3dpg s VAL 277 CO 0.05 0.56 -0.06 -1.00 0.00 0.00 0.00 175.10 174.66 3dpg s HIS 278 N -0.02 2.97 0.06 5.22 3.76 0.21 -0.15 115.29 127.34 3dpg s HIS 278 Ca -0.07 -0.14 -0.05 0.00 -0.15 0.00 0.00 55.06 54.66 3dpg s HIS 278 Cb -0.15 -1.82 -0.02 0.00 1.11 0.00 0.00 32.58 31.71 3dpg s HIS 278 CO 0.05 0.16 0.08 -0.08 -0.85 0.00 0.00 174.74 174.10 3dpg s THR 279 N -0.29 0.17 -0.64 1.30 -1.32 -0.47 -0.67 115.64 113.72 3dpg s THR 279 Ca 0.04 -1.39 0.20 0.00 -1.21 0.00 0.00 61.69 59.33 3dpg s THR 279 Cb -0.13 -1.29 -0.26 0.00 -1.51 0.00 0.00 72.50 69.32 3dpg s THR 279 CO 0.02 -0.77 0.72 0.18 -2.21 0.00 0.00 174.62 172.57 3dpg n LEU 280 N 0.22 0.63 -3.15 9.08 4.77 -0.03 -3.93 117.00 124.59 3dpg n LEU 280 Ca -0.16 -0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 55.37 3dpg n LEU 280 Cb 0.61 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3dpg n LEU 280 CO 0.25 0.16 -0.07 0.00 -1.33 0.00 0.00 177.39 176.39 3dpg s ALA 281 N -3.11 -0.77 -0.04 -1.18 0.00 -0.93 -5.00 121.76 110.74 3dpg s ALA 281 Ca 0.02 -1.03 0.31 0.00 0.00 0.00 0.00 51.96 51.27 3dpg s ALA 281 Cb 0.15 -2.25 1.21 0.00 0.00 0.00 0.00 23.12 22.23 3dpg s ALA 281 CO 0.85 -2.14 1.91 -1.00 0.00 0.00 0.00 175.76 175.37 3dpg h PRO 282 N 5.98 0.00 -5.91 0.00 0.13 -1.88 -0.73 132.00 129.59 3dpg h PRO 282 Ca 0.11 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.87 3dpg h PRO 282 Cb 1.05 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.29 3dpg h PRO 282 CO 0.17 0.00 -0.85 0.39 -0.23 0.00 0.00 178.00 177.47 3dpg n GLU 283 N -2.96 -3.76 0.00 0.86 -0.58 -1.26 -4.63 120.64 108.31 3dpg n GLU 283 Ca 0.01 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.43 3dpg n GLU 283 Cb 0.32 -5.20 0.00 0.00 -0.57 0.00 0.00 31.44 25.99 3dpg n GLU 283 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dpg n GLY 284 N -1.46 -0.36 0.12 0.62 0.00 -1.26 -4.80 105.19 98.05 3dpg n GLY 284 Ca -0.20 -2.26 0.08 0.00 0.00 0.00 0.00 46.02 43.64 3dpg n GLY 284 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dpg n THR 285 N -0.26 0.00 -0.29 2.61 -2.24 -1.26 -4.54 114.28 108.30 3dpg n THR 285 Ca 0.00 -0.17 0.05 0.00 -2.27 0.00 0.00 64.05 61.66 3dpg n THR 285 Cb 0.00 1.06 0.20 0.00 -2.10 0.00 0.00 70.33 69.49 3dpg n THR 285 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3dpg h ASN 286 N 0.56 0.58 -0.23 3.42 7.08 -1.90 -1.87 115.58 123.22 3dpg h ASN 286 Ca 0.00 0.07 -0.09 0.00 -3.08 0.00 0.00 56.30 53.21 3dpg h ASN 286 Cb 0.45 -0.03 -0.02 0.00 -2.08 0.00 0.00 38.32 36.64 3dpg h ASN 286 CO 0.00 0.28 -0.14 0.00 -2.08 0.00 0.00 177.43 175.49 3dpg h ALA 287 N 1.52 1.07 -0.61 4.14 0.00 -1.85 0.56 119.26 124.10 3dpg h ALA 287 Ca 0.44 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3dpg h ALA 287 Cb 0.54 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3dpg h ALA 287 CO -0.32 0.57 0.25 0.74 0.00 0.00 0.00 179.25 180.49 3dpg h PHE 288 N 0.59 0.92 -0.18 0.00 