#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aek n GLU 2 N 0.00 0.20 -4.38 3.17 4.07 -1.26 -4.72 120.64 117.72 2aek n GLU 2 Ca 0.00 0.13 -0.27 0.00 -0.06 0.00 0.00 57.16 56.96 2aek n GLU 2 Cb 0.00 -1.50 -0.12 0.00 -0.06 0.00 0.00 31.44 29.76 2aek n GLU 2 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 2aek s ASN 3 N -2.68 3.17 0.12 4.31 0.01 -1.26 -5.10 114.94 113.51 2aek s ASN 3 Ca 0.15 -0.78 -0.31 0.00 -0.71 0.00 0.00 52.86 51.21 2aek s ASN 3 Cb 0.12 -0.21 -0.08 0.00 0.41 0.00 0.00 41.25 41.49 2aek s ASN 3 CO 0.30 0.12 1.44 0.12 -1.51 0.00 0.00 177.10 177.57 2aek s PHE 4 N -1.35 3.15 0.00 2.20 5.36 -1.26 -4.85 117.98 121.23 2aek s PHE 4 Ca 0.15 0.85 -0.00 0.00 -0.96 0.00 0.00 56.93 56.97 2aek s PHE 4 Cb -0.09 -3.74 -0.01 0.00 -0.34 0.00 0.00 43.02 38.84 2aek s PHE 4 CO 0.07 -2.66 0.36 -2.30 -1.46 0.00 0.00 175.22 169.23 2aek n PRO 5 N 4.12 0.10 -0.23 10.12 -0.02 -1.26 -4.66 135.00 143.17 2aek n PRO 5 Ca 0.12 -0.03 -0.02 0.00 -2.02 0.00 0.00 63.50 61.56 2aek n PRO 5 Cb 0.42 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 2aek n PRO 5 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2aek n THR 6 N 2.31 -0.33 0.44 3.45 -1.04 -1.26 -0.16 114.28 117.68 2aek n THR 6 Ca 0.01 1.38 -0.17 0.00 -2.04 0.00 0.00 64.05 63.23 2aek n THR 6 Cb 0.05 -1.79 -0.08 0.00 -1.82 0.00 0.00 70.33 66.69 2aek n THR 6 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2aek h GLU 7 N 0.00 -1.07 -0.78 -2.82 4.81 -2.00 -1.22 114.58 111.49 2aek h GLU 7 Ca 0.18 0.07 0.18 0.00 -0.13 0.00 0.00 59.36 59.66 2aek h GLU 7 Cb 0.32 0.24 -0.13 0.00 0.63 0.00 0.00 28.75 29.81 2aek h GLU 7 CO -0.57 -0.72 0.06 -0.92 -0.73 0.00 0.00 179.01 176.14 2aek h TYR 8 N -1.12 0.05 0.24 0.92 -0.00 -1.45 -0.90 116.97 114.72 2aek h TYR 8 Ca -0.11 0.05 0.00 0.00 -0.00 0.00 0.00 58.73 58.67 2aek h TYR 8 Cb 0.86 0.10 -0.02 0.00 -0.00 0.00 0.00 36.73 37.67 2aek h TYR 8 CO 0.04 -0.23 -0.22 0.35 -0.00 0.00 0.00 178.16 178.10 2aek h PHE 9 N 0.13 -0.58 -0.68 -3.82 3.57 -0.43 -2.59 116.94 112.55 2aek h PHE 9 Ca 0.44 0.00 0.12 0.00 3.53 0.00 0.00 57.97 62.07 2aek h PHE 9 Cb 0.81 0.22 -0.09 0.00 2.79 0.00 0.00 35.95 39.68 2aek h PHE 9 CO -0.38 -0.33 0.23 -0.07 -2.23 0.00 0.00 178.31 175.53 2aek h LEU 10 N -0.49 0.17 0.06 0.59 3.38 0.05 -2.04 115.31 117.04 2aek h LEU 10 Ca -0.01 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2aek h LEU 10 Cb 0.44 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2aek h LEU 10 CO -0.04 0.08 -0.08 -1.13 0.09 0.00 0.00 178.44 177.36 2aek h ASN 11 N 0.38 -0.22 -0.98 -0.43 -1.24 -0.92 -2.29 115.58 109.88 2aek h ASN 11 Ca 0.36 0.02 0.18 0.00 0.71 0.00 0.00 56.30 57.58 2aek h ASN 11 Cb 0.53 0.08 -0.09 0.00 0.73 0.00 0.00 38.32 39.56 2aek h ASN 11 CO -0.39 -0.10 0.61 0.71 -1.29 0.00 0.00 177.43 176.98 2aek h THR 12 N -0.14 0.73 -0.85 -3.57 1.35 -1.39 0.00 112.91 109.03 2aek h THR 12 Ca -0.01 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2aek h THR 12 Cb 0.13 -0.05 -0.04 0.00 -1.73 0.00 0.00 68.15 66.46 2aek h THR 12 CO -0.02 0.13 0.55 0.74 -0.25 0.00 0.00 175.52 176.67 2aek h THR 13 N 0.71 1.23 -0.15 6.82 2.02 -1.25 0.68 112.91 122.97 2aek h THR 13 Ca 0.54 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 67.25 2aek h THR 13 Cb 0.91 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2aek h THR 13 CO -0.32 0.22 -0.07 0.58 0.37 0.00 0.00 175.52 176.30 2aek h VAL 14 N 1.16 1.31 -0.58 3.16 2.07 -0.47 -0.08 116.25 122.83 2aek h VAL 14 Ca 0.31 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.77 2aek h VAL 14 Cb -0.11 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 2aek h VAL 14 CO -0.06 0.32 0.34 0.03 0.02 0.00 0.00 177.57 178.21 2aek h ARG 15 N -0.01 0.63 0.26 1.57 3.08 -0.71 0.17 114.38 119.37 2aek h ARG 15 Ca 0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2aek h ARG 15 Cb 0.53 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2aek h ARG 15 CO 0.02 0.42 -0.14 1.25 -1.07 0.00 0.00 179.97 180.45 2aek h LEU 16 N 0.65 -0.35 -1.70 3.04 5.85 0.51 0.17 115.31 123.49 2aek h LEU 16 Ca 0.24 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 2aek h LEU 16 Cb 0.07 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2aek h LEU 16 CO -0.12 -0.23 0.15 -0.07 -0.34 0.00 0.00 178.44 177.82 2aek h LEU 17 N -0.38 0.31 0.32 2.25 3.38 -0.57 -1.65 115.31 118.96 2aek h LEU 17 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2aek h LEU 17 Cb 0.30 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2aek h LEU 17 CO 0.04 0.24 -0.15 -0.33 0.09 0.00 0.00 178.44 178.34 2aek h GLU 18 N 0.36 -0.41 -0.86 1.13 5.08 -0.30 0.32 114.58 119.90 2aek h GLU 18 Ca 0.09 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.70 2aek h GLU 18 Cb -0.00 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.20 2aek h GLU 18 CO -0.02 -0.10 0.17 1.88 -1.00 0.00 0.00 179.01 179.94 2aek h TYR 19 N -0.98 0.24 0.00 4.33 -1.99 -0.36 0.29 116.97 118.50 2aek h TYR 19 Ca -0.04 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2aek h TYR 19 Cb 0.49 0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.26 2aek h TYR 19 CO 0.04 -0.23 -0.02 0.44 -0.00 0.00 0.00 178.16 178.38 2aek n ILE 20 N -5.27 0.22 -2.43 -2.88 -5.35 -0.65 -4.81 119.36 98.19 2aek n ILE 20 Ca 0.20 -0.11 -0.01 0.00 -0.27 0.00 0.00 62.75 62.56 2aek n ILE 20 Cb 0.64 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 2aek n ILE 20 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2aek n ARG 21 N -1.79 -0.36 -1.64 6.28 1.74 0.10 -4.96 116.66 116.03 2aek n ARG 21 Ca 0.06 0.04 -0.47 0.00 -0.77 0.00 0.00 57.85 56.72 2aek n ARG 21 Cb 0.37 -2.66 -0.04 0.00 -1.02 0.00 0.00 32.46 29.11 2aek n ARG 21 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2aek n TYR 22 N -2.25 2.22 -3.63 -1.55 9.36 0.11 -4.92 117.16 116.50 2aek n TYR 22 Ca -0.00 -0.07 -0.04 0.00 3.32 0.00 0.00 57.90 61.11 2aek n TYR 22 Cb 0.50 -2.69 -0.01 0.00 -0.63 0.00 0.00 39.34 36.52 2aek n TYR 22 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 2aek n ARG 23 N 7.38 0.26 -2.37 2.98 1.85 -1.26 -4.94 116.66 120.56 2aek n ARG 23 Ca 0.26 -0.87 -0.34 0.00 -1.00 0.00 0.00 57.85 55.90 2aek n ARG 23 Cb 0.33 0.88 -0.02 0.00 -1.05 0.00 0.00 32.46 32.61 2aek n ARG 23 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2aek s ASP 24 N -1.70 6.06 0.30 2.89 1.11 -1.26 -5.07 116.67 119.00 2aek s ASP 24 Ca 0.09 1.97 0.10 0.00 0.18 0.00 0.00 52.55 54.89 2aek s ASP 24 Cb -0.01 -2.56 -0.06 0.00 1.07 0.00 0.00 42.92 41.37 2aek s ASP 24 CO 0.06 -0.98 -0.13 -0.94 1.18 0.00 0.00 175.17 174.36 2aek s SER 25 N -2.08 3.42 -0.14 0.27 1.04 -1.26 -5.00 113.70 109.94 2aek s SER 25 Ca 0.68 -1.13 0.04 0.00 0.48 0.00 0.00 55.95 56.02 2aek s SER 25 Cb -0.18 -0.28 0.30 0.00 0.10 0.00 0.00 66.02 65.96 2aek s SER 25 CO 0.25 -0.14 1.20 -0.46 0.98 0.00 0.00 173.24 175.07 2aek n ASN 26 N -0.66 3.14 -4.29 7.02 0.23 -1.26 -4.57 115.26 114.87 2aek n ASN 26 Ca -0.05 -2.53 -0.44 0.00 -0.53 0.00 0.00 54.58 51.03 2aek n ASN 26 Cb 0.62 -0.61 -0.02 0.00 -2.08 0.00 0.00 39.78 37.69 2aek n ASN 26 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2aek s TYR 27 N -1.52 3.99 0.97 -2.53 5.04 -1.26 -5.06 117.35 116.98 2aek s TYR 27 Ca 0.23 -2.49 -0.11 0.00 -2.44 0.00 0.00 57.07 52.26 2aek s TYR 27 Cb 0.18 -3.71 0.18 0.00 0.35 0.00 0.00 41.96 38.96 2aek s TYR 27 CO 0.05 -0.93 1.10 0.95 -1.34 0.00 0.00 175.55 175.38 2aek s THR 28 N -0.69 2.24 0.29 4.34 -4.23 -1.26 -4.77 115.64 111.56 2aek s THR 28 Ca 0.25 0.08 0.02 0.00 -1.18 0.00 0.00 61.69 60.86 2aek s THR 28 Cb -0.10 -2.21 0.10 0.00 1.34 0.00 0.00 72.50 71.62 2aek s THR 28 CO -0.09 -0.10 1.76 0.03 -0.54 0.00 0.00 174.62 175.68 2aek h ARG 29 N -1.99 0.55 0.00 3.99 3.08 -1.90 0.23 114.38 118.35 2aek h ARG 29 Ca -0.49 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.33 2aek h ARG 29 Cb 1.29 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 2aek h ARG 29 CO 0.47 0.69 -0.27 0.93 -1.07 0.00 0.00 179.97 180.71 2aek h GLU 30 N 0.51 0.00 0.05 0.04 3.07 -1.96 0.94 114.58 117.22 2aek h GLU 30 Ca 0.09 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.81 2aek h GLU 30 Cb 0.55 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.47 2aek h GLU 30 CO 0.04 0.27 -0.57 0.93 -1.40 0.00 0.00 179.01 178.27 2aek h GLU 31 N 0.00 0.31 -0.36 2.33 5.08 -1.73 -2.29 114.58 117.91 2aek h GLU 31 Ca -0.00 -0.39 0.05 0.00 -1.00 0.00 0.00 59.36 58.02 2aek h GLU 31 Cb 0.52 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 2aek h GLU 31 CO 0.04 1.11 0.09 0.00 -1.00 0.00 0.00 179.01 179.25 2aek h ARG 32 N -0.32 0.22 -0.53 2.33 3.08 -0.42 -1.61 114.38 117.13 2aek h ARG 32 Ca -0.09 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 2aek h ARG 32 Cb 1.35 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 2aek h ARG 32 CO 0.11 0.14 0.03 0.82 -1.07 0.00 0.00 179.97 180.01 2aek h ILE 33 N 0.22 1.25 -0.22 2.04 2.04 -0.91 0.91 117.51 122.84 2aek h ILE 33 Ca 0.17 -1.00 0.06 0.00 1.00 0.00 0.00 64.86 65.09 2aek h ILE 33 Cb 0.18 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 2aek h ILE 33 CO -0.21 0.36 -0.24 -0.33 0.00 0.00 0.00 178.15 177.73 2aek h GLU 34 N 0.81 -0.25 0.04 2.37 5.08 -0.71 -2.22 114.58 119.69 2aek h GLU 34 Ca 0.16 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2aek h GLU 34 Cb 0.44 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2aek h GLU 34 CO 0.02 -0.17 -0.02 -0.91 -1.00 0.00 0.00 179.01 176.93 2aek h ASN 35 N -0.26 -0.04 -0.77 1.42 2.35 -1.07 -2.58 115.58 114.63 2aek h ASN 35 Ca 0.13 -0.38 0.13 0.00 -0.55 0.00 0.00 56.30 55.62 2aek h ASN 35 Cb 0.46 0.01 -0.13 0.00 0.05 0.00 0.00 38.32 38.70 2aek h ASN 35 CO -0.37 0.37 -0.36 -0.07 -1.65 0.00 0.00 177.43 175.34 2aek h LEU 36 N -0.46 -1.30 -0.79 1.61 3.38 -0.69 0.13 115.31 117.19 2aek h LEU 36 Ca -0.01 0.27 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 2aek h LEU 36 Cb 0.42 0.66 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 2aek h LEU 36 CO 0.01 -0.30 0.25 -0.74 0.09 0.00 0.00 178.44 177.75 2aek h HIS 37 N -0.09 1.19 0.34 1.13 2.76 -1.43 -0.02 115.15 119.03 2aek h HIS 37 Ca 0.28 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2aek h HIS 37 Cb 0.57 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.19 2aek h HIS 37 CO -0.75 0.93 -0.16 -0.92 -1.30 0.00 0.00 177.93 175.73 2aek h TYR 38 N 1.11 -0.42 0.74 5.26 3.20 -0.49 0.82 116.97 127.20 2aek h TYR 38 Ca 0.24 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 2aek h TYR 38 Cb 0.29 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2aek h TYR 38 CO 0.02 -0.24 -0.45 0.00 -1.64 0.00 0.00 178.16 175.85 2aek h ALA 39 N 0.18 -1.25 -0.75 1.82 0.00 -0.78 -2.29 119.26 116.20 2aek h ALA 39 Ca -0.05 -0.23 0.17 0.00 0.00 0.00 0.00 54.91 54.80 2aek h ALA 39 Cb 0.36 0.56 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 2aek h ALA 39 CO 0.08 -1.21 0.13 -0.92 0.00 0.00 0.00 179.25 177.33 2aek h TYR 40 N -1.12 0.18 -0.68 0.00 3.20 -0.98 -1.09 116.97 116.48 2aek h TYR 40 Ca -0.10 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.83 2aek h TYR 40 Cb 0.89 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 2aek h TYR 40 CO -0.08 -0.15 0.45 -0.97 -1.64 0.00 0.00 178.16 175.77 2aek h ASN 41 N 0.21 0.78 -0.10 -2.11 -1.24 -0.63 0.28 115.58 112.77 2aek h ASN 41 Ca 0.43 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.40 2aek h ASN 41 Cb 0.75 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.61 2aek h ASN 41 CO -0.57 0.56 -0.03 0.50 -1.29 0.00 0.00 177.43 176.61 2aek h LYS 42 N 0.92 0.19 0.16 6.67 3.64 -0.67 -2.50 116.57 124.97 2aek h LYS 42 Ca 0.25 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2aek h LYS 42 Cb -0.09 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2aek h LYS 42 CO -0.06 0.50 -0.15 0.00 -2.27 0.00 0.00 179.45 177.47 2aek h ALA 43 N 0.68 -0.31 -0.58 5.00 0.00 -1.08 -1.58 119.26 121.39 2aek h ALA 43 Ca 0.02 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.01 2aek h ALA 43 Cb 0.44 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 2aek h ALA 43 CO 0.01 -0.69 -0.06 0.00 0.00 0.00 0.00 179.25 178.50 2aek h ALA 44 N 0.47 0.49 -0.17 0.00 0.00 -0.46 0.43 119.26 120.03 2aek h ALA 44 Ca 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2aek h ALA 44 Cb 0.32 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2aek h ALA 44 CO -0.04 -0.41 -0.06 0.45 0.00 0.00 0.00 179.25 179.19 2aek h HIS 45 N 0.06 0.26 0.31 0.00 -0.00 -1.18 -0.35 115.15 114.25 2aek h HIS 45 Ca 0.29 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.63 2aek h HIS 45 Cb 0.46 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.80 2aek h HIS 45 CO -0.41 0.32 -0.15 1.25 -0.00 0.00 0.00 177.93 178.95 2aek h HIS 46 N 0.25 -0.38 0.00 2.45 6.17 0.75 -2.95 115.15 121.43 2aek h HIS 46 Ca 0.05 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.13 2aek h HIS 46 Cb 0.28 0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.33 2aek h HIS 46 CO 0.00 -0.05 0.00 0.74 0.71 0.00 0.00 177.93 179.33 2aek h PHE 47 N -0.76 0.00 -0.00 5.26 0.04 -0.69 -2.50 116.94 118.29 2aek h PHE 47 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2aek h PHE 47 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 2aek h PHE 47 CO 0.02 0.00 -0.14 0.00 -0.60 0.00 0.00 178.31 177.59 2aek n ALA 48 N -1.82 2.70 -1.77 2.45 0.00 -0.16 -4.05 120.51 117.87 2aek n ALA 48 Ca 0.02 -0.19 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 2aek n ALA 48 Cb 0.23 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 2aek n ALA 48 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2aek s GLN 49 N -2.91 4.01 0.19 0.00 -0.21 -0.94 -4.19 119.66 115.61 2aek s GLN 49 Ca 0.16 2.04 -0.14 0.00 0.02 0.00 0.00 55.36 57.44 2aek s GLN 49 Cb 0.19 -2.74 0.20 0.00 1.00 0.00 0.00 33.01 31.66 2aek s GLN 49 CO 0.56 -0.42 1.65 -1.00 -2.12 0.00 0.00 175.29 173.97 2aek h PRO 50 N 2.69 0.03 0.46 2.91 0.13 -1.90 0.24 132.00 136.56 2aek h PRO 50 Ca -0.49 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2aek h PRO 50 Cb 1.24 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2aek h PRO 50 CO 0.63 0.02 -0.40 -0.09 -0.23 0.00 0.00 178.00 177.93 2aek h ARG 51 N 0.03 -0.83 -0.88 0.86 2.43 -1.96 0.33 114.38 114.37 2aek h ARG 51 Ca 0.27 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.62 2aek h ARG 51 Cb 0.41 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 30.07 2aek h ARG 51 CO -0.53 -0.55 0.51 1.96 -1.51 0.00 0.00 179.97 179.85 2aek h GLN 52 N -0.86 0.76 -0.80 0.20 1.08 -1.76 -0.25 115.11 113.48 2aek h GLN 52 Ca -0.05 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2aek h GLN 52 Cb 0.75 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.96 2aek h GLN 52 CO -0.03 0.50 0.53 1.96 -0.95 0.00 0.00 178.83 180.84 2aek h GLN 53 N 0.78 1.05 0.15 1.46 1.08 0.55 -1.63 115.11 118.55 2aek h GLN 53 Ca 0.45 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.58 2aek h GLN 53 Cb 0.52 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2aek h GLN 53 CO -0.30 0.69 -0.07 1.96 -0.95 0.00 0.00 178.83 180.16 2aek h GLN 54 N 1.08 -0.20 -0.11 1.46 4.20 0.13 -3.37 115.11 118.31 2aek h GLN 54 Ca 0.29 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.05 2aek h GLN 54 Cb -0.12 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 2aek h GLN 54 CO -0.07 -0.13 0.09 -0.07 -0.67 0.00 0.00 178.83 177.99 2aek h LEU 55 N -0.57 0.00 -8.10 1.46 3.38 -1.27 -3.38 115.31 106.84 2aek h LEU 55 Ca -0.02 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.26 2aek h LEU 55 Cb 0.16 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.72 2aek h LEU 55 CO 0.03 0.00 0.41 -0.22 0.09 0.00 0.00 178.44 178.75 2aek s LEU 56 N -8.23 5.22 -0.93 1.67 2.96 -0.61 -4.71 118.68 114.05 2aek s LEU 56 Ca -0.05 -1.64 -0.24 0.00 -0.22 0.00 0.00 54.13 51.99 2aek s LEU 56 Cb 0.16 -2.34 0.05 0.00 0.50 0.00 0.00 46.19 44.56 2aek s LEU 56 CO 0.61 -1.12 1.37 -0.54 -1.32 0.00 0.00 176.35 175.35 2aek s LYS 57 N 2.73 3.47 0.01 1.98 -0.14 -1.26 -4.88 119.74 121.65 2aek s LYS 57 Ca 0.20 -0.90 0.00 0.00 -1.36 0.00 0.00 55.97 53.91 2aek s LYS 57 Cb -0.16 -4.98 -0.01 0.00 -1.68 0.00 0.00 37.83 31.00 2aek s LYS 57 CO 0.01 -2.16 -0.03 0.08 -0.76 0.00 0.00 175.35 172.50 2aek s VAL 58 N 5.04 0.13 0.11 3.17 1.01 -1.26 -4.94 120.40 123.66 2aek s VAL 58 Ca 0.42 -0.57 -0.31 0.00 0.00 0.00 0.00 61.98 61.51 2aek s VAL 58 Cb -0.03 -0.21 -0.08 0.00 0.00 0.00 0.00 36.38 36.06 2aek s VAL 58 CO -0.02 -0.28 1.43 -0.62 0.00 0.00 0.00 175.10 175.60 2aek s ASP 59 N -0.90 6.78 0.27 3.32 2.15 -1.26 -4.88 116.67 122.15 2aek s ASP 59 Ca -0.09 2.36 -0.06 0.00 0.43 0.00 0.00 52.55 55.20 2aek s ASP 59 Cb -0.06 -2.59 0.50 0.00 -0.30 0.00 0.00 42.92 40.48 2aek s ASP 59 CO -0.00 -0.69 1.60 -0.65 -0.17 0.00 0.00 175.17 175.25 2aek h PRO 60 N 6.91 0.03 -0.04 4.34 0.11 -1.99 -0.10 132.00 141.27 2aek h PRO 60 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2aek h PRO 60 Cb 1.21 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2aek h PRO 60 CO 0.88 0.02 0.02 0.87 -0.21 0.00 0.00 178.00 179.58 2aek h LYS 61 N 0.04 0.05 -0.50 1.05 1.79 -2.00 -1.58 116.57 115.42 2aek h LYS 61 Ca 0.47 -0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.86 2aek h LYS 61 Cb 0.83 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.45 2aek h LYS 61 CO -0.84 0.04 0.00 0.00 -1.08 0.00 0.00 179.45 177.57 2aek h ARG 62 N 0.05 0.83 -0.70 3.15 3.08 -1.69 0.20 114.38 119.29 2aek h ARG 62 Ca 0.01 -0.23 0.02 0.00 0.07 0.00 0.00 59.98 59.85 2aek h ARG 62 Cb -0.00 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 2aek h ARG 62 CO -0.00 0.83 0.46 1.25 -1.07 0.00 0.00 179.97 181.44 2aek h LEU 63 N 0.77 0.78 -0.25 3.04 5.85 -0.78 0.95 115.31 125.67 2aek h LEU 63 Ca 0.15 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2aek h LEU 63 Cb 0.46 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2aek h LEU 63 CO 0.02 0.55 0.07 -0.61 -0.34 0.00 0.00 178.44 178.14 2aek h GLN 64 N 0.92 0.39 -0.78 1.25 5.75 -0.85 -0.13 115.11 121.65 2aek h GLN 64 Ca 0.27 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 58.64 2aek h GLN 64 Cb -0.06 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 2aek h GLN 64 CO -0.07 0.47 0.33 0.00 -2.65 0.00 0.00 178.83 176.91 2aek h ALA 65 N 0.90 1.09 0.26 3.38 0.00 -0.14 -2.00 119.26 122.76 2aek h ALA 65 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2aek h ALA 65 Cb 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2aek h ALA 65 CO -0.00 0.65 -0.13 0.77 0.00 0.00 0.00 179.25 180.54 2aek h SER 66 N 1.14 -0.30 -0.67 0.00 0.02 0.11 -2.05 113.55 111.81 2aek h SER 66 Ca 0.26 -0.20 0.14 0.00 -0.84 0.00 0.00 61.79 61.16 2aek h SER 66 Cb 0.19 0.08 -0.11 0.00 0.14 0.00 0.00 62.40 62.70 2aek h SER 66 CO -0.02 0.06 0.05 0.25 -1.14 0.00 0.00 176.83 176.03 2aek h LEU 67 N -0.69 -0.20 -0.84 5.07 5.85 -0.94 0.57 115.31 124.13 2aek h LEU 67 Ca -0.04 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2aek h LEU 67 Cb 0.48 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2aek h LEU 67 CO 0.06 -0.10 0.45 1.56 -0.34 0.00 0.00 178.44 180.07 2aek h GLN 68 N 0.16 1.18 -0.15 1.25 4.20 -1.32 0.22 115.11 120.64 2aek h GLN 68 Ca 0.36 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.80 2aek h GLN 68 Cb 0.60 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2aek h GLN 68 CO -0.54 0.88 -0.44 1.15 -0.67 0.00 0.00 178.83 179.21 2aek h THR 69 N 1.18 1.32 -0.01 -0.54 2.02 -0.34 -2.60 112.91 113.93 2aek h THR 69 Ca 0.30 -1.62 -0.12 0.00 0.77 0.00 0.00 66.41 65.74 2aek h THR 69 Cb 0.04 1.69 0.01 0.00 -1.74 0.00 0.00 68.15 68.15 2aek h THR 69 CO -0.05 0.49 -0.47 0.40 0.37 0.00 0.00 175.52 176.27 2aek h ILE 70 N 0.30 1.46 -0.50 3.11 1.08 -0.35 -1.40 117.51 121.21 2aek h ILE 70 Ca 0.02 -2.00 0.08 0.00 -0.39 0.00 0.00 64.86 62.58 2aek h ILE 70 Cb 0.90 2.60 -0.07 0.00 -3.07 0.00 0.00 36.82 37.19 2aek h ILE 70 CO 0.08 0.57 0.12 0.58 -0.69 0.00 0.00 178.15 178.81 2aek h VAL 71 N -0.21 0.75 -0.02 1.67 2.07 -0.62 0.30 116.25 120.18 2aek h VAL 71 Ca -0.05 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.40 2aek h VAL 71 Cb 1.18 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2aek h VAL 71 CO 0.09 0.05 -0.14 1.23 0.02 0.00 0.00 177.57 178.82 2aek h GLY 72 N 0.26 -0.16 0.25 2.17 0.00 -1.44 0.01 103.07 104.17 2aek h GLY 72 Ca 0.25 0.17 0.10 0.00 0.00 0.00 0.00 47.33 47.84 2aek h GLY 72 CO -0.31 -0.14 0.09 1.98 0.00 0.00 0.00 176.54 178.16 2aek h MET 73 N -0.22 0.21 0.05 4.80 -1.53 -0.16 -1.74 114.93 116.33 2aek h MET 73 Ca 0.06 -0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.30 2aek h MET 73 Cb 0.30 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.30 2aek h MET 73 CO -0.16 0.14 -0.02 0.28 0.14 0.00 0.00 176.91 177.29 2aek h VAL 74 N 0.22 1.20 -0.55 -5.77 2.07 -0.51 -2.26 116.25 110.65 2aek h VAL 74 Ca 0.27 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 2aek h VAL 74 Cb 0.39 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2aek h VAL 74 CO -0.37 0.20 0.13 0.58 0.02 0.00 0.00 177.57 178.13 2aek h VAL 75 N -0.42 1.23 0.00 2.57 2.07 -0.92 0.18 116.25 120.95 2aek h VAL 75 Ca -0.01 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.62 2aek h VAL 75 Cb 0.38 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2aek h VAL 75 CO 0.01 0.30 -0.40 1.88 0.02 0.00 0.00 177.57 179.38 2aek h TYR 76 N 0.81 0.00 0.00 1.57 -1.99 -1.37 -3.36 116.97 112.63 2aek h TYR 76 Ca 0.18 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.60 2aek h TYR 76 Cb 0.29 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.96 2aek h TYR 76 CO 0.02 0.40 -2.17 0.43 -0.00 0.00 0.00 178.16 176.84 2aek n SER 77 N -3.25 1.46 -2.13 3.88 7.64 -0.85 -4.02 113.62 116.34 2aek n SER 77 Ca 0.02 -0.04 -0.25 0.00 1.01 0.00 0.00 58.87 59.61 2aek n SER 77 Cb 0.65 0.42 0.04 0.00 -1.01 0.00 0.00 64.21 64.32 2aek n SER 77 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2aek n TRP 78 N -2.81 2.17 -0.31 1.43 8.01 0.60 -3.49 117.44 123.04 2aek n TRP 78 Ca -0.31 -2.34 0.30 0.00 -1.31 0.00 0.00 57.50 53.84 2aek n TRP 78 Cb 0.99 -1.17 0.55 0.00 -2.01 0.00 0.00 31.31 29.66 2aek n TRP 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2aek n ALA 79 N -0.06 0.96 1.47 6.99 0.00 -1.26 -1.35 120.51 127.25 2aek n ALA 79 Ca 0.44 0.98 0.14 0.00 0.00 0.00 0.00 53.44 54.99 2aek n ALA 79 Cb 0.59 -0.96 0.51 0.00 0.00 0.00 0.00 19.45 19.59 2aek n ALA 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2aek n LYS 80 N -5.17 1.51 -2.42 0.00 4.76 -1.26 -4.93 118.16 110.65 2aek n LYS 80 Ca 0.36 -0.87 -0.24 0.00 -2.87 0.00 0.00 58.31 54.69 2aek n LYS 80 Cb 1.21 -1.48 0.06 0.00 -1.84 0.00 0.00 35.03 32.97 2aek n LYS 80 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2aek s VAL 81 N -2.09 2.42 0.94 -0.18 -7.23 -0.46 -5.07 120.40 108.74 2aek s VAL 81 Ca 0.36 -0.46 -0.12 0.00 -1.81 0.00 0.00 61.98 59.95 2aek s VAL 81 Cb 0.21 -2.96 0.15 0.00 0.56 0.00 0.00 36.38 34.34 2aek s VAL 81 CO 0.37 0.00 1.09 -0.94 -0.31 0.00 0.00 175.10 175.31 2aek s SER 82 N -4.51 3.13 0.07 4.85 1.04 -1.26 -4.82 113.70 112.20 2aek s SER 82 Ca 0.60 1.32 -0.27 0.00 0.48 0.00 0.00 55.95 58.08 2aek s SER 82 Cb -0.10 -1.99 -0.17 0.00 0.10 0.00 0.00 66.02 63.86 2aek s SER 82 CO 0.42 -2.83 1.63 0.11 0.98 0.00 0.00 173.24 173.54 2aek h LYS 83 N -1.68 -0.35 -0.91 4.02 1.57 -1.98 -0.91 116.57 116.33 2aek h LYS 83 Ca -0.52 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.41 2aek h LYS 83 Cb 1.31 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.61 2aek h LYS 83 CO 0.56 -0.19 0.53 0.93 -0.57 0.00 0.00 179.45 180.72 2aek h GLU 84 N -0.42 0.80 -0.55 3.15 4.39 -1.98 -0.89 114.58 119.08 2aek h GLU 84 Ca -0.04 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2aek h GLU 84 Cb 0.32 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 2aek h GLU 84 CO 0.06 0.53 0.28 0.00 -1.16 0.00 0.00 179.01 178.73 2aek h MET 86 N 0.74 0.66 0.32 0.00 2.86 0.04 -0.46 114.93 119.10 2aek h MET 86 Ca 0.19 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2aek h MET 86 Cb 0.09 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 2aek h MET 86 CO -0.03 0.44 -0.20 0.00 1.06 0.00 0.00 176.91 178.18 2aek h ALA 87 N 1.22 -1.05 -0.86 6.32 0.00 -0.85 0.91 119.26 124.95 2aek h ALA 87 Ca 0.21 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.19 2aek h ALA 87 Cb -0.03 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 2aek h ALA 87 CO -0.07 -1.03 0.40 -0.44 0.00 0.00 0.00 179.25 178.11 2aek h ASP 88 N -0.49 0.42 0.01 0.00 3.32 -0.99 0.76 116.42 119.46 2aek h ASP 88 Ca -0.04 0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 2aek h ASP 88 Cb 0.39 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2aek h ASP 88 CO 0.04 0.12 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.46 2aek h LEU 89 N 0.52 0.28 -0.84 1.55 3.38 -0.99 -1.96 115.31 117.25 2aek h LEU 89 Ca 0.49 