#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mea s VAL 2 N 0.00 5.15 0.60 0.58 1.01 -1.26 -0.99 120.40 125.49 2mea s VAL 2 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 2mea s VAL 2 Cb 0.00 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2mea s VAL 2 CO 0.00 -0.09 1.07 -0.36 0.00 0.00 0.00 175.10 175.72 2mea s PHE 3 N 1.69 2.88 0.28 5.22 0.40 -0.47 -4.99 117.98 122.99 2mea s PHE 3 Ca 0.05 1.53 -0.14 0.00 -0.60 0.00 0.00 56.93 57.77 2mea s PHE 3 Cb -0.18 -3.07 -0.08 0.00 0.51 0.00 0.00 43.02 40.20 2mea s PHE 3 CO 0.10 -1.26 0.67 -2.00 0.70 0.00 0.00 175.22 173.43 2mea s GLU 4 N -3.99 3.96 0.04 0.44 -6.30 -1.26 -4.87 118.70 106.71 2mea s GLU 4 Ca 0.65 0.55 -0.08 0.00 -2.50 0.00 0.00 54.97 53.59 2mea s GLU 4 Cb -0.18 -2.55 -0.02 0.00 0.00 0.00 0.00 34.13 31.38 2mea s GLU 4 CO 0.36 0.23 1.14 -0.09 0.02 0.00 0.00 175.26 176.93 2mea h ARG 5 N 2.47 -0.07 0.00 4.30 2.43 -1.97 -1.67 114.38 119.87 2mea h ARG 5 Ca -0.48 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 2mea h ARG 5 Cb 1.17 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2mea h ARG 5 CO 0.67 -0.05 -0.15 0.00 -1.51 0.00 0.00 179.97 178.93 2mea h GLU 7 N 0.00 0.69 -0.44 0.00 4.81 -1.81 -1.63 114.58 116.20 2mea h GLU 7 Ca -0.00 -0.19 -0.13 0.00 -0.13 0.00 0.00 59.36 58.91 2mea h GLU 7 Cb 0.37 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2mea h GLU 7 CO 0.02 0.73 -0.23 1.25 -0.73 0.00 0.00 179.01 180.06 2mea h LEU 8 N 0.54 0.92 -0.46 1.64 5.85 -0.99 -2.60 115.31 120.21 2mea h LEU 8 Ca 0.13 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.52 2mea h LEU 8 Cb 0.38 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2mea h LEU 8 CO 0.01 1.11 0.27 0.00 -0.34 0.00 0.00 178.44 179.49 2mea h ALA 9 N 0.96 0.59 -0.71 1.25 0.00 -1.21 0.45 119.26 120.58 2mea h ALA 9 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2mea h ALA 9 Cb 0.78 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2mea h ALA 9 CO 0.06 -0.04 0.22 0.00 0.00 0.00 0.00 179.25 179.50 2mea h ARG 10 N 0.55 1.11 -0.07 0.00 3.08 -1.24 -1.69 114.38 116.13 2mea h ARG 10 Ca 0.19 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2mea h ARG 10 Cb 0.02 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 2mea h ARG 10 CO -0.09 0.95 0.02 1.15 -1.07 0.00 0.00 179.97 180.93 2mea h THR 11 N 1.05 1.17 -0.71 2.04 2.02 -1.03 -1.30 112.91 116.14 2mea h THR 11 Ca 0.23 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2mea h THR 11 Cb 0.30 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 2mea h THR 11 CO -0.01 0.14 0.44 -0.07 0.37 0.00 0.00 175.52 176.39 2mea h LEU 12 N -0.08 0.83 -0.73 2.58 3.38 -0.81 -0.19 115.31 120.28 2mea h LEU 12 Ca 0.02 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2mea h LEU 12 Cb 0.21 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2mea h LEU 12 CO -0.00 0.63 -0.20 0.50 0.09 0.00 0.00 178.44 179.46 2mea h LYS 13 N 0.97 0.76 -0.23 1.13 3.64 -1.17 -1.67 116.57 119.99 2mea h LYS 13 Ca 0.26 -0.29 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 2mea h LYS 13 Cb -0.06 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2mea h LYS 13 CO -0.05 0.90 -0.27 0.00 -2.27 0.00 0.00 179.45 177.76 2mea h ARG 14 N 0.66 0.44 -0.77 1.90 3.08 -0.22 -2.75 114.38 116.72 2mea h ARG 14 Ca 0.10 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2mea h ARG 14 Cb 0.70 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2mea h ARG 14 CO 0.05 0.68 0.00 1.28 -1.07 0.00 0.00 179.97 180.91 2mea n LEU 15 N -4.11 1.80 -2.54 3.04 4.77 -0.18 -4.89 117.00 114.89 2mea n LEU 15 Ca -0.01 -0.91 -0.19 0.00 -0.03 0.00 0.00 56.01 54.87 2mea n LEU 15 Cb 0.41 -0.46 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2mea n LEU 15 CO 0.42 0.31 -0.04 0.61 -1.33 0.00 0.00 177.39 177.36 2mea n GLY 16 N 0.25 -0.36 0.12 -0.72 0.00 -1.04 -4.92 105.19 98.52 2mea n GLY 16 Ca 0.06 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.12 2mea n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2mea h MET 17 N -1.02 0.00 -6.18 1.61 2.86 -1.52 -3.41 114.93 107.27 2mea h MET 17 Ca -0.45 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.62 2mea h MET 17 Cb 1.32 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 2mea h MET 17 CO 0.49 0.16 1.32 0.34 1.06 0.00 0.00 176.91 180.28 2mea s ASP 18 N -5.69 5.71 0.00 1.22 2.15 -1.26 -1.91 116.67 116.89 2mea s ASP 18 Ca -0.01 1.19 0.00 0.00 0.43 0.00 0.00 52.55 54.16 2mea s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2mea s ASP 18 CO 0.79 -1.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.52 2mea n GLY 19 N 5.51 0.76 3.67 2.66 0.00 0.80 -4.87 105.19 113.72 2mea n GLY 19 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2mea n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2mea s TYR 20 N -2.92 1.68 -1.98 1.61 5.04 -0.80 -0.75 117.35 119.23 2mea s TYR 20 Ca 0.00 -0.24 0.00 0.00 -2.44 0.00 0.00 57.07 54.39 2mea s TYR 20 Cb 0.00 -4.20 0.00 0.00 0.35 0.00 0.00 41.96 38.11 2mea s TYR 20 CO 0.00 -5.18 0.00 0.54 -1.34 0.00 0.00 175.55 169.57 2mea n ARG 21 N 6.74 -1.53 -0.75 4.97 5.12 -1.26 -1.28 116.66 128.67 2mea n ARG 21 Ca 0.19 1.11 0.00 0.00 -1.93 0.00 0.00 57.85 57.22 2mea n ARG 21 Cb 0.40 -5.56 0.00 0.00 -1.16 0.00 0.00 32.46 26.14 2mea n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2mea n GLY 22 N -0.56 0.81 3.64 -0.13 0.00 0.07 -5.03 105.19 103.99 2mea n GLY 22 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2mea n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2mea s ILE 23 N -3.08 5.09 0.71 -0.61 1.01 -0.40 -4.88 121.20 119.04 2mea s ILE 23 Ca 0.00 0.90 -0.11 0.00 0.00 0.00 0.00 60.65 61.44 2mea s ILE 23 Cb 0.00 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.66 2mea s ILE 23 CO 0.00 0.13 1.07 -0.94 0.00 0.00 0.00 174.94 175.20 2mea s SER 24 N 1.38 5.11 0.24 3.58 1.04 -1.26 -0.14 113.70 123.64 2mea s SER 24 Ca 0.22 1.72 -0.05 0.00 0.48 0.00 0.00 55.95 58.33 2mea s SER 24 Cb -0.15 -2.51 0.36 0.00 0.10 0.00 0.00 66.02 63.82 2mea s SER 24 CO 0.09 -1.63 1.84 0.25 0.98 0.00 0.00 173.24 174.77 2mea h LEU 25 N -0.72 0.79 -1.79 2.42 5.85 -1.90 -1.29 115.31 118.69 2mea h LEU 25 Ca -0.44 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.33 2mea h LEU 25 Cb 1.22 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2mea h LEU 25 CO 0.55 0.49 0.19 0.00 -0.34 0.00 0.00 178.44 179.33 2mea h ALA 26 N 1.43 1.92 -0.01 1.25 0.00 -1.92 0.58 119.26 122.51 2mea h ALA 26 Ca 0.39 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.12 2mea h ALA 26 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2mea h ALA 26 CO -0.20 0.04 -0.76 -0.91 0.00 0.00 0.00 179.25 177.42 2mea h ASN 27 N 0.28 0.12 -0.17 0.00 2.35 -1.56 -0.48 115.58 116.13 2mea h ASN 27 Ca 0.12 -0.09 -0.20 0.00 -0.55 0.00 0.00 56.30 55.57 2mea h ASN 27 Cb 0.13 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2mea h ASN 27 CO -0.02 0.84 -0.67 -0.50 -1.65 0.00 0.00 177.43 175.42 2mea h TRP 28 N 0.06 1.03 -0.54 1.19 4.06 -0.70 -2.47 115.95 118.59 2mea h TRP 28 Ca -0.02 -0.42 -0.12 0.00 2.06 0.00 0.00 58.89 60.40 2mea h TRP 28 Cb 1.34 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 29.31 2mea h TRP 28 CO 0.01 1.24 -0.13 0.52 -3.56 0.00 0.00 178.44 176.52 2mea h MET 29 N 0.57 1.04 -0.56 0.49 2.86 -0.87 -1.76 114.93 116.70 2mea h MET 29 Ca -0.02 -0.40 -0.07 0.00 -2.06 0.00 0.00 59.70 57.15 2mea h MET 29 Cb 1.29 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 2mea h MET 29 CO 0.14 1.09 0.05 0.00 1.06 0.00 0.00 176.91 179.25 2mea h LEU 31 N 0.87 -0.12 -0.90 0.00 5.85 -1.22 -2.75 115.31 117.04 2mea h LEU 31 Ca 0.17 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2mea h LEU 31 Cb 0.44 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 2mea h LEU 31 CO 0.02 0.08 0.56 0.00 -0.34 0.00 0.00 178.44 178.76 2mea h ALA 32 N 0.56 1.27 0.34 1.25 0.00 -1.21 -0.51 119.26 120.96 2mea h ALA 32 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2mea h ALA 32 Cb 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2mea h ALA 32 CO 0.02 0.29 -0.18 -0.22 0.00 0.00 0.00 179.25 179.16 2mea h LYS 33 N 1.00 -0.47 0.00 0.00 3.11 -1.28 -1.25 116.57 117.68 2mea h LYS 33 Ca 0.40 0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 58.19 2mea h LYS 33 Cb 0.23 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.55 2mea h LYS 33 CO -0.19 -0.31 -0.41 -1.49 -2.81 0.00 0.00 179.45 174.23 2mea h TRP 34 N -0.49 0.00 0.01 1.91 4.06 -1.34 -1.02 115.95 119.08 2mea h TRP 34 Ca -0.04 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.86 2mea h TRP 34 Cb 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 2mea h TRP 34 CO -0.07 0.41 -0.18 0.93 -3.56 0.00 0.00 178.44 175.97 2mea h GLU 35 N 0.00 0.11 0.00 0.49 4.39 -1.02 -3.43 114.58 115.11 2mea h GLU 35 Ca -0.00 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2mea h GLU 35 Cb 1.06 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2mea h GLU 35 CO 0.05 0.92 0.00 -1.13 -1.16 0.00 0.00 179.01 177.70 2mea n SER 36 N -4.55 0.02 -0.57 1.42 3.41 -0.54 -4.88 113.62 107.94 2mea n SER 36 Ca -0.10 -0.47 -0.05 0.00 -0.26 0.00 0.00 58.87 57.99 2mea n SER 36 Cb 0.49 0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2mea n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2mea n GLY 37 N 0.03 0.22 2.26 5.00 0.00 -0.39 -3.20 105.19 109.12 2mea n GLY 37 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 2mea n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2mea n TYR 38 N -3.88 -0.13 -3.42 1.61 4.01 -1.15 -4.78 117.16 109.41 2mea n TYR 38 Ca -0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.27 2mea n TYR 38 Cb 0.51 -2.06 -0.10 0.00 -0.31 0.00 0.00 39.34 37.39 2mea n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2mea s ASN 39 N -2.80 6.16 0.57 7.72 2.47 -1.19 -1.37 114.94 126.49 2mea s ASN 39 Ca 0.00 -0.33 0.37 0.00 0.42 0.00 0.00 52.86 53.32 2mea s ASN 39 Cb 0.00 -2.19 1.82 0.00 -1.45 0.00 0.00 41.25 39.43 2mea s ASN 39 CO 0.00 -0.35 2.12 0.71 -3.72 0.00 0.00 177.10 175.87 2mea h THR 40 N 5.55 0.00 -0.34 -5.21 1.35 -1.39 -2.82 112.91 110.04 2mea h THR 40 Ca -0.30 -0.22 -0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2mea h THR 40 Cb 1.14 1.16 -0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2mea h THR 40 CO 0.69 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.85 2mea n ARG 41 N -2.96 3.45 -2.11 4.72 -4.01 -1.26 -3.96 116.66 110.53 2mea n ARG 41 Ca -0.01 -2.93 -0.41 0.00 -1.04 0.00 0.00 57.85 53.46 2mea n ARG 41 Cb 0.17 -1.96 -0.02 0.00 -3.04 0.00 0.00 32.46 27.61 2mea