0.04 -1.65 -0.36 116.94 116.30 3dpg h PHE 288 Ca 0.10 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3dpg h PHE 288 Cb 0.58 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 3dpg h PHE 288 CO 0.03 0.73 0.08 0.28 -0.60 0.00 0.00 178.31 178.82 3dpg h VAL 289 N 0.84 1.15 -0.76 -0.55 2.07 -1.00 -2.83 116.25 115.17 3dpg h VAL 289 Ca 0.20 -0.44 0.13 0.00 0.82 0.00 0.00 66.70 67.41 3dpg h VAL 289 Cb 0.19 1.12 -0.09 0.00 -1.52 0.00 0.00 31.29 30.99 3dpg h VAL 289 CO -0.02 0.14 0.33 0.74 0.02 0.00 0.00 177.57 178.79 3dpg h THR 290 N 0.14 0.71 -0.10 2.57 2.02 -0.55 -1.49 112.91 116.21 3dpg h THR 290 Ca 0.06 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3dpg h THR 290 Cb 0.16 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3dpg h THR 290 CO -0.01 0.09 0.00 -1.22 0.37 0.00 0.00 175.52 174.76 3dpg n TYR 291 N -4.95 0.13 1.72 3.16 4.01 -0.18 -2.95 117.16 118.09 3dpg n TYR 291 Ca 0.14 -0.06 0.14 0.00 -0.16 0.00 0.00 57.90 57.96 3dpg n TYR 291 Cb 0.39 0.00 0.69 0.00 -0.31 0.00 0.00 39.34 40.11 3dpg n TYR 291 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3dpg n GLU 292 N -0.25 1.36 -1.89 -0.72 1.02 -0.56 -4.47 120.64 115.14 3dpg n GLU 292 Ca 0.09 -0.52 -0.41 0.00 -0.02 0.00 0.00 57.16 56.30 3dpg n GLU 292 Cb 0.14 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 3dpg n GLU 292 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dpg s ALA 293 N -1.99 3.71 0.54 0.62 0.00 -1.15 -4.88 121.76 118.61 3dpg s ALA 293 Ca 0.41 1.46 -0.21 0.00 0.00 0.00 0.00 51.96 53.61 3dpg s ALA 293 Cb 0.21 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 3dpg s ALA 293 CO 0.34 -0.86 1.30 0.00 0.00 0.00 0.00 175.76 176.54 3dpg s ALA 294 N 0.15 2.80 0.07 0.00 0.00 -1.26 -2.07 121.76 121.45 3dpg s ALA 294 Ca 0.63 1.22 -0.34 0.00 0.00 0.00 0.00 51.96 53.47 3dpg s ALA 294 Cb -0.45 -3.52 -0.13 0.00 0.00 0.00 0.00 23.12 19.02 3dpg s ALA 294 CO 0.44 -1.23 1.67 0.45 0.00 0.00 0.00 175.76 177.09 3dpg n SER 295 N -1.02 3.15 -0.04 0.00 2.88 0.08 -4.49 113.62 114.19 3dpg n SER 295 Ca 0.10 1.05 -0.11 0.00 -1.33 0.00 0.00 58.87 58.58 3dpg n SER 295 Cb 0.46 -1.40 -0.05 0.00 -0.75 0.00 0.00 64.21 62.47 3dpg n SER 295 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3dpg h LEU 296 N 6.96 0.20 -0.34 2.46 3.38 -1.92 -0.15 115.31 125.90 3dpg h LEU 296 Ca -0.46 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.39 3dpg h LEU 296 Cb 1.26 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 3dpg h LEU 296 CO 0.90 0.32 0.09 0.22 0.09 0.00 0.00 178.44 180.06 3dpg h TYR 297 N 0.08 0.15 -0.70 1.13 3.20 -1.90 0.13 116.97 119.05 3dpg h TYR 297 Ca 0.05 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.02 3dpg h TYR 297 Cb 0.18 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.36 3dpg h TYR 297 CO -0.01 0.05 0.37 0.78 -1.64 0.00 0.00 178.16 177.70 3dpg h GLY 298 N 0.22 1.05 1.09 1.82 0.00 -1.85 0.26 103.07 105.66 