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.35 2aek h LEU 89 Cb 0.80 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2aek h LEU 89 CO -0.43 0.46 0.30 0.28 0.09 0.00 0.00 178.44 179.14 2aek h SER 90 N 0.27 1.06 -0.20 -0.43 0.02 0.31 0.12 113.55 114.71 2aek h SER 90 Ca 0.05 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 2aek h SER 90 Cb 0.45 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2aek h SER 90 CO 0.03 0.95 -0.03 0.40 -1.14 0.00 0.00 176.83 177.04 2aek h ILE 91 N 1.12 1.27 -0.05 3.27 2.04 -0.51 -1.71 117.51 122.95 2aek h ILE 91 Ca 0.26 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2aek h ILE 91 Cb 0.22 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2aek h ILE 91 CO -0.02 0.29 0.03 -0.74 0.00 0.00 0.00 178.15 177.71 2aek h HIS 92 N 0.10 0.06 0.00 1.37 2.76 -1.12 -1.35 115.15 116.97 2aek h HIS 92 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2aek h HIS 92 Cb 0.46 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.39 2aek h HIS 92 CO 0.05 0.06 0.00 1.88 -1.30 0.00 0.00 177.93 178.61 2aek h TYR 93 N 0.05 0.00 0.09 5.26 0.05 -1.01 -2.01 116.97 119.39 2aek h TYR 93 Ca 0.02 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.52 2aek h TYR 93 Cb 0.01 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.77 2aek h TYR 93 CO -0.07 0.00 -1.16 1.15 -1.05 0.00 0.00 178.16 177.03 2aek h THR 94 N 0.00 1.36 0.02 -2.88 2.02 -0.73 -1.84 112.91 110.87 2aek h THR 94 Ca 0.00 -2.58 -0.00 0.00 0.77 0.00 0.00 66.41 64.60 2aek h THR 94 Cb 0.51 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 2aek h THR 94 CO 0.00 0.77 -0.01 1.88 0.37 0.00 0.00 175.52 178.53 2aek h TYR 95 N 0.22 -0.03 -0.54 3.16 0.05 -0.71 -0.06 116.97 119.06 2aek h TYR 95 Ca -0.15 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.69 2aek h TYR 95 Cb 1.83 0.01 -0.05 0.00 1.01 0.00 0.00 36.73 39.53 2aek h TYR 95 CO 0.09 -0.01 0.27 1.79 -1.05 0.00 0.00 178.16 179.24 2aek h THR 96 N -0.03 0.94 -0.92 -2.88 1.35 -1.39 -1.62 112.91 108.35 2aek h THR 96 Ca -0.00 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.67 2aek h THR 96 Cb 0.03 0.38 -0.04 0.00 -1.73 0.00 0.00 68.15 66.78 2aek h THR 96 CO 0.01 0.09 0.54 0.25 -0.25 0.00 0.00 175.52 176.16 2aek h LEU 97 N 0.51 1.12 -1.39 3.87 5.85 -0.94 -2.23 115.31 122.09 2aek h LEU 97 Ca 0.24 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2aek h LEU 97 Cb 0.17 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2aek h LEU 97 CO -0.18 0.87 0.03 0.58 -0.34 0.00 0.00 178.44 179.40 2aek h VAL 98 N 1.27 1.16 0.00 1.05 2.07 -0.16 -2.83 116.25 118.82 2aek h VAL 98 Ca 0.33 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2aek h VAL 98 Cb -0.03 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2aek h VAL 98 CO -0.06 0.21 -0.14 0.25 0.02 0.00 0.00 177.57 177.85 2aek h LEU 99 N 0.42 0.00 0.00 2.57 5.85 -0.68 -1.15 115.31 122.32 2aek h LEU 99 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2aek h LEU 99 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2aek h LEU 99 CO 0.00 0.14 0.00 -0.67 -0.34 0.00 0.00 178.44 177.58 2aek n ASP 100 N -4.07 0.00 -0.02 1.25 -0.08 -1.07 -1.89 116.55 110.68 2aek n ASP 100 Ca -0.02 -0.62 0.05 0.00 -1.51 0.00 0.00 54.79 52.69 2aek n ASP 100 Cb 0.23 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.54 2aek n ASP 100 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2aek n ASP 101 N -0.86 0.18 -4.75 1.67 9.92 -0.43 -4.95 116.55 117.32 2aek n ASP 101 Ca 0.08 0.07 -0.41 0.00 -0.53 0.00 0.00 54.79 54.01 2aek n ASP 101 Cb 0.04 1.41 -0.04 0.00 -0.64 0.00 0.00 41.12 41.89 2aek n ASP 101 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2aek s SER 102 N -4.98 7.14 -0.02 -2.24 0.15 -0.79 -4.89 113.70 108.06 2aek s SER 102 Ca -0.07 2.28 0.19 0.00 0.70 0.00 0.00 55.95 59.05 2aek s SER 102 Cb 0.11 -2.62 -0.27 0.00 -1.71 0.00 0.00 66.02 61.53 2aek s SER 102 CO 0.87 -0.29 0.49 1.17 1.20 0.00 0.00 173.24 176.68 2aek n LYS 103 N 1.83 0.66 -1.69 5.44 4.81 -1.26 -4.99 118.16 122.96 2aek n LYS 103 Ca 0.02 -0.13 -0.45 0.00 -0.87 0.00 0.00 58.31 56.88 2aek n LYS 103 Cb 0.44 -1.42 -0.04 0.00 0.02 0.00 0.00 35.03 34.03 2aek n LYS 103 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2aek n ASP 104 N -1.99 3.54 -4.66 3.14 9.92 -1.26 -4.94 116.55 120.30 2aek n ASP 104 Ca -0.02 1.04 -0.42 0.00 -0.53 0.00 0.00 54.79 54.86 2aek n ASP 104 Cb 0.44 -1.48 -0.03 0.00 -0.64 0.00 0.00 41.12 39.42 2aek n ASP 104 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2aek s ASP 105 N 1.76 6.57 0.20 -2.24 -1.08 -1.26 -4.90 116.67 115.73 2aek s ASP 105 Ca 0.80 2.43 -0.07 0.00 -0.52 0.00 0.00 52.55 55.20 2aek s ASP 105 Cb -0.60 -2.53 0.13 0.00 -1.46 0.00 0.00 42.92 38.46 2aek s ASP 105 CO 0.38 -0.97 1.65 -0.65 0.52 0.00 0.00 175.17 176.10 2aek h PRO 106 N 9.86 0.96 -0.10 4.34 0.11 -1.95 -3.38 132.00 141.83 2aek h PRO 106 Ca -0.44 -0.32 0.01 0.00 0.11 0.00 0.00 66.00 65.36 2aek h PRO 106 Cb 1.20 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2aek h PRO 106 CO 0.95 0.99 -0.06 0.98 -0.21 0.00 0.00 178.00 180.65 2aek n TYR 107 N -4.16 -0.04 -0.06 0.65 4.19 -1.26 -0.48 117.16 115.99 2aek n TYR 107 Ca 0.02 0.13 0.16 0.00 3.31 0.00 0.00 57.90 61.52 2aek n TYR 107 Cb 0.37 -0.28 0.58 0.00 0.49 0.00 0.00 39.34 40.51 2aek n TYR 107 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2aek h PRO 108 N 0.00 0.22 0.00 2.98 0.13 -2.01 -1.31 132.00 132.01 2aek h PRO 108 Ca 0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2aek h PRO 108 Cb 0.04 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.12 2aek h PRO 108 CO -0.09 0.15 -0.38 0.25 -0.23 0.00 0.00 178.00 177.69 2aek n THR 109 N -4.44 0.11 1.09 1.56 -2.24 0.36 -3.69 114.28 107.03 2aek n THR 109 Ca 0.11 -0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 2aek n THR 109 Cb 0.50 -0.05 0.14 0.00 -2.10 0.00 0.00 70.33 68.82 2aek n THR 109 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2aek n MET 110 N -1.67 1.52 -0.13 -0.78 2.81 -0.52 -4.02 117.12 114.33 2aek n MET 110 Ca 0.05 -1.18 0.10 0.00 -1.81 0.00 0.00 57.70 54.86 2aek n MET 110 Cb 0.36 -1.48 0.44 0.00 -0.71 0.00 0.00 33.22 31.84 2aek n MET 110 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2aek h VAL 111 N 2.89 0.94 -0.07 2.03 2.07 -1.56 -2.50 116.25 120.04 2aek h VAL 111 Ca 0.00 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2aek h VAL 111 Cb 0.76 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2aek h VAL 111 CO 0.00 0.10 -0.24 0.59 0.02 0.00 0.00 177.57 178.04 2aek n ASN 112 N -4.48 2.18 0.02 0.57 3.02 -1.26 -4.85 115.26 110.46 2aek n ASN 112 Ca 0.10 -3.56 -0.11 0.00 -0.03 0.00 0.00 54.58 50.99 2aek n ASN 112 Cb 0.32 -0.51 -0.07 0.00 -0.61 0.00 0.00 39.78 38.91 2aek n ASN 112 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2aek h TYR 113 N 0.73 -1.08 -0.75 3.10 3.20 -1.68 -1.52 116.97 118.97 2aek h TYR 113 Ca 0.03 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 2aek h TYR 113 Cb 1.12 0.47 -0.04 0.00 1.54 0.00 0.00 36.73 39.83 2aek h TYR 113 CO 0.53 -0.38 0.37 0.35 -1.64 0.00 0.00 178.16 177.39 2aek h PHE 114 N -0.44 1.05 -0.42 -3.82 3.57 -1.89 -0.49 116.94 114.50 2aek h PHE 114 Ca 0.01 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 2aek h PHE 114 Cb 0.48 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2aek h PHE 114 CO -0.49 0.75 -0.21 -0.44 -2.23 0.00 0.00 178.31 175.69 2aek h ASP 115 N 1.05 0.85 -0.31 0.41 3.32 -1.90 -0.86 116.42 118.99 2aek h ASP 115 Ca 0.26 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 2aek h ASP 115 Cb 0.08 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2aek h ASP 115 CO -0.04 1.03 -0.26 0.44 -1.72 0.00 0.00 179.24 178.70 2aek h ASP 116 N 0.73 0.75 -0.11 6.45 3.32 -1.11 -2.02 116.42 124.44 2aek h ASP 116 Ca 0.10 -0.45 0.03 0.00 0.02 0.00 0.00 57.03 56.73 2aek h ASP 116 Cb 0.74 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 2aek h ASP 116 CO 0.06 1.05 -0.11 0.25 -1.72 0.00 0.00 179.24 178.77 2aek h LEU 117 N 0.47 -0.35 -1.32 1.55 5.85 -0.82 0.55 115.31 121.23 2aek h LEU 117 Ca 0.05 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2aek h LEU 117 Cb 0.82 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2aek h LEU 117 CO 0.07 -0.15 -0.33 -0.61 -0.34 0.00 0.00 178.44 177.07 2aek h GLN 118 N -0.14 0.00 -0.00 1.25 5.75 -1.17 -2.82 115.11 117.98 2aek h GLN 118 Ca 0.08 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 2aek h GLN 118 Cb 0.25 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.80 2aek h GLN 118 CO -0.19 0.33 -0.30 0.00 -2.65 0.00 0.00 178.83 176.02 2aek n ALA 119 N -2.42 3.07 -1.30 3.38 0.00 -0.74 -4.94 120.51 117.55 2aek n ALA 119 Ca -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 53.44 53.14 2aek n ALA 119 Cb 0.39 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 2aek n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aek n GLY 120 N 1.48 0.51 3.83 0.00 0.00 0.07 -5.04 105.19 106.04 2aek n GLY 120 Ca 0.07 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 2aek n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aek s ARG 121 N -2.66 4.04 0.28 1.61 0.52 -0.52 -5.02 118.95 117.20 2aek s ARG 121 Ca 0.00 0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 55.47 2aek s ARG 121 Cb 0.00 -3.16 -0.13 0.00 0.52 0.00 0.00 34.95 32.18 2aek s ARG 121 CO 0.00 0.62 1.29 -1.91 0.02 0.00 0.00 175.30 175.32 2aek n GLU 122 N 1.54 1.92 -1.33 3.54 2.13 -1.26 -4.49 120.64 122.68 2aek n GLU 122 Ca -0.10 0.68 -0.33 0.00 0.66 0.00 0.00 57.16 58.06 2aek n GLU 122 Cb 0.52 -2.25 0.10 0.00 0.27 0.00 0.00 31.44 30.07 2aek n GLU 122 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2aek s GLN 123 N -1.11 2.03 0.04 5.31 -1.52 -1.26 -4.96 119.66 118.18 2aek s GLN 123 Ca 0.62 1.65 -0.17 0.00 -1.95 0.00 0.00 55.36 55.51 2aek s GLN 123 Cb -0.64 -1.83 -0.22 0.00 -0.22 0.00 0.00 33.01 30.10 2aek s GLN 123 CO 0.56 -1.89 1.16 0.00 -0.25 0.00 0.00 175.29 174.86 2aek h ALA 124 N -0.58 0.12 -2.00 6.09 0.00 -1.91 -3.42 119.26 117.56 2aek h ALA 124 Ca -0.46 -0.61 -0.57 0.00 0.00 0.00 0.00 54.91 53.27 2aek h ALA 124 Cb 1.28 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2aek h ALA 124 CO 0.49 0.49 1.08 -1.58 0.00 0.00 0.00 179.25 179.74 2aek s HIS 125 N -3.34 2.27 0.37 0.00 5.04 -1.26 -4.89 115.29 113.49 2aek s HIS 125 Ca -0.12 0.64 0.17 0.00 -1.54 0.00 0.00 55.06 54.21 2aek s HIS 125 Cb 0.05 -3.97 1.09 0.00 0.04 0.00 0.00 32.58 29.79 2aek s HIS 125 CO 0.86 -2.56 1.72 -1.00 -2.34 0.00 0.00 174.74 171.43 2aek h PRO 126 N 10.36 0.38 0.80 2.88 0.13 -1.89 -1.07 132.00 143.59 2aek h PRO 126 Ca -0.31 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.76 2aek h PRO 126 Cb 1.14 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2aek h PRO 126 CO 1.01 0.25 -0.48 2.35 -0.23 0.00 0.00 178.00 180.91 2aek h TRP 127 N 0.39 -1.27 -0.75 1.56 7.01 -1.90 -0.48 115.95 120.51 2aek h TRP 127 Ca 0.67 -0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.79 2aek h TRP 127 Cb 1.61 0.45 -0.09 0.00 -2.10 0.00 0.00 29.16 29.02 2aek h TRP 127 CO -0.01 -0.72 0.30 -1.49 -2.79 0.00 0.00 178.44 173.74 2aek h TRP 128 N -1.19 0.51 -0.54 2.65 -0.00 -1.62 0.50 115.95 116.26 2aek h TRP 128 Ca -0.11 0.04 0.11 0.00 -0.00 0.00 0.00 58.89 58.92 2aek h TRP 128 Cb 0.95 -0.11 -0.09 0.00 -0.00 0.00 0.00 29.16 29.91 2aek h TRP 128 CO -0.09 0.07 0.01 0.00 -0.00 0.00 0.00 178.44 178.43 2aek h ALA 129 N 1.54 0.53 0.47 1.49 0.00 -0.71 0.12 119.26 122.70 2aek h ALA 129 Ca 0.41 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 2aek h ALA 129 Cb 0.62 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2aek h ALA 129 CO -0.40 -0.38 -0.23 -0.07 0.00 0.00 0.00 179.25 178.17 2aek h LEU 130 N 0.13 -0.54 -0.57 0.00 3.38 0.37 -3.04 115.31 115.05 2aek h LEU 130 Ca 0.27 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.37 2aek h LEU 130 Cb 0.42 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.20 2aek h LEU 130 CO -0.44 -0.12 -0.13 0.58 0.09 0.00 0.00 178.44 178.43 2aek h VAL 131 N -1.17 0.44 0.00 1.22 2.07 -0.83 0.06 116.25 118.05 2aek h VAL 131 Ca -0.07 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 2aek h VAL 131 Cb 0.49 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2aek h VAL 131 CO 0.11 0.00 -0.20 0.78 0.02 0.00 0.00 177.57 178.28 2aek h ASN 132 N 0.01 0.00 -0.07 0.57 2.35 -0.89 0.60 115.58 118.14 2aek h ASN 132 Ca 0.27 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.78 2aek h ASN 132 Cb 0.42 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.81 2aek h ASN 132 CO -0.57 0.20 -0.91 -0.08 -1.65 0.00 0.00 177.43 174.42 2aek h GLU 133 N 0.00 0.75 0.03 0.81 4.81 -1.08 -3.28 114.58 116.61 2aek h GLU 133 Ca -0.00 -0.70 -0.22 0.00 -0.13 0.00 0.00 59.36 58.31 2aek h GLU 133 Cb 0.51 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2aek h GLU 133 CO 0.03 1.29 -1.01 1.25 -0.73 0.00 0.00 179.01 179.84 2aek h HIS 134 N 0.47 0.12 -0.85 0.92 2.76 -0.34 -3.39 115.15 114.85 2aek h HIS 134 Ca -0.09 -0.08 0.27 0.00 -2.20 0.00 0.00 60.37 58.27 2aek h HIS 134 Cb 1.55 -0.01 -0.16 0.00 1.55 0.00 0.00 27.41 30.34 2aek h HIS 134 CO 0.09 1.03 0.16 0.34 -1.30 0.00 0.00 177.93 178.25 2aek n PHE 135 N -3.44 0.68 -0.18 5.26 -0.00 0.20 -1.10 117.46 118.89 2aek n PHE 135 Ca -0.02 1.02 0.16 0.00 -0.00 0.00 0.00 57.45 58.61 2aek n PHE 135 Cb 0.92 -1.23 0.51 0.00 -0.00 0.00 0.00 39.48 39.68 2aek n PHE 135 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 2aek h PRO 136 N 0.00 0.40 0.00 -7.13 0.11 -1.79 0.15 132.00 123.74 2aek h PRO 136 Ca 0.58 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.65 2aek h PRO 136 Cb 1.33 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2aek h PRO 136 CO -0.76 0.27 -0.10 -0.91 -0.21 0.00 0.00 178.00 176.29 2aek h ASN 137 N 0.41 0.00 0.00 -2.05 -0.26 -1.42 -0.41 115.58 111.85 2aek h ASN 137 Ca 0.39 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 56.07 2aek h ASN 137 Cb 0.91 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.16 2aek h ASN 137 CO -0.13 0.10 -0.57 0.58 -1.06 0.00 0.00 177.43 176.34 2aek h VAL 138 N 0.00 0.38 -0.47 2.81 2.07 -0.93 -3.38 116.25 116.73 2aek h VAL 138 Ca -0.00 -1.41 0.14 0.00 0.82 0.00 0.00 66.70 66.24 2aek h VAL 138 Cb 0.23 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2aek h VAL 138 CO 0.01 0.13 0.48 -0.07 0.02 0.00 0.00 177.57 178.14 2aek h LEU 139 N -1.00 0.00 -2.11 2.57 3.38 -0.83 -2.01 115.31 115.31 2aek h LEU 139 Ca -0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2aek h LEU 139 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2aek h LEU 139 CO -0.05 0.00 -0.02 0.08 0.09 0.00 0.00 178.44 178.54 2aek h ARG 140 N 0.00 0.00 0.00 1.13 0.11 -1.25 -1.75 114.38 112.62 2aek h ARG 140 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 2aek h ARG 140 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2aek h ARG 140 CO -0.00 0.02 0.00 0.72 0.10 0.00 0.00 179.97 180.80 2aek n HIS 141 N -4.30 0.00 -4.42 4.08 8.25 -0.75 -4.88 115.22 113.20 2aek n HIS 141 Ca -0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.22 2aek n HIS 141 Cb 0.10 -0.37 -0.10 0.00 1.12 0.00 0.00 29.99 30.74 2aek n HIS 141 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2aek s PHE 142 N -2.75 1.90 0.99 4.41 0.40 -0.66 -0.57 117.98 121.70 2aek s PHE 142 Ca 0.18 -0.74 -0.16 0.00 -0.60 0.00 0.00 56.93 55.61 2aek s PHE 142 Cb 0.16 -1.09 0.19 0.00 0.51 0.00 0.00 43.02 42.79 2aek s PHE 142 CO 0.39 0.23 1.23 0.20 0.70 0.00 0.00 175.22 177.97 2aek s GLY 143 N -3.43 1.68 0.24 4.36 0.00 -1.26 -4.78 107.32 104.14 2aek s GLY 143 Ca 0.29 -0.98 -0.05 0.00 0.00 0.00 0.00 44.72 43.98 2aek s GLY 143 CO 0.12 -0.25 1.83 -0.56 0.00 0.00 0.00 173.10 174.24 2aek h PRO 144 N -1.74 1.14 0.10 2.90 0.13 -1.98 -0.54 132.00 132.00 2aek h PRO 144 Ca -0.46 -0.17 -0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2aek h PRO 144 Cb 1.27 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2aek h PRO 144 CO 0.44 0.88 -0.05 0.35 -0.23 0.00 0.00 178.00 179.40 2aek h PHE 145 N 1.13 -0.12 -0.87 1.56 3.57 -1.98 -0.79 116.94 119.43 2aek h PHE 145 Ca 0.27 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2aek h PHE 145 Cb 0.13 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 2aek h PHE 145 CO 0.01 0.14 0.49 0.00 -2.23 0.00 0.00 178.31 176.73 2aek h SER 147 N 1.21 0.61 -0.98 0.00 0.02 -0.91 -1.59 113.55 111.91 2aek h SER 147 Ca 0.31 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.30 2aek h SER 147 Cb 0.00 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.33 2aek h SER 147 CO -0.05 0.44 0.63 0.25 -1.14 0.00 0.00 176.83 176.95 2aek h LEU 148 N 0.72 1.02 -0.46 5.07 5.85 -0.72 -0.53 115.31 126.26 2aek h LEU 148 Ca 0.20 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2aek h LEU 148 Cb -0.06 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 2aek h LEU 148 CO -0.05 0.66 0.20 0.78 -0.34 0.00 0.00 178.44 179.68 2aek h ASN 149 N 1.16 0.63 -0.31 1.25 2.35 -0.85 -0.90 115.58 118.90 2aek h ASN 149 Ca 0.41 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2aek h ASN 149 Cb 0.12 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2aek h ASN 149 CO -0.16 0.61 0.19 -0.07 -1.65 0.00 0.00 177.43 176.34 2aek h LEU 150 N 0.60 0.38 0.10 1.61 4.07 -0.45 -1.84 115.31 119.79 2aek h LEU 150 Ca 0.16 -0.06 0.02 0.00 0.08 0.00 0.00 57.88 58.07 2aek h LEU 150 Cb 0.17 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 2aek h LEU 150 CO -0.02 0.32 -0.21 0.40 -1.08 0.00 0.00 178.44 177.86 2aek h ILE 151 N 0.40 0.52 0.64 1.22 2.04 -0.88 -2.00 117.51 119.45 2aek h ILE 151 Ca 0.11 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 2aek h ILE 151 Cb 0.02 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2aek h ILE 151 CO -0.02 0.00 -0.48 0.03 0.00 0.00 0.00 178.15 177.68 2aek h ARG 152 N -0.39 -1.04 -0.91 2.37 3.08 -1.04 -2.06 114.38 114.39 2aek h ARG 152 Ca 0.03 0.07 0.22 0.00 0.07 0.00 0.00 59.98 60.37 2aek h ARG 152 Cb 0.42 0.24 -0.13 0.00 0.08 0.00 0.00 29.97 30.58 2aek h ARG 152 CO -0.12 -0.69 0.41 1.03 -1.07 0.00 0.00 179.97 179.52 2aek h SER 153 N -1.08 0.36 -0.67 7.04 0.87 -1.30 0.37 113.55 119.13 2aek h SER 153 Ca -0.08 0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 2aek h SER 153 Cb 0.90 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 2aek h SER 153 CO 0.02 0.00 0.20 0.74 -0.53 0.00 0.00 176.83 177.27 2aek h THR 154 N 0.41 1.25 -0.33 2.23 2.02 -1.12 0.25 112.91 117.63 2aek h THR 154 Ca 0.57 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 2aek h THR 154 Cb 1.09 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2aek h THR 154 CO -0.53 0.34 0.13 0.25 0.37 0.00 0.00 175.52 176.08 2aek h LEU 155 N 0.99 0.46 -0.59 2.58 5.85 0.10 -0.74 115.31 123.95 2aek h LEU 155 Ca 0.22 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.81 2aek h LEU 155 Cb 0.31 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 2aek h LEU 155 CO -0.01 0.50 0.32 0.44 -0.34 0.00 0.00 178.44 179.36 2aek h ASP 156 N 0.38 0.48 -0.70 1.25 5.19 -0.10 -2.20 116.42 120.72 2aek h ASP 156 Ca 0.11 0.03 0.05 0.00 -0.62 0.00 0.00 57.03 56.60 2aek h ASP 156 Cb 0.19 -0.07 -0.05 0.00 0.18 0.00 0.00 39.33 39.58 2aek h ASP 156 CO -0.01 0.32 0.41 0.15 -3.12 0.00 0.00 179.24 176.99 2aek h PHE 157 N 0.61 0.76 -0.86 4.55 3.57 0.16 -0.07 116.94 125.65 2aek h PHE 157 Ca 0.26 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.82 2aek h PHE 157 Cb 0.14 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 2aek h PHE 157 CO -0.09 0.39 0.55 0.35 -2.23 0.00 0.00 178.31 177.28 2aek h PHE 158 N 0.77 1.03 -0.41 0.41 3.57 -0.54 -0.48 116.94 121.29 2aek h PHE 158 Ca 0.30 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.71 2aek h PHE 158 Cb 0.14 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 2aek h PHE 158 CO -0.06 0.58 -0.21 1.49 -2.23 0.00 0.00 178.31 177.88 2aek h GLU 159 N 1.06 0.86 -0.54 1.11 4.81 -1.03 -2.55 114.58 118.31 2aek h GLU 159 Ca 0.35 -0.38 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2aek h GLU 159 Cb 0.04 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.33 2aek h GLU 159 CO -0.13 1.02 0.17 0.78 -0.73 0.00 0.00 179.01 180.12 2aek h GLY 160 N 0.68 0.71 1.01 1.92 0.00 -0.07 0.45 103.07 107.77 2aek h GLY 160 Ca 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2aek h GLY 160 CO 0.06 -0.03 0.41 0.00 0.00 0.00 0.00 176.54 176.98 2aek h TRP 162 N 1.06 -0.60 -0.76 0.00 2.91 -0.78 -1.40 115.95 116.37 2aek h TRP 162 Ca 0.27 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.31 2aek h TRP 162 Cb 0.05 0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 28.92 2aek h TRP 162 CO 0.00 -0.32 0.48 0.82 -1.03 0.00 0.00 178.44 178.40 2aek h ILE 163 N -0.38 1.21 -0.00 2.65 2.04 -0.49 -1.62 117.51 120.92 2aek h ILE 163 Ca 0.05 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2aek h ILE 163 Cb 0.44 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2aek h ILE 163 CO -0.18 0.21 0.00 -0.33 0.00 0.00 0.00 178.15 177.85 2aek h GLU 164 N 1.04 0.00 0.00 2.37 5.08 -0.18 -1.14 114.58 121.75 2aek h GLU 164 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2aek h GLU 164 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2aek h GLU 164 CO -0.06 0.00 0.00 1.96 -1.00 0.00 0.00 179.01 179.91 2aek h GLN 165 N 0.00 0.00 -0.15 2.33 4.20 -0.24 -0.68 115.11 120.57 2aek h GLN 165 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2aek h GLN 165 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2aek h GLN 165 CO -0.00 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.82 2aek n TYR 166 N -2.66 0.18 -4.27 2.96 4.02 -0.43 -4.94 117.16 112.01 2aek n TYR 166 Ca -0.02 -0.09 -0.33 0.00 -0.01 0.00 0.00 57.90 57.45 2aek n TYR 166 Cb 0.08 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.34 2aek n TYR 166 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2aek n ASN 167 N 0.57 -0.68 -4.56 7.72 3.02 -0.26 -4.89 115.26 116.17 2aek n ASN 167 Ca 0.17 -1.17 -0.39 0.00 -0.03 0.00 0.00 54.58 53.17 2aek n ASN 167 Cb 0.41 -2.11 -0.11 0.00 -0.61 0.00 0.00 39.78 37.35 2aek n ASN 167 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2aek s PHE 168 N -3.85 3.22 -1.98 3.10 5.36 -1.26 -4.91 117.98 117.65 2aek s PHE 168 Ca 0.32 -0.01 0.11 0.00 -0.96 0.00 0.00 56.93 56.38 2aek s PHE 168 Cb -0.18 -2.40 0.31 0.00 -0.34 0.00 0.00 43.02 40.41 2aek s PHE 168 CO 0.97 -0.23 1.25 0.41 -1.46 0.00 0.00 175.22 176.16 2aek n GLY 169 N 5.07 0.64 0.00 13.12 0.00 -1.26 -5.02 105.19 117.74 2aek n GLY 169 Ca -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2aek n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aek n GLY 170 N 1.04 0.42 3.75 -0.02 0.00 -1.26 -4.03 105.19 105.09 2aek n GLY 170 Ca 0.12 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 2aek n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aek s PHE 171 N -2.79 3.83 0.11 1.61 0.08 -1.26 -4.53 117.98 115.04 2aek s PHE 171 Ca 0.00 1.83 -0.34 0.00 0.12 0.00 0.00 56.93 58.54 2aek s PHE 171 Cb 0.00 -3.09 -0.13 0.00 -0.57 0.00 0.00 43.02 39.22 2aek s PHE 171 CO 0.00 0.08 1.64 -2.30 -0.10 0.00 0.00 175.22 174.54 2aek n PRO 172 N 1.49 2.13 0.00 0.24 -0.02 -1.26 -0.58 135.00 137.01 2aek n PRO 172 Ca -0.01 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2aek n PRO 172 Cb 0.46 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2aek n PRO 172 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aek n GLY 173 N 3.60 0.07 2.74 -1.23 0.00 0.67 -4.98 105.19 106.06 2aek n GLY 173 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2aek n GLY 173 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2aek n SER 174 N 0.00 5.34 -0.09 1.61 2.88 0.26 -4.80 113.62 118.81 2aek n SER 174 Ca 0.00 -3.00 0.19 0.00 -1.33 0.00 0.00 58.87 54.73 2aek n SER 174 Cb 0.00 -1.52 0.61 0.00 -0.75 0.00 0.00 64.21 62.55 2aek n SER 174 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2aek h HIS 175 N 5.63 0.22 0.00 0.66 3.86 -1.85 -1.11 115.15 122.56 2aek h HIS 175 Ca 0.51 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.73 2aek h HIS 175 Cb 0.57 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2aek h HIS 175 CO 1.39 0.08 0.00 -0.25 0.86 0.00 0.00 177.93 180.02 2aek n ASP 176 N -4.41 0.36 0.21 2.45 8.00 -1.26 -4.19 116.55 117.70 2aek n ASP 176 Ca 0.13 0.55 -0.15 0.00 0.71 0.00 0.00 54.79 56.03 2aek n ASP 176 Cb 0.61 -0.64 -0.08 0.00 -0.02 0.00 0.00 41.12 40.99 2aek n ASP 176 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2aek h TYR 177 N 0.00 -0.47 -0.39 1.24 3.20 -1.60 -2.89 116.97 116.05 2aek h TYR 177 Ca 0.00 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.91 2aek h TYR 177 Cb 0.51 0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.85 2aek h TYR 177 CO 0.00 -0.21 -0.54 -1.35 -1.64 0.00 0.00 178.16 174.42 2aek h PRO 178 N -0.65 -0.39 0.00 1.82 0.11 -1.77 -0.72 132.00 130.41 2aek h PRO 178 Ca -0.05 