3dpg h GLY 298 Ca 0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 3dpg h GLY 298 CO -0.19 0.10 0.04 1.41 0.00 0.00 0.00 176.54 177.90 3dpg h LEU 299 N 0.65 1.06 -0.61 3.11 3.38 -0.56 -1.39 115.31 120.95 3dpg h LEU 299 Ca 0.33 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3dpg h LEU 299 Cb 0.30 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3dpg h LEU 299 CO -0.23 1.09 0.37 0.00 0.09 0.00 0.00 178.44 179.76 3dpg h ALA 300 N 1.02 0.78 -0.01 1.53 0.00 0.18 -2.84 119.26 119.93 3dpg h ALA 300 Ca 0.18 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.86 3dpg h ALA 300 Cb 0.52 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dpg h ALA 300 CO 0.03 0.11 -0.91 0.93 0.00 0.00 0.00 179.25 179.41 3dpg h GLU 301 N 0.74 0.36 -4.25 0.00 4.39 -0.50 -3.48 114.58 111.83 3dpg h GLU 301 Ca 0.24 -0.38 -0.34 0.00 0.34 0.00 0.00 59.36 59.23 3dpg h GLU 301 Cb 0.02 0.11 0.08 0.00 -0.10 0.00 0.00 28.75 28.85 3dpg h GLU 301 CO -0.10 1.06 -0.53 0.41 -1.16 0.00 0.00 179.01 178.69 3dpg n GLY 302 N 0.90 -0.31 3.59 -3.84 0.00 -0.54 -5.01 105.19 99.98 3dpg n GLY 302 Ca -0.06 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3dpg n GLY 302 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dpg s ARG 303 N -5.72 -1.47 0.39 1.61 0.52 -1.26 -4.93 118.95 108.09 3dpg s ARG 303 Ca 0.34 -0.17 0.07 0.00 -0.52 0.00 0.00 55.73 55.44 3dpg s ARG 303 Cb -0.15 -1.58 0.78 0.00 0.52 0.00 0.00 34.95 34.52 3dpg s ARG 303 CO 0.42 -3.86 1.99 0.66 0.02 0.00 0.00 175.30 174.53 3dpg h SER 304 N -2.68 0.45 -3.10 0.23 4.64 -1.97 -3.40 113.55 107.71 3dpg h SER 304 Ca -0.43 -0.04 -0.64 0.00 -0.47 0.00 0.00 61.79 60.21 3dpg h SER 304 Cb 1.28 -0.11 -0.35 0.00 -0.31 0.00 0.00 62.40 62.91 3dpg h SER 304 CO 0.30 0.41 -0.85 0.00 -0.87 0.00 0.00 176.83 175.82 3dpg s ALA 305 N -5.26 2.11 -0.17 5.18 0.00 -1.26 -5.11 121.76 117.25 3dpg s ALA 305 Ca -0.08 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.76 3dpg s ALA 305 Cb 0.17 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 3dpg s ALA 305 CO 0.74 -0.32 0.03 0.08 0.00 0.00 0.00 175.76 176.29 3dpg s VAL 306 N 1.31 4.50 0.41 0.00 1.01 -1.26 -5.04 120.40 121.33 3dpg s VAL 306 Ca 0.03 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.95 3dpg s VAL 306 Cb -0.13 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 3dpg s VAL 306 CO -0.11 0.48 0.19 -1.00 0.00 0.00 0.00 175.10 174.66 3dpg s HIS 307 N 0.29 2.62 0.61 5.22 3.76 -1.26 -4.98 115.29 121.54 3dpg s HIS 307 Ca 0.01 -0.57 -0.16 0.00 -0.15 0.00 0.00 55.06 54.20 3dpg s HIS 307 Cb -0.13 -1.95 -0.03 0.00 1.11 0.00 0.00 32.58 31.59 3dpg s HIS 307 CO 0.01 0.18 1.09 1.03 -0.85 0.00 0.00 174.74 176.20 3dpg s ARG 308 N -3.91 3.13 0.04 1.40 0.52 -1.26 -0.74 118.95 118.13 3dpg s ARG 308 Ca 0.41 1.34 -0.20 0.00 -0.52 0.00 0.00 55.73 56.77 3dpg s ARG 308 Cb 0.03 -2.00 -0.14 0.00 0.52 0.00 0.00 34.95 33.36 3dpg s ARG 308 CO 0.23 -0.98 