0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 2aek h PRO 178 Cb 0.47 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 2aek h PRO 178 CO 0.09 -0.26 -0.28 1.96 -0.21 0.00 0.00 178.00 179.30 2aek h GLN 179 N -0.40 0.00 -0.26 1.05 4.20 -1.83 -1.30 115.11 116.57 2aek h GLN 179 Ca 0.08 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2aek h GLN 179 Cb 0.60 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2aek h GLN 179 CO -0.58 0.28 0.16 0.35 -0.67 0.00 0.00 178.83 178.36 2aek h PHE 180 N 0.00 0.34 -0.13 2.96 3.57 -1.07 -1.16 116.94 121.45 2aek h PHE 180 Ca -0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2aek h PHE 180 Cb 0.70 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2aek h PHE 180 CO 0.00 0.26 -0.30 1.25 -2.23 0.00 0.00 178.31 177.29 2aek h LEU 181 N 0.33 0.49 -0.49 0.59 5.85 -0.91 -2.20 115.31 118.97 2aek h LEU 181 Ca 0.09 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.29 2aek h LEU 181 Cb 0.02 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2aek h LEU 181 CO -0.02 0.97 0.23 -0.09 -0.34 0.00 0.00 178.44 179.19 2aek h ARG 182 N 0.03 0.43 -0.39 1.25 9.65 -1.15 -0.43 114.38 123.77 2aek h ARG 182 Ca -0.00 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.78 2aek h ARG 182 Cb 0.90 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.37 2aek h ARG 182 CO 0.07 0.28 -0.07 0.00 2.80 0.00 0.00 179.97 183.05 2aek h ARG 183 N 0.44 0.66 -0.81 0.20 3.08 -1.25 -0.37 114.38 116.33 2aek h ARG 183 Ca 0.22 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 60.15 2aek h ARG 183 Cb 0.16 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 2aek h ARG 183 CO -0.18 0.73 0.53 1.98 -1.07 0.00 0.00 179.97 181.96 2aek h MET 184 N 0.61 0.86 -0.04 0.04 4.05 -0.44 -3.03 114.93 116.99 2aek h MET 184 Ca 0.11 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2aek h MET 184 Cb 0.49 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 2aek h MET 184 CO 0.03 0.57 0.00 0.27 0.23 0.00 0.00 176.91 178.00 2aek n ASN 185 N -4.48 2.50 0.06 1.39 0.23 -0.81 -2.67 115.26 111.48 2aek n ASN 185 Ca 0.12 -2.94 0.12 0.00 -0.53 0.00 0.00 54.58 51.36 2aek n ASN 185 Cb 0.21 -0.39 0.27 0.00 -2.08 0.00 0.00 39.78 37.79 2aek n ASN 185 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2aek n GLY 186 N -1.19 -1.46 2.43 4.83 0.00 -0.17 -4.92 105.19 104.71 2aek n GLY 186 Ca 0.15 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 2aek n GLY 186 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aek n LEU 187 N -2.00 -1.40 -0.18 0.99 4.77 -1.26 -4.85 117.00 113.06 2aek n LEU 187 Ca 0.04 0.41 -0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2aek n LEU 187 Cb 0.41 -2.63 0.09 0.00 -2.33 0.00 0.00 43.42 38.96 2aek n LEU 187 CO 0.34 -0.89 0.86 1.23 -1.33 0.00 0.00 177.39 177.60 2aek h GLY 188 N 0.00 0.62 2.00 -0.72 0.00 -1.85 0.41 103.07 103.54 2aek h GLY 188 Ca -0.39 0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2aek h GLY 188 CO 0.56 -0.15 0.00 0.45 0.00 0.00 0.00 176.54 177.39 2aek h HIS 189 N 0.15 0.00 -0.00 5.60 3.86 -1.88 -0.40 115.15 122.48 2aek h HIS 189 Ca 0.29 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 2aek h HIS 189 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 2aek h HIS 189 CO -0.31 0.00 -0.02 0.00 0.86 0.00 0.00 177.93 178.45 2aek h VAL 191 N -0.74 0.27 -0.87 0.00 2.07 -0.96 -1.58 116.25 114.45 2aek h VAL 191 Ca -0.00 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.72 2aek h VAL 191 Cb 0.78 0.27 -0.12 0.00 -1.52 0.00 0.00 31.29 30.70 2aek h VAL 191 CO 0.00 0.00 0.36 1.23 0.02 0.00 0.00 177.57 179.19 2aek h GLY 192 N -0.95 1.44 1.54 2.17 0.00 -1.16 -1.60 103.07 104.52 2aek h GLY 192 Ca -0.09 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 2aek h GLY 192 CO 0.12 -0.24 -0.84 0.00 0.00 0.00 0.00 176.54 175.58 2aek h ALA 193 N 1.68 0.67 0.00 3.60 0.00 -1.39 -3.29 119.26 120.53 2aek h ALA 193 Ca 0.53 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2aek h ALA 193 Cb 0.98 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2aek h ALA 193 CO -0.52 0.63 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 2aek n SER 194 N -3.04 0.00 0.00 0.00 3.41 -0.60 -2.72 113.62 110.66 2aek n SER 194 Ca -0.02 -0.05 0.14 0.00 -0.26 0.00 0.00 58.87 58.68 2aek n SER 194 Cb 0.74 -0.27 0.69 0.00 -0.26 0.00 0.00 64.21 65.11 2aek n SER 194 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2aek n LEU 195 N -1.27 0.00 -3.39 1.04 4.77 -1.14 -4.45 117.00 112.55 2aek n LEU 195 Ca 0.11 0.35 -0.27 0.00 -0.03 0.00 0.00 56.01 56.17 2aek n LEU 195 Cb 0.17 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 40.83 2aek n LEU 195 CO 0.16 -0.02 0.01 0.79 -1.33 0.00 0.00 177.39 177.01 2aek n TRP 196 N -1.35 2.96 -1.72 -1.77 7.02 -1.10 -4.99 117.44 116.50 2aek n TRP 196 Ca 0.12 -4.06 -0.42 0.00 -1.02 0.00 0.00 57.50 52.12 2aek n TRP 196 Cb 0.26 -0.52 -0.00 0.00 -2.42 0.00 0.00 31.31 28.62 2aek n TRP 196 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 2aek n PRO 197 N 0.97 2.24 0.13 -0.99 -0.02 -1.26 -4.73 135.00 131.34 2aek n PRO 197 Ca 0.28 0.79 0.11 0.00 -2.02 0.00 0.00 63.50 62.66 2aek n PRO 197 Cb 0.43 -2.43 0.49 0.00 -0.02 0.00 0.00 33.50 31.97 2aek n PRO 197 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2aek n LYS 198 N 0.44 0.17 0.10 -0.52 2.85 0.27 -1.47 118.16 120.00 2aek n LYS 198 Ca 0.04 0.47 -0.01 0.00 -1.05 0.00 0.00 58.31 57.76 2aek n LYS 198 Cb 0.37 -1.86 0.28 0.00 -0.65 0.00 0.00 35.03 33.17 2aek n LYS 198 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2aek h GLU 199 N 0.00 0.26 0.00 -1.58 4.81 -1.89 -3.26 114.58 112.92 2aek h GLU 199 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2aek h GLU 199 Cb 0.26 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2aek h GLU 199 CO 0.00 0.54 0.00 0.00 -0.73 0.00 0.00 179.01 178.82 2aek n GLN 200 N -4.12 2.11 -3.80 1.92 0.00 -0.93 -5.04 117.38 107.52 2aek n GLN 200 Ca -0.01 -1.22 -0.12 0.00 0.00 0.00 0.00 57.00 55.65 2aek n GLN 200 Cb 0.40 -0.90 -0.11 0.00 0.00 0.00 0.00 30.24 29.63 2aek n GLN 200 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2aek s PHE 201 N -0.73 -0.21 -0.49 2.61 0.40 -0.54 -4.99 117.98 114.03 2aek s PHE 201 Ca 0.00 0.50 -0.15 0.00 -0.60 0.00 0.00 56.93 56.67 2aek s PHE 201 Cb 0.00 0.07 0.09 0.00 0.51 0.00 0.00 43.02 43.69 2aek s PHE 201 CO 0.00 -0.17 0.43 1.21 0.70 0.00 0.00 175.22 177.39 2aek s ASN 202 N -0.19 6.13 0.34 1.36 3.84 -1.26 -4.24 114.94 120.91 2aek s ASN 202 Ca -0.03 -1.51 0.09 0.00 0.21 0.00 0.00 52.86 51.62 2aek s ASN 202 Cb -0.03 -2.18 0.82 0.00 -0.55 0.00 0.00 41.25 39.32 2aek s ASN 202 CO 0.01 -0.72 1.81 -0.08 -2.79 0.00 0.00 177.10 175.33 2aek h GLU 203 N 8.78 0.67 0.03 0.43 4.81 -1.92 0.36 114.58 127.73 2aek h GLU 203 Ca -0.29 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 58.74 2aek h GLU 203 Cb 1.10 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.35 2aek h GLU 203 CO 0.93 0.44 -0.66 0.00 -0.73 0.00 0.00 179.01 178.99 2aek h ARG 204 N 0.69 0.40 -0.29 1.92 3.08 -1.97 -0.68 114.38 117.53 2aek h ARG 204 Ca 0.53 -0.47 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 2aek h ARG 204 Cb 0.93 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 2aek h ARG 204 CO -0.30 1.14 -0.29 0.77 -1.07 0.00 0.00 179.97 180.22 2aek h SER 205 N -0.13 0.61 -0.40 7.04 0.02 -1.81 -3.08 113.55 115.80 2aek h SER 205 Ca -0.09 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.59 2aek h SER 205 Cb 1.39 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 2aek h SER 205 CO 0.13 0.87 0.03 0.18 -1.14 0.00 0.00 176.83 176.89 2aek n LEU 206 N -4.09 4.64 -0.24 5.07 4.77 0.12 -4.75 117.00 122.52 2aek n LEU 206 Ca -0.01 -3.08 0.03 0.00 -0.03 0.00 0.00 56.01 52.92 2aek n LEU 206 Cb 0.45 -0.61 0.11 0.00 -2.33 0.00 0.00 43.42 41.04 2aek n LEU 206 CO 0.44 0.72 0.78 0.15 -1.33 0.00 0.00 177.39 178.15 2aek h PHE 207 N 2.40 -0.18 -0.44 -1.77 3.57 -1.02 0.89 116.94 120.39 2aek h PHE 207 Ca 0.05 0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 2aek h PHE 207 Cb 1.70 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.62 2aek h PHE 207 CO 0.78 -0.26 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.35 2aek h LEU 208 N 0.06 0.87 -0.15 0.59 3.38 -1.86 -0.59 115.31 117.61 2aek h LEU 208 Ca 0.37 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 2aek h LEU 208 Cb 0.61 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2aek h LEU 208 CO -0.66 1.04 -0.36 1.05 0.09 0.00 0.00 178.44 179.60 2aek h GLU 209 N 0.76 0.51 -0.10 1.13 9.09 -1.69 -1.70 114.58 122.58 2aek h GLU 209 Ca 0.11 -0.35 0.03 0.00 0.05 0.00 0.00 59.36 59.20 2aek h GLU 209 Cb 0.72 0.05 -0.03 0.00 -1.65 0.00 0.00 28.75 27.84 2aek h GLU 209 CO 0.06 0.96 -0.05 0.82 0.05 0.00 0.00 179.01 180.84 2aek h ILE 210 N 0.14 0.83 -0.22 -1.06 2.04 -0.81 0.42 117.51 118.86 2aek h ILE 210 Ca -0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2aek h ILE 210 Cb 0.96 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 2aek h ILE 210 CO 0.08 0.00 -0.08 0.74 0.00 0.00 0.00 178.15 178.88 2aek h THR 211 N -0.05 0.71 -0.79 -0.27 2.02 -1.11 0.24 112.91 113.67 2aek h THR 211 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 2aek h THR 211 Cb 0.13 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 2aek h THR 211 CO -0.13 0.00 0.51 0.28 0.37 0.00 0.00 175.52 176.55 2aek h SER 212 N -0.04 0.92 -0.11 4.18 0.02 -0.80 -0.60 113.55 117.12 2aek h SER 212 Ca 0.12 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2aek h SER 212 Cb 0.22 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2aek h SER 212 CO -0.26 0.68 0.05 0.00 -1.14 0.00 0.00 176.83 176.16 2aek h ALA 213 N 1.49 0.14 0.12 3.77 0.00 0.11 -0.75 119.26 124.14 2aek h ALA 213 Ca 0.29 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2aek h ALA 213 Cb -0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2aek h ALA 213 CO -0.06 -0.28 -0.21 0.82 0.00 0.00 0.00 179.25 179.52 2aek h ILE 214 N 0.04 0.54 -0.55 0.00 2.04 0.05 0.58 117.51 120.20 2aek h ILE 214 Ca 0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.00 2aek h ILE 214 Cb 0.15 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 2aek h ILE 214 CO -0.00 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.25 2aek h ALA 215 N 0.40 0.62 0.25 1.87 0.00 -0.94 -1.08 119.26 120.39 2aek h ALA 215 Ca 0.02 0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.72 2aek h ALA 215 Cb 0.41 0.17 0.04 0.00 0.00 0.00 0.00 17.79 18.40 2aek h ALA 215 CO -0.11 -0.31 -1.52 1.96 0.00 0.00 0.00 179.25 179.27 2aek h GLN 216 N 0.24 0.53 -0.84 0.00 4.20 -0.92 -3.34 115.11 114.98 2aek h GLN 216 Ca 0.28 -0.90 0.00 0.00 0.06 0.00 0.00 58.65 58.10 2aek h GLN 216 Cb 0.40 0.34 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 2aek h GLN 216 CO -0.37 1.43 0.54 1.98 -0.67 0.00 0.00 178.83 181.74 2aek h MET 217 N 0.14 1.12 -0.71 1.46 4.05 0.33 -2.91 114.93 118.40 2aek h MET 217 Ca -0.27 -0.08 0.14 0.00 -0.28 0.00 0.00 59.70 59.21 2aek h MET 217 Cb 2.16 -0.25 -0.13 0.00 -0.80 0.00 0.00 31.60 32.58 2aek h MET 217 CO 0.26 0.75 -0.23 1.49 0.23 0.00 0.00 176.91 179.42 2aek h GLU 218 N 1.14 -0.04 -0.01 0.39 4.81 -1.31 -0.35 114.58 119.21 2aek h GLU 218 Ca 0.31 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.33 2aek h GLU 218 Cb -0.10 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2aek h GLU 218 CO -0.06 -0.03 -0.87 -0.91 -0.73 0.00 0.00 179.01 176.41 2aek h ASN 219 N -0.04 0.39 0.44 1.04 2.35 -1.71 -3.05 115.58 114.99 2aek h ASN 219 Ca 0.32 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2aek h ASN 219 Cb 0.55 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2aek h ASN 219 CO -0.75 1.09 -0.21 -0.25 -1.65 0.00 0.00 177.43 175.66 2aek h TRP 220 N 0.18 -0.55 -0.28 1.19 7.01 -1.15 -1.64 115.95 120.71 2aek h TRP 220 Ca -0.05 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.00 2aek h TRP 220 Cb 1.49 0.18 -0.07 0.00 -2.10 0.00 0.00 29.16 28.66 2aek h TRP 220 CO 0.04 -0.28 -0.17 1.98 -2.79 0.00 0.00 178.44 177.23 2aek h MET 221 N -0.72 -0.13 -0.32 2.65 4.05 -1.19 0.11 114.93 119.38 2aek h MET 221 Ca -0.06 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.31 2aek h MET 221 Cb 0.52 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 2aek h MET 221 CO 0.10 -0.09 -0.01 -0.39 0.23 0.00 0.00 176.91 176.75 2aek h VAL 222 N -0.14 1.26 -0.67 -5.77 -1.51 -1.53 -2.10 116.25 105.80 2aek h VAL 222 Ca 0.15 -0.99 -0.08 0.00 -1.23 0.00 0.00 66.70 64.56 2aek h VAL 222 Cb 0.37 1.27 -0.03 0.00 -2.13 0.00 0.00 31.29 30.77 2aek h VAL 222 CO -0.37 0.32 0.12 -0.50 -1.23 0.00 0.00 177.57 175.91 2aek h TRP 223 N 0.37 1.17 -0.88 5.19 6.55 -1.04 0.19 115.95 127.51 2aek h TRP 223 Ca 0.09 -0.16 -0.02 0.00 0.95 0.00 0.00 58.89 59.76 2aek h TRP 223 Cb 0.47 -0.32 -0.04 0.00 -0.86 0.00 0.00 29.16 28.41 2aek h TRP 223 CO 0.04 0.97 0.48 0.28 -1.05 0.00 0.00 178.44 179.16 2aek h VAL 224 N 1.02 1.25 -0.30 1.49 2.07 -0.75 0.11 116.25 121.15 2aek h VAL 224 Ca 0.20 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2aek h VAL 224 Cb 0.43 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2aek h VAL 224 CO 0.01 0.28 0.06 -1.13 0.02 0.00 0.00 177.57 176.81 2aek h ASN 225 N 1.22 0.47 -0.80 0.57 -0.73 -0.79 -0.55 115.58 114.96 2aek h ASN 225 Ca 0.31 -0.25 0.05 0.00 1.87 0.00 0.00 56.30 58.28 2aek h ASN 225 Cb 0.02 -0.12 -0.06 0.00 0.27 0.00 0.00 38.32 38.44 2aek h ASN 225 CO -0.05 0.59 0.49 0.44 -0.37 0.00 0.00 177.43 178.54 2aek h ASP 226 N 0.32 0.78 0.74 1.15 3.32 -0.15 0.76 116.42 123.34 2aek h ASP 226 Ca 0.09 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 2aek h ASP 226 Cb 0.32 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.72 2aek h ASP 226 CO 0.00 0.51 -0.36 0.25 -1.72 0.00 0.00 179.24 177.93 2aek h LEU 227 N 0.92 -0.85 -2.15 1.55 5.85 -0.76 -1.30 115.31 118.57 2aek h LEU 227 Ca 0.34 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.15 2aek h LEU 227 Cb 0.12 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2aek h LEU 227 CO -0.15 -0.49 0.27 0.24 -0.34 0.00 0.00 178.44 177.96 2aek h MET 228 N -1.22 0.00 0.00 1.25 2.86 -0.97 0.73 114.93 117.58 2aek h MET 228 Ca -0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2aek h MET 228 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 2aek h MET 228 CO 0.17 0.00 -0.55 0.77 1.06 0.00 0.00 176.91 178.36 2aek h SER 229 N 0.00 0.00 -0.73 1.22 0.02 -0.65 -3.37 113.55 110.04 2aek h SER 229 Ca 0.12 -0.18 0.18 0.00 -0.84 0.00 0.00 61.79 61.07 2aek h SER 229 Cb 0.65 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 2aek h SER 229 CO -0.00 0.09 0.50 0.15 -1.14 0.00 0.00 176.83 176.43 2aek h PHE 230 N 0.00 0.26 0.15 3.45 3.57 0.36 -2.31 116.94 122.42 2aek h PHE 230 Ca 0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2aek h PHE 230 Cb 0.76 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.42 2aek h PHE 230 CO 0.00 0.09 -0.07 -0.92 -2.23 0.00 0.00 178.31 175.17 2aek h TYR 231 N 0.21 -0.19 -0.69 0.41 3.20 -1.74 -2.62 116.97 115.55 2aek h TYR 231 Ca 0.36 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 2aek h TYR 231 Cb 1.10 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 2aek h TYR 231 CO -0.00 0.24 0.37 1.57 -1.64 0.00 0.00 178.16 178.70 2aek h LYS 232 N -0.73 0.96 0.00 1.82 2.10 -1.70 -2.67 116.57 116.36 2aek h LYS 232 Ca -0.02 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 2aek h LYS 232 Cb 0.52 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2aek h LYS 232 CO 0.03 0.73 0.00 0.39 -2.00 0.00 0.00 179.45 178.60 2aek n GLU 233 N -4.50 0.06 0.22 0.07 1.02 -0.89 -4.11 120.64 112.50 2aek n GLU 233 Ca 0.06 0.27 -0.15 0.00 -0.02 0.00 0.00 57.16 57.31 2aek n GLU 233 Cb 0.09 -1.61 -0.08 0.00 -0.02 0.00 0.00 31.44 29.83 2aek n GLU 233 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2aek h PHE 234 N 0.00 -0.96 -0.93 -0.32 3.57 -1.10 -2.79 116.94 114.42 2aek h PHE 234 Ca 0.00 0.01 -0.44 0.00 3.53 0.00 0.00 57.97 61.07 2aek h PHE 234 Cb 0.32 0.37 -0.26 0.00 2.79 0.00 0.00 35.95 39.18 2aek h PHE 234 CO 0.00 -0.50 0.56 -0.25 -2.23 0.00 0.00 178.31 175.89 2aek n ASP 235 N -5.46 4.01 -4.35 0.41 8.00 -1.26 -4.83 116.55 113.07 2aek n ASP 235 Ca -0.10 -3.49 -0.45 0.00 0.71 0.00 0.00 54.79 51.46 2aek n ASP 235 Cb 0.36 -0.81 -0.00 0.00 -0.02 0.00 0.00 41.12 40.65 2aek n ASP 235 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2aek s ASP 236 N -1.19 7.26 0.11 -2.24 2.15 -1.05 -4.85 116.67 116.86 2aek s ASP 236 Ca 0.56 -3.47 0.06 0.00 0.43 0.00 0.00 52.55 50.12 2aek s ASP 236 Cb 0.46 -2.23 0.30 0.00 -0.30 0.00 0.00 42.92 41.16 2aek s ASP 236 CO 0.11 -0.35 1.06 -0.62 -0.17 0.00 0.00 175.17 175.20 2aek n GLU 237 N 3.09 0.04 0.11 4.34 1.02 -1.26 -0.29 120.64 127.68 2aek n GLU 237 Ca 0.24 0.45 -0.19 0.00 -0.02 0.00 0.00 57.16 57.64 2aek n GLU 237 Cb 0.40 -1.78 -0.13 0.00 -0.02 0.00 0.00 31.44 29.91 2aek n GLU 237 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2aek h ARG 238 N 0.00 0.43 -5.90 3.49 3.08 -1.96 -3.41 114.38 110.11 2aek h ARG 238 Ca 0.00 -0.66 -0.62 0.00 0.07 0.00 0.00 59.98 58.78 2aek h ARG 238 Cb 0.31 0.23 -0.12 0.00 0.08 0.00 0.00 29.97 30.47 2aek h ARG 238 CO 0.00 1.29 0.43 0.34 -1.07 0.00 0.00 179.97 180.96 2aek s ASP 239 N -7.31 6.46 -0.10 7.04 2.15 0.60 -4.91 116.67 120.60 2aek s ASP 239 Ca -0.07 0.02 0.18 0.00 0.43 0.00 0.00 52.55 53.12 2aek s ASP 239 Cb 0.06 -2.41 -0.24 0.00 -0.30 0.00 0.00 42.92 40.03 2aek s ASP 239 CO 0.91 -0.93 0.36 0.00 -0.17 0.00 0.00 175.17 175.34 2aek n GLN 240 N 6.82 0.66 -4.71 4.34 6.02 -1.26 -4.89 117.38 124.36 2aek n GLN 240 Ca 0.04 0.04 -0.29 0.00 -0.01 0.00 0.00 57.00 56.78 2aek n GLN 240 Cb 0.48 -1.61 -0.14 0.00 1.02 0.00 0.00 30.24 29.99 2aek n GLN 240 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2aek s ILE 241 N -2.77 2.11 -0.15 5.09 -4.36 -1.26 -4.89 121.20 114.96 2aek s ILE 241 Ca -0.08 -1.48 -0.33 0.00 -0.26 0.00 0.00 60.65 58.51 2aek s ILE 241 Cb 0.08 -1.83 0.13 0.00 1.25 0.00 0.00 42.46 42.10 2aek s ILE 241 CO 0.84 0.26 1.12 -0.94 0.24 0.00 0.00 174.94 176.46 2aek s SER 242 N -1.49 -0.21 0.26 4.36 1.04 -1.26 -4.98 113.70 111.43 2aek s SER 242 Ca 0.12 0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.57 2aek s SER 242 Cb -0.10 0.21 0.57 0.00 0.10 0.00 0.00 66.02 66.80 2aek s SER 242 CO 0.03 -0.32 1.65 0.25 0.98 0.00 0.00 173.24 175.84 2aek h LEU 243 N 2.07 -0.09 0.01 2.42 5.85 -1.98 0.41 115.31 124.00 2aek h LEU 243 Ca -0.13 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2aek h LEU 243 Cb 1.18 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.48 2aek h LEU 243 CO 0.25 -0.13 -0.00 0.58 -0.34 0.00 0.00 178.44 178.80 2aek h VAL 244 N 0.20 1.41 -0.32 1.05 2.07 -1.95 -1.77 116.25 116.94 2aek h VAL 244 Ca 0.48 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2aek h VAL 244 Cb 0.89 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 2aek h VAL 244 CO -0.62 0.33 0.22 0.11 0.02 0.00 0.00 177.57 177.62 2aek h LYS 245 N -0.55 0.31 -0.01 1.57 1.57 -1.71 -1.31 116.57 116.44 2aek h LYS 245 Ca -0.00 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 2aek h LYS 245 Cb 0.54 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2aek h LYS 245 CO 0.00 0.21 -0.80 -0.91 -0.57 0.00 0.00 179.45 177.37 2aek h ASN 246 N 0.32 0.19 -0.14 0.86 4.21 -0.19 -2.29 115.58 118.54 2aek h ASN 246 Ca 0.13 -0.15 -0.00 0.00 1.21 0.00 0.00 56.30 57.49 2aek h ASN 246 Cb 0.13 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.26 2aek h ASN 246 CO -0.03 0.91 0.08 1.88 -1.29 0.00 0.00 177.43 178.99 2aek h TYR 247 N 0.09 0.19 -0.16 1.19 0.05 -0.33 0.26 116.97 118.26 2aek h TYR 247 Ca -0.03 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.79 2aek h TYR 247 Cb 1.40 -0.06 -0.07 0.00 1.01 0.00 0.00 36.73 39.01 2aek h TYR 247 CO 0.02 0.18 -0.46 0.28 -1.05 0.00 0.00 178.16 177.13 2aek h VAL 248 N 0.14 0.09 -0.04 -2.88 2.07 -1.29 0.75 116.25 115.10 2aek h VAL 248 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 2aek h VAL 248 Cb 0.05 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2aek h VAL 248 CO -0.01 0.00 0.01 0.58 0.02 0.00 0.00 177.57 178.17 2aek h VAL 249 N -0.51 1.21 -0.08 2.57 2.07 -1.23 -0.54 116.25 119.74 2aek h VAL 249 Ca 0.07 -0.63 -0.23 0.00 0.82 0.00 0.00 66.70 66.73 2aek h VAL 249 Cb 0.64 1.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2aek h VAL 249 CO -0.43 0.17 -0.88 0.28 0.02 0.00 0.00 177.57 176.73 2aek h SER 250 N -0.18 0.85 0.95 0.57 0.02 -0.37 -3.29 113.55 112.10 2aek h SER 250 Ca 0.01 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 2aek h SER 250 Cb 0.27 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2aek h SER 250 CO 0.00 1.41 -0.68 0.44 -1.14 0.00 0.00 176.83 176.86 2aek h ASP 251 N 0.44 0.00 -5.09 3.07 3.32 0.42 0.19 116.42 118.77 2aek h ASP 251 Ca -0.08 -0.16 -0.25 0.00 0.02 0.00 0.00 57.03 56.57 2aek h ASP 251 Cb 1.51 0.00 0.16 0.00 0.22 0.00 0.00 39.33 41.22 2aek h ASP 251 CO 0.17 0.08 -0.69 -0.62 -1.72 0.00 0.00 179.24 176.46 2aek n GLU 252 N -2.28 -3.80 -4.43 3.56 1.02 -0.23 -4.87 120.64 109.61 2aek n GLU 252 Ca 0.03 0.73 -0.21 0.00 -0.02 0.00 0.00 57.16 57.69 2aek n GLU 252 Cb 0.47 -5.27 -0.10 0.00 -0.02 0.00 0.00 31.44 26.51 2aek n GLU 252 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2aek s ILE 253 N -3.32 1.00 0.73 -3.67 -4.36 -1.06 -5.06 121.20 105.46 2aek s ILE 253 Ca 0.19 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.47 2aek s ILE 253 Cb -0.03 -2.72 0.03 0.00 1.25 0.00 0.00 42.46 40.99 2aek s ILE 253 CO 0.62 0.00 1.08 -0.94 0.24 0.00 0.00 174.94 175.94 2aek s SER 254 N -3.46 5.12 0.39 4.36 1.04 -1.26 -4.56 113.70 115.32 2aek s SER 254 Ca 0.36 1.43 0.07 0.00 0.48 0.00 0.00 55.95 58.29 2aek s SER 254 Cb 0.08 -2.26 0.79 0.00 0.10 0.00 0.00 66.02 64.73 2aek s SER 254 CO 0.15 -1.59 1.98 0.25 0.98 0.00 0.00 173.24 175.01 2aek h LEU 255 N -0.82 0.40 0.02 2.42 5.85 -1.96 0.46 115.31 121.69 2aek h LEU 255 Ca -0.45 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 2aek h LEU 255 Cb 1.24 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2aek h LEU 255 CO 0.59 0.40 -0.01 0.45 -0.34 0.00 0.00 178.44 179.53 2aek h HIS 256 N 0.44 -0.03 -0.54 1.25 3.86 -1.98 0.11 115.15 118.27 2aek h HIS 256 Ca 0.11 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 2aek h HIS 256 Cb 0.15 0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 2aek h HIS 256 CO 0.00 0.11 0.32 0.93 0.86 0.00 0.00 177.93 180.15 2aek h GLU 257 N -0.16 0.60 0.18 2.45 5.08 -1.67 0.23 114.58 121.29 2aek h GLU 257 Ca -0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2aek h GLU 257 Cb 0.15 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2aek h GLU 257 CO 0.01 0.40 -0.09 0.00 -1.00 0.00 0.00 179.01 178.33 2aek h ALA 258 N 1.25 -0.24 -0.33 3.43 0.00 -0.71 -0.22 119.26 122.44 2aek h ALA 258 Ca 0.22 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2aek h ALA 258 Cb 0.05 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2aek h ALA 258 CO -0.11 -0.62 0.22 1.25 0.00 0.00 0.00 179.25 179.99 2aek h LEU 259 N -0.27 0.33 0.77 0.00 5.85 -0.47 -1.83 115.31 119.69 2aek h LEU 259 Ca -0.02 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2aek h LEU 259 Cb 0.21 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2aek h LEU 259 CO 0.04 0.23 -0.41 -0.08 -0.34 0.00 0.00 178.44 177.88 2aek h GLU 260 N 0.38 -1.05 -0.70 1.25 4.57 0.24 -2.34 114.58 116.94 2aek h GLU 260 Ca 0.13 0.07 0.14 0.00 -1.18 0.00 0.00 59.36 58.52 2aek h GLU 260 Cb 0.04 0.24 -0.13 0.00 -0.16 0.00 0.00 28.75 28.74 2aek h GLU 260 CO -0.03 -0.70 -0.21 -0.22 -1.18 0.00 0.00 179.01 176.67 2aek h LYS 261 N -1.09 -0.03 -0.39 1.92 3.64 -0.43 -0.35 116.57 119.84 2aek h LYS 261 Ca -0.11 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.35 2aek h LYS 261 Cb 0.85 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.61 2aek h LYS 261 CO 0.15 -0.02 -0.04 1.25 -2.27 0.00 0.00 179.45 178.52 2aek h LEU 262 N -0.03 -0.24 -0.36 5.20 5.85 -1.25 -2.11 115.31 122.37 2aek h LEU 262 Ca 0.32 0.10 0.03 0.00 0.84 0.00 0.00 57.88 59.18 2aek h LEU 262 Cb 0.53 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 2aek h LEU 262 CO -0.73 -0.08 0.16 0.74 -0.34 0.00 0.00 178.44 178.19 2aek h THR 263 N 0.06 0.95 -0.49 1.05 2.02 -0.53 0.15 112.91 116.11 2aek h THR 263 Ca 0.19 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.30 2aek h THR 263 Cb 0.28 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 2aek h THR 263 CO -0.36 0.06 0.24 1.56 0.37 0.00 0.00 175.52 177.39 2aek h GLN 264 N 0.33 0.45 0.27 6.66 4.20 -0.90 -0.64 115.11 125.48 2aek h GLN 264 Ca 0.16 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 2aek h GLN 264 Cb 0.09 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2aek h GLN 264 CO -0.13 0.30 -0.13 -0.44 -0.67 0.00 0.00 178.83 177.75 2aek h ASP 265 N 0.46 -0.31 -0.26 1.46 3.32 -0.99 -0.46 116.42 119.63 2aek h ASP 265 Ca 