1.35 0.00 0.02 0.00 0.00 175.30 175.91 3dpg h ALA 309 N 0.42 0.22 -3.00 2.13 0.00 -1.64 -3.41 119.26 113.99 3dpg h ALA 309 Ca -0.47 -0.33 -0.65 0.00 0.00 0.00 0.00 54.91 53.46 3dpg h ALA 309 Cb 1.24 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 18.75 3dpg h ALA 309 CO 0.56 0.11 -0.65 0.42 0.00 0.00 0.00 179.25 179.70 3dpg s ILE 310 N -4.30 4.11 0.27 0.00 -1.09 -1.26 -4.46 121.20 114.47 3dpg s ILE 310 Ca -0.14 -0.25 0.05 0.00 -2.23 0.00 0.00 60.65 58.08 3dpg s ILE 310 Cb 0.05 -2.90 0.02 0.00 -1.58 0.00 0.00 42.46 38.05 3dpg s ILE 310 CO 0.76 0.37 1.66 0.08 -1.23 0.00 0.00 174.94 176.58 3dpg h ARG 311 N 8.03 0.29 -1.63 2.79 0.11 -1.19 -3.45 114.38 119.34 3dpg h ARG 311 Ca -0.38 -0.15 0.06 0.00 0.10 0.00 0.00 59.98 59.61 3dpg h ARG 311 Cb 1.17 0.00 -0.23 0.00 1.11 0.00 0.00 29.97 32.03 3dpg h ARG 311 CO 0.59 0.68 0.49 -2.00 0.10 0.00 0.00 179.97 179.83 3dpg s GLU 312 N -4.09 0.65 -0.36 0.08 2.12 -1.26 -5.07 118.70 110.78 3dpg s GLU 312 Ca -0.05 0.20 -0.10 0.00 0.36 0.00 0.00 54.97 55.38 3dpg s GLU 312 Cb 0.13 0.31 0.03 0.00 0.26 0.00 0.00 34.13 34.85 3dpg s GLU 312 CO 0.78 -0.20 0.19 -1.17 -0.54 0.00 0.00 175.26 174.33 3dpg s LEU 313 N -1.02 4.60 -0.17 2.70 2.96 -1.26 -1.77 118.68 124.72 3dpg s LEU 313 Ca -0.03 -0.96 -0.06 0.00 -0.22 0.00 0.00 54.13 52.86 3dpg s LEU 313 Cb -0.01 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 3dpg s LEU 313 CO 0.02 -0.36 0.02 -0.47 -1.32 0.00 0.00 176.35 174.24 3dpg s TYR 314 N 1.54 3.15 -0.48 5.38 5.04 0.79 -5.00 117.35 127.77 3dpg s TYR 314 Ca 0.02 -0.11 -0.03 0.00 -2.44 0.00 0.00 57.07 54.51 3dpg s TYR 314 Cb -0.19 -2.03 0.13 0.00 0.35 0.00 0.00 41.96 40.21 3dpg s TYR 314 CO 0.06 0.05 0.28 0.08 -1.34 0.00 0.00 175.55 174.68 3dpg s VAL 315 N 0.42 3.46 -0.03 3.14 1.01 -1.26 -1.37 120.40 125.78 3dpg s VAL 315 Ca 0.00 -2.32 -0.30 0.00 0.00 0.00 0.00 61.98 59.36 3dpg s VAL 315 Cb -0.13 -3.33 -0.06 0.00 0.00 0.00 0.00 36.38 32.86 3dpg s VAL 315 CO 0.01 -0.75 1.55 -2.16 0.00 0.00 0.00 175.10 173.75 3dpg s PRO 316 N 0.79 4.21 0.15 2.72 0.04 -1.25 -4.89 135.00 136.77 3dpg s PRO 316 Ca 0.11 2.11 -0.04 0.00 0.04 0.00 0.00 61.00 63.21 3dpg s PRO 316 Cb -0.22 -3.80 -0.02 0.00 0.04 0.00 0.00 34.50 30.50 3dpg s PRO 316 CO -0.04 -0.75 1.37 -1.00 0.04 0.00 0.00 177.00 176.63 3dpg h PRO 317 N 8.77 0.48 -3.67 0.56 0.13 -1.96 -3.41 132.00 132.90 3dpg h PRO 317 Ca -0.38 -0.43 -0.08 0.00 -0.87 0.00 0.00 66.00 64.24 3dpg h PRO 317 Cb 1.17 0.10 -0.14 0.00 0.13 0.00 0.00 31.00 32.26 3dpg h PRO 317 CO 0.94 1.06 -0.32 0.95 -0.23 0.00 0.00 178.00 180.41 3dpg s THR 318 N -3.55 0.12 0.35 1.56 -4.23 -1.26 -0.46 115.64 108.18 3dpg s THR 318 Ca -0.07 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.47 3dpg s THR 318 Cb 0.10 -1.23 0.22 0.00 1.34 0.00 0.00 72.50 72.92 3dpg s THR 318 CO 0.86 -0.56 1.96 0.00 -0.54 0.00 0.00 174.62 176.34 3dpg h ALA 319 N 2.81 1.49 -0.82 3.99 0.00 -1.76 -2.10 119.26 122.86 3dpg h ALA 319 Ca -0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3dpg h ALA 319 Cb 1.21 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3dpg h ALA 319 CO 0.53 0.40 0.42 0.00 0.00 0.00 0.00 179.25 180.61 3dpg h ALA 320 N 1.58 1.06 -0.55 0.00 0.00 -1.78 -0.82 119.26 118.74 3dpg h ALA 320 Ca 0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3dpg h ALA 320 Cb 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3dpg h ALA 320 CO -0.02 0.60 0.18 0.22 0.00 0.00 0.00 179.25 180.22 3dpg h ASP 321 N 1.16 0.80 -0.47 0.00 3.58 -1.70 0.54 116.42 120.33 3dpg h ASP 321 Ca 0.29 -0.20 0.06 0.00 0.42 0.00 0.00 57.03 57.59 3dpg h ASP 321 Cb 0.08 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 40.86 3dpg h ASP 321 CO -0.04 0.79 0.17 0.25 -2.88 0.00 0.00 179.24 177.52 3dpg h LEU 322 N 0.76 0.17 -0.08 2.28 5.85 -0.92 0.14 115.31 123.51 3dpg h LEU 322 Ca 0.18 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3dpg h LEU 322 Cb 0.27 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3dpg h LEU 322 CO -0.01 0.13 0.04 0.00 -0.34 0.00 0.00 178.44 178.26 3dpg h ALA 323 N 1.31 0.11 -0.26 1.25 0.00 -0.90 -2.16 119.26 118.60 3dpg h ALA 323 Ca 0.22 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3dpg h ALA 323 Cb 0.22 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3dpg h ALA 323 CO -0.23 -0.33 -0.04 -0.09 0.00 0.00 0.00 179.25 178.56 3dpg h ARG 324 N 0.01 0.03 -0.87 0.00 2.43 -0.37 -0.87 114.38 114.74 3dpg h ARG 324 Ca 0.03 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3dpg h ARG 324 Cb 0.12 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 3dpg h ARG 324 CO -0.00 0.02 0.57 -0.09 -1.51 0.00 0.00 179.97 178.96 3dpg h ARG 325 N 0.03 1.12 -0.31 0.20 2.43 -0.68 -1.10 114.38 116.07 3dpg h ARG 325 Ca 0.13 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 3dpg h ARG 325 Cb 0.18 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3dpg h ARG 325 CO -0.25 0.74 -0.17 0.35 -1.51 0.00 0.00 179.97 179.13 3dpg h PHE 326 N 1.15 0.77 -0.44 2.20 3.57 -0.81 -0.18 116.94 123.20 3dpg h PHE 326 Ca 0.33 -0.20 0.05 0.00 3.53 0.00 0.00 57.97 61.68 3dpg h PHE 326 Cb -0.09 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.43 3dpg h PHE 326 CO -0.01 0.90 0.18 0.74 -2.23 0.00 0.00 178.31 177.88 3dpg h PHE 327 N 0.43 0.31 -0.47 0.41 0.04 -0.92 -0.57 116.94 116.17 3dpg h PHE 327 Ca 0.07 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 3dpg h PHE 327 Cb 0.71 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.76 3dpg h PHE 327 CO 0.06 0.13 0.12 0.00 -0.60 0.00 0.00 178.31 178.02 3dpg h ALA 328 N 1.28 1.33 -0.47 2.45 0.00 -0.96 -0.38 119.26 122.50 3dpg h ALA 328 Ca 0.20 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3dpg h ALA 328 Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3dpg h ALA 328 CO -0.19 0.48 0.03 0.35 0.00 0.00 0.00 179.25 179.92 3dpg h PHE 329 N 