0.22 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.32 2aek h ASP 265 Cb 0.15 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.72 2aek h ASP 265 CO -0.17 -0.19 -0.18 0.74 -1.72 0.00 0.00 179.24 177.72 2aek h THR 266 N -0.40 0.50 0.03 0.35 2.02 -0.65 0.34 112.91 115.11 2aek h THR 266 Ca -0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 2aek h THR 266 Cb 0.31 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2aek h THR 266 CO 0.06 0.00 -0.01 -0.07 0.37 0.00 0.00 175.52 175.87 2aek h LEU 267 N -0.16 -0.03 -0.86 2.58 3.38 -1.10 -0.80 115.31 118.32 2aek h LEU 267 Ca 0.14 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 57.94 2aek h LEU 267 Cb 0.38 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 2aek h LEU 267 CO -0.36 0.26 0.50 -0.74 0.09 0.00 0.00 178.44 178.19 2aek h HIS 268 N -0.32 0.92 -0.70 1.13 2.76 -0.85 0.11 115.15 118.19 2aek h HIS 268 Ca -0.00 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2aek h HIS 268 Cb 0.30 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.94 2aek h HIS 268 CO 0.02 0.39 0.46 1.03 -1.30 0.00 0.00 177.93 178.52 2aek h SER 269 N 0.85 0.78 0.34 3.26 0.87 -0.10 -0.99 113.55 118.56 2aek h SER 269 Ca 0.41 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.94 2aek h SER 269 Cb 0.35 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2aek h SER 269 CO -0.24 0.55 -0.16 0.28 -0.53 0.00 0.00 176.83 176.73 2aek h SER 270 N 0.92 -0.39 -0.46 6.23 0.02 0.40 -1.25 113.55 119.02 2aek h SER 270 Ca 0.27 -0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.22 2aek h SER 270 Cb -0.06 0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.49 2aek h SER 270 CO -0.08 -0.13 -0.09 0.50 -1.14 0.00 0.00 176.83 175.89 2aek h LYS 271 N -0.64 0.03 0.00 3.45 3.64 -0.58 -0.96 116.57 121.51 2aek h LYS 271 Ca -0.05 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2aek h LYS 271 Cb 0.46 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2aek h LYS 271 CO 0.08 0.02 -0.23 1.96 -2.27 0.00 0.00 179.45 179.00 2aek h GLN 272 N 0.03 0.00 -0.11 1.90 1.08 -1.14 -1.57 115.11 115.29 2aek h GLN 272 Ca 0.23 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.41 2aek h GLN 272 Cb 0.35 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2aek h GLN 272 CO -0.46 0.23 0.02 1.98 -0.95 0.00 0.00 178.83 179.66 2aek h MET 273 N 0.00 0.18 0.09 1.46 4.05 0.07 -2.01 114.93 118.76 2aek h MET 273 Ca -0.00 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2aek h MET 273 Cb 0.60 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 2aek h MET 273 CO 0.03 0.36 -0.04 0.28 0.23 0.00 0.00 176.91 177.77 2aek h VAL 274 N -0.04 1.12 -0.86 -5.77 2.07 -1.34 -2.47 116.25 108.96 2aek h VAL 274 Ca 0.03 -0.76 0.22 0.00 0.82 0.00 0.00 66.70 67.01 2aek h VAL 274 Cb 0.27 1.60 -0.15 0.00 -1.52 0.00 0.00 31.29 31.50 2aek h VAL 274 CO 0.00 0.19 0.12 0.00 0.02 0.00 0.00 177.57 177.90 2aek h ALA 275 N 0.41 1.10 0.06 1.67 0.00 -1.26 -1.44 119.26 119.79 2aek h ALA 275 Ca -0.01 0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.93 2aek h ALA 275 Cb 0.39 0.41 0.02 0.00 0.00 0.00 0.00 17.79 18.61 2aek h ALA 275 CO 0.02 -0.48 -0.91 0.28 0.00 0.00 0.00 179.25 178.16 2aek h VAL 276 N 0.13 1.37 -0.00 0.00 2.07 -1.32 -3.38 116.25 115.12 2aek h VAL 276 Ca 0.52 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.74 2aek h VAL 276 Cb 1.02 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 2aek h VAL 276 CO -0.72 0.68 -0.68 0.49 0.02 0.00 0.00 177.57 177.36 2aek n PHE 277 N -4.01 0.00 0.14 1.57 3.72 -0.94 -4.46 117.46 113.48 2aek n PHE 277 Ca -0.12 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.12 2aek n PHE 277 Cb 0.83 -0.12 -0.09 0.00 -0.94 0.00 0.00 39.48 39.16 2aek n PHE 277 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2aek h SER 278 N 0.28 -1.49 -0.03 4.37 0.02 -1.45 -2.22 113.55 113.02 2aek h SER 278 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2aek h SER 278 Cb 0.52 0.54 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2aek h SER 278 CO 0.00 -0.57 0.00 -0.90 -1.14 0.00 0.00 176.83 174.22 2aek n ASP 279 N -5.50 1.22 -3.27 3.07 5.75 -1.26 -4.87 116.55 111.70 2aek n ASP 279 Ca -0.09 -2.05 -0.09 0.00 -0.01 0.00 0.00 54.79 52.55 2aek n ASP 279 Cb 0.42 -0.49 0.02 0.00 -1.03 0.00 0.00 41.12 40.04 2aek n ASP 279 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2aek n LYS 280 N 0.02 0.91 -1.71 0.11 4.01 -0.83 -4.99 118.16 115.67 2aek n LYS 280 Ca 0.02 -1.39 -0.61 0.00 -0.51 0.00 0.00 58.31 55.81 2aek n LYS 280 Cb 0.29 -0.04 -0.08 0.00 -0.51 0.00 0.00 35.03 34.69 2aek n LYS 280 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2aek n ASP 281 N -2.52 1.74 -0.34 4.39 -0.08 -1.26 -4.75 116.55 113.73 2aek n ASP 281 Ca 0.05 1.13 0.14 0.00 -1.51 0.00 0.00 54.79 54.60 2aek n ASP 281 Cb 0.26 -1.03 0.34 0.00 2.34 0.00 0.00 41.12 43.04 2aek n ASP 281 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2aek h PRO 282 N 5.94 0.70 -0.50 -0.67 0.13 -1.92 -0.12 132.00 135.56 2aek h PRO 282 Ca -0.46 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 2aek h PRO 282 Cb 1.35 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2aek h PRO 282 CO 0.94 0.47 0.02 0.37 -0.23 0.00 0.00 178.00 179.56 2aek h GLN 283 N 0.72 0.82 0.45 0.86 4.15 -1.99 -0.35 115.11 119.79 2aek h GLN 283 Ca 0.57 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.75 2aek h GLN 283 Cb 0.94 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.54 2aek h GLN 283 CO -0.36 0.82 -0.22 0.28 -1.93 0.00 0.00 178.83 177.42 2aek h VAL 284 N 0.77 0.48 -0.77 2.39 2.07 -1.42 -1.44 116.25 118.34 2aek h VAL 284 Ca 0.15 -0.39 0.16 0.00 0.82 0.00 0.00 66.70 67.45 2aek h VAL 284 Cb 0.44 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 2aek h VAL 284 CO 0.02 0.06 0.52 -0.03 0.02 0.00 0.00 177.57 178.16 2aek h MET 285 N -0.86 0.35 0.17 1.57 1.85 -1.11 -0.53 114.93 116.36 2aek h MET 285 Ca -0.06 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.00 2aek h MET 285 Cb 0.57 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.52 2aek h MET 285 CO 0.10 0.23 -0.08 0.22 -0.40 0.00 0.00 176.91 176.99 2aek h ASP 286 N 0.36 -0.19 -0.43 1.39 3.58 -0.82 0.86 116.42 121.17 2aek h ASP 286 Ca 0.38 -0.28 0.05 0.00 0.42 0.00 0.00 57.03 57.60 2aek h ASP 286 Cb 0.96 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 42.01 2aek h ASP 286 CO -0.12 0.21 0.18 0.74 -2.88 0.00 0.00 179.24 177.37 2aek h THR 287 N -0.62 0.90 0.02 2.25 2.02 -0.42 -0.27 112.91 116.80 2aek h THR 287 Ca -0.02 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 2aek h THR 287 Cb 0.46 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2aek h THR 287 CO 0.04 0.07 -0.01 0.40 0.37 0.00 0.00 175.52 176.38 2aek h ILE 288 N 0.36 0.99 -0.71 3.11 2.04 -1.11 -0.98 117.51 121.21 2aek h ILE 288 Ca 0.20 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.02 2aek h ILE 288 Cb 0.16 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 2aek h ILE 288 CO -0.18 0.01 0.46 -0.08 0.00 0.00 0.00 178.15 178.36 2aek h GLU 289 N -0.05 0.95 -0.32 2.37 4.81 -0.48 -2.06 114.58 119.80 2aek h GLU 289 Ca -0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2aek h GLU 289 Cb 0.04 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2aek h GLU 289 CO 0.00 0.65 0.20 0.00 -0.73 0.00 0.00 179.01 179.13 2aek h PHE 291 N 0.42 0.05 -0.32 0.00 3.57 -0.77 0.61 116.94 120.50 2aek h PHE 291 Ca 0.12 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.66 2aek h PHE 291 Cb -0.00 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 2aek h PHE 291 CO -0.04 -0.01 0.15 0.52 -2.23 0.00 0.00 178.31 176.69 2aek h MET 292 N 0.13 0.30 0.12 1.11 2.86 -1.19 0.19 114.93 118.45 2aek h MET 292 Ca 0.15 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2aek h MET 292 Cb 0.18 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2aek h MET 292 CO -0.22 0.20 -0.06 0.45 1.06 0.00 0.00 176.91 178.35 2aek h HIS 293 N 0.31 -0.15 -0.50 -0.22 3.86 -0.77 -2.33 115.15 115.35 2aek h HIS 293 Ca 0.14 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.41 2aek h HIS 293 Cb 0.07 0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.53 2aek h HIS 293 CO -0.11 0.15 0.17 0.78 0.86 0.00 0.00 177.93 179.79 2aek h GLY 294 N -0.45 0.66 0.68 2.45 0.00 0.38 0.08 103.07 106.87 2aek h GLY 294 Ca -0.02 -0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.31 2aek h GLY 294 CO 0.03 0.01 0.61 -1.82 0.00 0.00 0.00 176.54 175.36 2aek h TYR 295 N 0.35 1.06 -0.14 5.60 3.20 -0.58 0.71 116.97 127.17 2aek h TYR 295 Ca 0.24 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.95 2aek h TYR 295 Cb 0.25 -0.34 0.01 0.00 1.54 0.00 0.00 36.73 38.19 2aek h TYR 295 CO -0.16 0.49 -0.65 0.28 -1.64 0.00 0.00 178.16 176.48 2aek h VAL 296 N 0.99 1.31 0.06 1.81 2.07 -0.66 -2.76 116.25 119.07 2aek h VAL 296 Ca 0.43 -1.90 0.02 0.00 0.82 0.00 0.00 66.70 66.08 2aek h VAL 296 Cb 0.35 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 2aek h VAL 296 CO -0.19 0.59 -0.18 0.74 0.02 0.00 0.00 177.57 178.54 2aek h THR 297 N 0.37 0.57 -0.44 2.57 2.02 -0.27 -1.66 112.91 116.07 2aek h THR 297 Ca -0.04 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.23 2aek h THR 297 Cb 1.29 0.57 -0.09 0.00 -1.74 0.00 0.00 68.15 68.17 2aek h THR 297 CO 0.14 0.00 -0.23 -0.25 0.37 0.00 0.00 175.52 175.55 2aek h TRP 298 N -0.33 -0.59 -0.79 3.16 7.01 -0.90 0.78 115.95 124.29 2aek h TRP 298 Ca 0.04 0.05 0.04 0.00 2.11 0.00 0.00 58.89 61.13 2aek h TRP 298 Cb 0.37 0.33 -0.05 0.00 -2.10 0.00 0.00 29.16 27.71 2aek h TRP 298 CO -0.21 -0.31 0.49 0.45 -2.79 0.00 0.00 178.44 176.08 2aek h HIS 299 N -0.14 0.92 0.00 2.65 3.86 -1.22 0.16 115.15 121.38 2aek h HIS 299 Ca 0.21 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.37 2aek h HIS 299 Cb 0.47 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 2aek h HIS 299 CO -0.48 0.50 -0.34 -0.07 0.86 0.00 0.00 177.93 178.40 2aek h LEU 300 N 0.94 0.00 0.00 2.43 3.38 -0.21 -3.33 115.31 118.51 2aek h LEU 300 Ca 0.33 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.93 2aek h LEU 300 Cb 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 2aek h LEU 300 CO -0.14 0.34 -2.40 0.00 0.09 0.00 0.00 178.44 176.34 2aek s ASP 302 N -5.75 6.92 0.45 0.00 -1.08 0.49 -4.90 116.67 112.81 2aek s ASP 302 Ca -0.16 2.22 0.14 0.00 -0.52 0.00 0.00 52.55 54.23 2aek s ASP 302 Cb 0.07 -2.58 1.07 0.00 -1.46 0.00 0.00 42.92 40.02 2aek s ASP 302 CO 0.78 -0.58 2.01 0.03 0.52 0.00 0.00 175.17 177.93 2aek h ARG 303 N 6.72 0.33 -0.86 4.34 2.47 -1.90 -2.75 114.38 122.74 2aek h ARG 303 Ca -0.42 -0.02 0.22 0.00 -1.26 0.00 0.00 59.98 58.50 2aek h ARG 303 Cb 1.21 -0.07 -0.15 0.00 -1.65 0.00 0.00 29.97 29.31 2aek h ARG 303 CO 0.84 0.22 0.07 -0.22 0.56 0.00 0.00 179.97 181.44 2aek h LYS 304 N 0.34 0.10 -0.00 0.04 3.64 -1.94 0.24 116.57 118.99 2aek h LYS 304 Ca 0.23 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2aek h LYS 304 Cb 0.47 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2aek h LYS 304 CO -0.06 0.06 -0.10 0.66 -2.27 0.00 0.00 179.45 177.75 2aek n TYR 305 N -5.36 0.00 -2.68 1.91 4.01 -1.04 -4.93 117.16 109.06 2aek n TYR 305 Ca 0.19 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.83 2aek n TYR 305 Cb 0.62 -0.27 -0.01 0.00 -0.31 0.00 0.00 39.34 39.37 2aek n TYR 305 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2aek n ARG 306 N -1.19 -2.65 0.30 -0.72 1.74 0.83 -4.38 116.66 110.59 2aek n ARG 306 Ca 0.12 0.28 0.19 0.00 -0.77 0.00 0.00 57.85 57.67 2aek n ARG 306 Cb 0.28 -4.84 0.91 0.00 -1.02 0.00 0.00 32.46 27.79 2aek n ARG 306 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2aek h LEU 307 N -0.16 0.00 -1.35 0.55 3.38 -1.82 -2.26 115.31 113.65 2aek h LEU 307 Ca -0.19 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.89 2aek h LEU 307 Cb 1.13 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.83 2aek h LEU 307 CO 0.23 0.02 0.53 0.77 0.09 0.00 0.00 178.44 180.08 2aek h SER 308 N 0.00 0.64 -0.70 -0.43 4.64 -1.88 -0.81 113.55 115.02 2aek h SER 308 Ca -0.00 0.02 0.08 0.00 -0.47 0.00 0.00 61.79 61.42 2aek h SER 308 Cb 0.28 -0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 62.20 2aek h SER 308 CO 0.00 0.37 0.37 -0.33 -0.87 0.00 0.00 176.83 176.38 2aek h GLU 309 N 0.71 0.64 -0.13 4.77 5.08 -1.78 -0.20 114.58 123.67 2aek h GLU 309 Ca 0.38 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.66 2aek h GLU 309 Cb 0.52 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2aek h GLU 309 CO -0.15 0.43 -0.14 0.82 -1.00 0.00 0.00 179.01 178.97 2aek h ILE 310 N 0.66 1.17 0.57 3.13 2.04 -1.32 -2.92 117.51 120.85 2aek h ILE 310 Ca 0.33 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 2aek h ILE 310 Cb 0.27 1.23 0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2aek h ILE 310 CO -0.22 0.24 -0.28 0.22 0.00 0.00 0.00 178.15 178.11 2aek h TYR 311 N 0.20 -0.71 0.00 1.37 3.20 -0.77 -3.04 116.97 117.21 2aek h TYR 311 Ca 0.04 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 2aek h TYR 311 Cb 0.37 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 2aek h TYR 311 CO 0.00 -0.38 0.05 -1.91 -1.64 0.00 0.00 178.16 174.28 2aek n GLU 312 N -5.33 0.80 0.00 1.82 4.07 -0.35 -0.13 120.64 121.53 2aek n GLU 312 Ca -0.11 -0.32 0.00 0.00 -0.06 0.00 0.00 57.16 56.66 2aek n GLU 312 Cb 0.34 -1.58 0.00 0.00 -0.06 0.00 0.00 31.44 30.13 2aek n GLU 312 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2aek n LYS 313 N 2.44 0.00 -0.26 5.31 4.81 -1.19 -4.81 118.16 124.45 2aek n LYS 313 Ca 0.14 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.66 2aek n LYS 313 Cb 0.37 -0.17 0.22 0.00 0.02 0.00 0.00 35.03 35.48 2aek n LYS 313 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2aek n VAL 314 N -1.74 1.02 -0.31 3.15 0.24 -0.95 -4.58 118.33 115.17 2aek n VAL 314 Ca 0.00 -1.01 0.13 0.00 -2.04 0.00 0.00 64.34 61.42 2aek n VAL 314 Cb 0.00 0.49 0.30 0.00 -1.47 0.00 0.00 33.84 33.16 2aek n VAL 314 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2aek h LYS 315 N 2.92 0.43 0.00 7.34 3.64 -0.77 -2.04 116.57 128.08 2aek h LYS 315 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2aek h LYS 315 Cb 0.85 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2aek h LYS 315 CO 0.00 0.28 -0.01 -0.85 -2.27 0.00 0.00 179.45 176.61 2aek n GLU 316 N -5.01 1.70 -2.05 1.90 0.28 -1.26 -5.02 120.64 111.18 2aek n GLU 316 Ca 0.22 -2.24 -0.33 0.00 -0.16 0.00 0.00 57.16 54.64 2aek n GLU 316 Cb 0.63 -1.34 0.01 0.00 1.43 0.00 0.00 31.44 32.18 2aek n GLU 316 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2aek s GLU 317 N -2.30 3.25 -0.14 3.44 2.12 -0.77 -4.98 118.70 119.33 2aek s GLU 317 Ca 0.23 1.29 0.18 0.00 0.36 0.00 0.00 54.97 57.02 2aek s GLU 317 Cb 0.20 -2.02 0.36 0.00 0.26 0.00 0.00 34.13 32.93 2aek s GLU 317 CO 0.02 -0.87 1.23 1.63 -0.54 0.00 0.00 175.26 176.73 2aek n LYS 318 N -1.96 1.89 -1.51 4.30 5.02 -1.26 -4.59 118.16 120.06 2aek n LYS 318 Ca 0.09 -2.62 -0.29 0.00 -2.02 0.00 0.00 58.31 53.47 2aek n LYS 318 Cb 0.52 -1.59 0.12 0.00 -0.02 0.00 0.00 35.03 34.06 2aek n LYS 318 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2aek s THR 319 N -2.77 2.47 0.02 -0.18 -4.23 -1.26 -4.90 115.64 104.79 2aek s THR 319 Ca 0.34 0.15 -0.14 0.00 -1.18 0.00 0.00 61.69 60.86 2aek s THR 319 Cb 0.29 -2.87 -0.08 0.00 1.34 0.00 0.00 72.50 71.18 2aek s THR 319 CO 0.05 -0.20 1.15 -0.08 -0.54 0.00 0.00 174.62 175.00 2aek h GLU 320 N -1.36 -0.49 -0.68 3.99 4.81 -2.00 -2.82 114.58 116.03 2aek h GLU 320 Ca -0.49 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.85 2aek h GLU 320 Cb 1.30 0.11 -0.11 0.00 0.63 0.00 0.00 28.75 30.69 2aek h GLU 320 CO 0.60 -0.33 -0.51 -0.44 -0.73 0.00 0.00 179.01 177.60 2aek h ASP 321 N -0.54 -1.78 -0.90 1.04 3.32 -1.95 -0.90 116.42 114.71 2aek h ASP 321 Ca -0.05 0.27 0.16 0.00 0.02 0.00 0.00 57.03 57.43 2aek h ASP 321 Cb 0.39 0.79 -0.16 0.00 0.22 0.00 0.00 39.33 40.57 2aek h ASP 321 CO 0.09 -0.32 -0.29 0.00 -1.72 0.00 0.00 179.24 177.00 2aek n ALA 322 N -3.19 0.06 -0.07 3.45 0.00 -1.22 -0.32 120.51 119.23 2aek n ALA 322 Ca 0.01 0.95 -0.14 0.00 0.00 0.00 0.00 53.44 54.26 2aek n ALA 322 Cb 0.33 -0.50 -0.06 0.00 0.00 0.00 0.00 19.45 19.22 2aek n ALA 322 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2aek h GLN 323 N 0.00 0.56 -0.12 0.00 4.20 -0.93 -1.59 115.11 117.23 2aek h GLN 323 Ca 0.38 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 2aek h GLN 323 Cb 0.60 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 2aek h GLN 323 CO -0.91 0.92 0.00 0.87 -0.67 0.00 0.00 178.83 179.03 2aek h LYS 324 N 0.24 0.16 0.38 1.46 1.57 -0.16 0.16 116.57 120.38 2aek h LYS 324 Ca 0.03 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2aek h LYS 324 Cb 0.84 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2aek h LYS 324 CO 0.06 0.18 -0.18 0.35 -0.57 0.00 0.00 179.45 179.29 2aek h PHE 325 N 0.16 -0.47 -0.98 -1.35 3.57 -0.55 -2.60 116.94 114.72 2aek h PHE 325 Ca 0.04 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.75 2aek h PHE 325 Cb 0.11 0.16 -0.09 0.00 2.79 0.00 0.00 35.95 38.92 2aek h PHE 325 CO 0.00 -0.29 0.63 0.00 -2.23 0.00 0.00 178.31 176.41 2aek h LYS 327 N 0.52 -0.19 -0.68 0.00 1.57 -1.00 -1.32 116.57 115.47 2aek h LYS 327 Ca 0.55 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.39 2aek h LYS 327 Cb 1.19 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.50 2aek h LYS 327 CO -0.29 -0.10 0.40 0.74 -0.57 0.00 0.00 179.45 179.63 2aek h PHE 328 N -0.22 0.75 0.24 -1.35 0.04 -0.59 -1.65 116.94 114.15 2aek h PHE 328 Ca -0.02 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 2aek h PHE 328 Cb 0.17 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 2aek h PHE 328 CO -0.06 0.39 -0.28 -0.92 -0.60 0.00 0.00 178.31 176.85 2aek h TYR 329 N 0.77 -0.77 -1.04 -0.55 5.03 -0.56 -1.72 116.97 118.13 2aek h TYR 329 Ca 0.29 0.01 0.27 0.00 2.58 0.00 0.00 58.73 61.88 2aek h TYR 329 Cb 0.11 0.30 -0.10 0.00 1.55 0.00 0.00 36.73 38.60 2aek h TYR 329 CO -0.06 -0.36 0.67 0.93 -1.32 0.00 0.00 178.16 178.02 2aek h GLU 330 N -0.52 0.39 0.21 1.82 5.08 -1.11 0.24 114.58 120.69 2aek h GLU 330 Ca -0.03 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2aek h GLU 330 Cb 0.46 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2aek h GLU 330 CO -0.05 0.26 -0.31 1.96 -1.00 0.00 0.00 179.01 179.87 2aek h GLN 331 N 0.40 -0.57 0.29 2.33 4.20 -0.62 -1.99 115.11 119.15 2aek h GLN 331 Ca 0.60 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.35 2aek h GLN 331 Cb 1.50 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 29.37 2aek h GLN 331 CO -0.31 -0.38 -0.49 0.00 -0.67 0.00 0.00 178.83 176.98 2aek h ALA 332 N 0.02 -0.99 -0.95 3.87 0.00 0.28 -2.72 119.26 118.76 2aek h ALA 332 Ca 0.01 -0.14 0.27 0.00 0.00 0.00 0.00 54.91 55.05 2aek h ALA 332 Cb 0.57 0.77 -0.17 0.00 0.00 0.00 0.00 17.79 18.97 2aek h ALA 332 CO -0.12 -1.11 0.12 0.00 0.00 0.00 0.00 179.25 178.14 2aek h ALA 333 N -0.58 1.28 -0.77 0.00 0.00 -0.96 1.47 119.26 119.70 2aek h ALA 333 Ca -0.02 0.30 0.18 0.00 0.00 0.00 0.00 54.91 55.37 2aek h ALA 333 Cb 0.79 0.50 -0.13 0.00 0.00 0.00 0.00 17.79 18.95 2aek h ALA 333 CO -0.18 -0.58 0.10 -0.91 0.00 0.00 0.00 179.25 177.68 2aek h ASN 334 N 0.05 -0.17 0.00 0.00 2.35 -1.03 0.14 115.58 116.92 2aek h ASN 334 Ca 0.61 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 56.54 2aek h ASN 334 Cb 1.29 0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.95 2aek h ASN 334 CO -0.84 -0.14 -0.89 1.33 -1.65 0.00 0.00 177.43 175.24 2aek n VAL 335 N -5.27 0.00 -0.10 2.81 0.24 -0.38 -4.74 118.33 110.90 2aek n VAL 335 Ca 0.15 -0.22 -0.17 0.00 -2.04 0.00 0.00 64.34 62.07 2aek n VAL 335 Cb 0.51 0.79 -0.08 0.00 -1.47 0.00 0.00 33.84 33.59 2aek n VAL 335 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aek n GLY 336 N 1.42 -0.84 3.62 7.63 0.00 0.49 -4.76 105.19 112.75 2aek n GLY 336 Ca 0.01 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2aek n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aek s ALA 337 N -2.51 2.94 -0.09 4.61 0.00 0.41 -4.95 121.76 122.16 2aek s ALA 337 Ca -0.25 0.93 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 2aek s ALA 337 Cb 0.05 -4.02 0.05 0.00 0.00 0.00 0.00 23.12 19.20 2aek s ALA 337 CO 0.46 -2.49 0.17 0.08 0.00 0.00 0.00 175.76 173.97 2aek s VAL 338 N 7.36 -0.27 0.10 0.00 1.01 -1.26 -4.91 120.40 122.43 2aek s VAL 338 Ca 0.98 0.32 -0.32 0.00 0.00 0.00 0.00 61.98 62.96 2aek s VAL 338 Cb -0.36 -0.33 -0.11 0.00 0.00 0.00 0.00 36.38 35.58 2aek s VAL 338 CO 0.37 0.12 1.80 -0.24 0.00 0.00 0.00 175.10 177.15 2aek n SER 339 N 5.32 3.83 -0.35 3.32 2.88 -1.26 -4.84 113.62 122.53 2aek n SER 339 Ca -0.05 1.00 0.23 0.00 -1.33 0.00 0.00 58.87 58.73 2aek n SER 339 Cb 0.50 -1.51 0.49 0.00 -0.75 0.00 0.00 64.21 62.94 2aek n SER 339 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2aek h PRO 340 N 8.21 0.39 0.00 -1.46 0.11 -2.00 0.10 132.00 137.36 2aek h PRO 340 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2aek h PRO 340 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2aek h PRO 340 CO 0.94 0.26 0.35 0.66 -0.21 0.00 0.00 178.00 180.00 2aek h SER 341 N 0.40 0.00 1.52 -2.05 4.64 -1.88 0.30 113.55 116.48 2aek h SER 341 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 2aek h SER 341 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 2aek h SER 341 CO -0.40 0.00 -0.28 -0.33 -0.87 0.00 0.00 176.83 174.95 2aek h GLU 342 N 0.00 0.00 0.00 4.77 5.08 -1.15 -3.43 114.58 119.85 2aek h GLU 342 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2aek h GLU 342 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2aek h GLU 342 CO 0.00 0.00 -0.01 -2.67 -1.00 0.00 0.00 179.01 175.33 2aek n TRP 343 N -2.68 0.00 -2.59 4.33 4.27 0.73 -4.90 117.44 116.60 2aek n TRP 343 Ca 0.03 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.22 2aek n TRP 343 Cb 0.50 0.07 -0.01 0.00 -1.36 0.00 0.00 31.31 30.51 2aek n TRP 343 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2aek s ALA 344 N -1.16 3.21 -0.09 -1.67 0.00 0.59 -4.48 121.76 118.16 2aek s ALA 344 Ca 0.00 -2.79 -0.31 0.00 0.00 0.00 0.00 51.96 48.87 2aek s ALA 344 Cb 0.00 -4.60 0.09 0.00 0.00 0.00 0.00 23.12 18.61 2aek s ALA 344 CO 0.00 -3.35 0.80 1.52 0.00 0.00 0.00 175.76 174.73 2aek s TYR 345 N 4.29 -0.55 0.91 0.00 -0.85 -1.26 -4.65 117.35 115.24 2aek s TYR 345 Ca 0.52 0.93 -0.15 0.00 -0.52 0.00 0.00 57.07 57.85 2aek s TYR 345 Cb 0.03 0.43 0.16 0.00 0.38 0.00 0.00 41.96 42.95 2aek s TYR 345 CO 0.04 -0.51 1.27 -1.25 -1.52 0.00 0.00 175.55 173.57 2aek s PRO 346 N -1.18 1.06 0.57 -3.49 0.04 -1.26 -4.84 135.00 125.90 2aek s PRO 346 Ca -0.07 -0.21 -0.19 0.00 0.04 0.00 0.00 61.00 60.57 2aek s PRO 346 Cb -0.00 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2aek s PRO 346 CO 0.07 -2.16 1.17 -1.25 0.04 0.00 0.00 177.00 174.87 2aek s PRO 347 N -5.76 3.17 0.33 0.56 0.04 -1.26 -4.88 135.00 127.20 2aek s PRO 347 Ca 0.70 1.73 0.08 0.00 0.04 0.00 0.00 61.00 63.54 2aek s PRO 347 Cb -0.07 -1.97 0.78 0.00 0.04 0.00 0.00 34.50 33.29 2aek s PRO 347 CO 0.52 -1.03 1.83 0.28 0.04 0.00 0.00 177.00 178.64 2aek h VAL 348 N 1.05 0.79 0.02 -0.36 2.07 -1.95 -1.75 116.25 116.12 2aek h VAL 348 Ca -0.50 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2aek h VAL 348 Cb 1.28 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2aek h VAL 348 CO 0.56 0.13 -0.01 0.00 0.02 0.00 0.00 177.57 178.28 2aek h ALA 349 N 1.60 -0.02 -0.71 1.67 0.00 -1.92 -0.28 119.26 119.61 2aek h ALA 349 Ca 0.50 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.52 2aek h ALA 349 Cb 0.80 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 2aek h ALA 349 CO -0.26 -0.50 0.27 0.37 0.00 0.00 0.00 179.25 179.12 2aek h GLN 350 N -0.05 0.41 -0.32 0.00 4.15 -1.69 0.18 115.11 117.79 2aek h GLN 350 Ca -0.00 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.30 2aek h GLN 350 Cb 0.04 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2aek h GLN 350 CO 0.00 0.27 -0.19 -0.07 -1.93 0.00 0.00 178.83 176.92 2aek h LEU 351 N 0.42 0.58 -0.86 -2.39 3.38 -1.20 -2.56 115.31 112.68 2aek h LEU 351 Ca 0.38 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 2aek h LEU 351 Cb 0.55 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2aek h LEU 351 CO -0.38 0.78 -0.26 0.00 0.09 0.00 0.00 178.44 178.66 2aek h ALA 352 N 1.27 1.03 -0.12 1.53 0.00 0.92 -3.11 119.26 120.79 2aek h ALA 352 Ca 0.08 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 2aek h ALA 352 Cb 0.62 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2aek h ALA 352 CO 0.04 0.58 -0.71 -0.97 0.00 0.00 0.00 179.25 178.20 2aek h ASN 353 N 0.47 0.61 0.00 0.00 -0.00 -0.53 -3.47 115.58 112.66 2aek h ASN 353 Ca 0.07 -0.39 0.00 0.00 -0.00 0.00 0.00 56.30 55.98 2aek h ASN 353 Cb 0.71 -0.18 0.00 0.00 -0.00 0.00 0.00 38.32 38.85 2aek h ASN 353 CO 0.05 1.14 0.00 0.52 -0.00 0.00 0.00 177.43 179.14