0.68 0.88 -0.58 0.00 3.57 -0.36 -2.88 116.94 118.25 3dpg h PHE 329 Ca 0.16 -0.14 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 3dpg h PHE 329 Cb 0.25 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3dpg h PHE 329 CO 0.01 0.83 0.01 -0.07 -2.23 0.00 0.00 178.31 176.86 3dpg h LEU 330 N 0.67 0.97 -1.82 0.59 3.38 -0.64 0.53 115.31 118.99 3dpg h LEU 330 Ca 0.14 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.93 3dpg h LEU 330 Cb 0.46 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3dpg h LEU 330 CO 0.02 1.02 0.28 -1.13 0.09 0.00 0.00 178.44 178.71 3dpg h ASN 331 N 0.92 0.19 0.00 -0.43 -1.24 -0.94 -0.96 115.58 113.11 3dpg h ASN 331 Ca 0.17 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 57.03 3dpg h ASN 331 Cb 0.52 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 3dpg h ASN 331 CO 0.03 0.12 -1.00 -0.33 -1.29 0.00 0.00 177.43 174.95 3dpg h GLU 332 N 0.21 0.00 -0.85 6.67 5.08 -1.25 -3.40 114.58 121.04 3dpg h GLU 332 Ca 0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3dpg h GLU 332 Cb 0.46 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 3dpg h GLU 332 CO -0.03 0.67 0.48 -0.09 -1.00 0.00 0.00 179.01 179.04 3dpg h ARG 333 N -1.00 1.18 0.00 2.33 9.65 -0.83 -2.80 114.38 122.90 3dpg h ARG 333 Ca -0.23 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.52 3dpg h ARG 333 Cb 1.03 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.38 3dpg h ARG 333 CO -0.14 0.85 0.00 -1.33 2.80 0.00 0.00 179.97 182.15 3dpg n MET 334 N -4.35 0.00 0.31 0.20 2.81 -0.37 -1.63 117.12 114.09 3dpg n MET 334 Ca 0.09 0.12 0.17 0.00 -1.81 0.00 0.00 57.70 56.28 3dpg n MET 334 Cb 0.09 -1.50 1.01 0.00 -0.71 0.00 0.00 33.22 32.10 3dpg n MET 334 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3dpg h GLU 335 N 0.00 0.00 0.00 0.03 4.81 -1.70 -1.14 114.58 116.59 3dpg h GLU 335 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3dpg h GLU 335 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3dpg h GLU 335 CO 0.00 0.01 0.00 1.28 -0.73 0.00 0.00 179.01 179.57 3dpg n LEU 336 N -3.59 0.57 -4.69 1.64 4.77 -0.65 -4.62 117.00 110.43 3dpg n LEU 336 Ca -0.03 0.60 -0.36 0.00 -0.03 0.00 0.00 56.01 56.18 3dpg n LEU 336 Cb 0.09 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 3dpg n LEU 336 CO 0.25 -0.32 -0.10 -0.69 -1.33 0.00 0.00 177.39 175.20 3dpg s VAL 337 N -3.17 5.33 0.17 4.08 1.01 -0.43 -5.06 120.40 122.33 3dpg s VAL 337 Ca 0.08 0.35 -0.31 0.00 0.00 0.00 0.00 61.98 62.09 3dpg s VAL 337 Cb 0.11 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 3dpg s VAL 337 CO 0.47 0.36 1.51 0.20 0.00 0.00 0.00 175.10 177.63 3dpg s ASN 338 N 0.79 6.65 0.00 3.32 0.02 -1.26 -4.95 114.94 119.51 3dpg s ASN 338 Ca 0.11 2.56 0.00 0.00 -1.02 0.00 0.00 52.86 54.51 3dpg s ASN 338 Cb -0.13 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.54 3dpg s ASN 338 CO 0.04 -0.77 0.43 0.61 0.02 0.00 0.00 177.10 177.43