n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2mea s ALA 42 N -2.82 3.52 0.02 2.89 0.00 -1.08 -4.78 121.76 119.51 2mea s ALA 42 Ca 0.46 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.69 2mea s ALA 42 Cb 0.36 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 2mea s ALA 42 CO 0.11 -0.65 -0.06 0.95 0.00 0.00 0.00 175.76 176.11 2mea s THR 43 N -0.90 0.43 -0.20 0.00 -4.23 -1.26 -1.00 115.64 108.48 2mea s THR 43 Ca 0.51 -0.70 -0.04 0.00 -1.18 0.00 0.00 61.69 60.27 2mea s THR 43 Cb -0.40 -0.45 0.08 0.00 1.34 0.00 0.00 72.50 73.07 2mea s THR 43 CO 0.51 -0.19 0.14 0.21 -0.54 0.00 0.00 174.62 174.74 2mea s ASN 44 N -0.96 2.23 -0.10 3.99 2.47 -0.48 -4.95 114.94 117.14 2mea s ASN 44 Ca -0.06 -0.61 -0.22 0.00 0.42 0.00 0.00 52.86 52.39 2mea s ASN 44 Cb -0.07 -0.07 -0.03 0.00 -1.45 0.00 0.00 41.25 39.63 2mea s ASN 44 CO 0.00 -0.36 0.67 -0.47 -3.72 0.00 0.00 177.10 173.22 2mea s TYR 45 N 2.19 3.53 -0.47 0.43 5.04 -1.26 -0.85 117.35 125.95 2mea s TYR 45 Ca 0.04 1.15 -0.09 0.00 -2.44 0.00 0.00 57.07 55.73 2mea s TYR 45 Cb -0.16 -2.78 0.12 0.00 0.35 0.00 0.00 41.96 39.49 2mea s TYR 45 CO -0.15 0.04 0.34 -0.80 -1.34 0.00 0.00 175.55 173.64 2mea s ASN 46 N 0.86 5.71 0.57 4.32 0.01 0.29 -4.96 114.94 121.74 2mea s ASN 46 Ca 0.35 -1.88 0.26 0.00 -0.71 0.00 0.00 52.86 50.88 2mea s ASN 46 Cb -0.17 -2.01 1.63 0.00 0.41 0.00 0.00 41.25 41.11 2mea s ASN 46 CO 0.15 -0.69 2.17 0.00 -1.51 0.00 0.00 177.10 177.23 2mea h ALA 47 N 8.45 1.78 -0.79 0.60 0.00 -1.95 0.87 119.26 128.21 2mea h ALA 47 Ca -0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2mea h ALA 47 Cb 1.07 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2mea h ALA 47 CO 0.86 -0.14 0.48 0.78 0.00 0.00 0.00 179.25 181.22 2mea h GLY 48 N 0.00 1.15 -0.01 0.00 0.00 -1.94 -3.26 103.07 99.00 2mea h GLY 48 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2mea h GLY 48 CO -0.00 0.46 -0.01 2.09 0.00 0.00 0.00 176.54 179.09 2mea n ASP 49 N -4.47 1.78 -2.47 0.19 5.75 -1.06 -4.99 116.55 111.27 2mea n ASP 49 Ca 0.08 -1.99 -0.16 0.00 -0.01 0.00 0.00 54.79 52.70 2mea n ASP 49 Cb 0.06 -0.05 -0.01 0.00 -1.03 0.00 0.00 41.12 40.10 2mea n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2mea n ARG 50 N -0.53 -2.13 -3.99 0.11 1.74 0.27 -4.64 116.66 107.49 2mea n ARG 50 Ca 0.02 0.77 -0.22 0.00 -0.77 0.00 0.00 57.85 57.65 2mea n ARG 50 Cb 0.32 -5.40 -0.04 0.00 -1.02 0.00 0.00 32.46 26.32 2mea n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2mea s SER 51 N -2.08 5.43 0.01 0.55 1.04 -1.14 -4.41 113.70 113.10 2mea s SER 51 Ca 0.02 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.13 2mea s SER 51 Cb -0.01 -1.23 -0.01 0.00 0.10 0.00 0.00 66.02 64.87 2mea s SER 51 CO 0.02 -0.17 -0.08 -0.89 0.98 0.00 0.00 173.24 173.11 2mea s THR 52 N -2.20 0.61 -0.14 2.02 2.01 -1.26 -0.54 115.64 116.13 2mea s THR 52 Ca 0.36 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.75 2mea s THR 52 Cb -0.07 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 2mea s THR 52 CO 0.26 0.02 0.12 -1.81 -0.69 0.00 0.00 174.62 172.52 2mea s ASP 53 N -0.58 6.23 0.11 3.53 1.01 -0.03 -0.45 116.67 126.48 2mea s ASP 53 Ca -0.00 0.38 0.10 0.00 0.71 0.00 0.00 52.55 53.74 2mea s ASP 53 Cb -0.05 -2.02 -0.04 0.00 1.01 0.00 0.00 42.92 41.83 2mea s ASP 53 CO 0.00 0.35 -0.25 -0.31 0.21 0.00 0.00 175.17 175.17 2mea s TYR 54 N -0.69 2.15 0.04 4.23 1.51 -0.28 -1.38 117.35 122.93 2mea s TYR 54 Ca 0.13 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 2mea s TYR 54 Cb -0.12 -1.19 0.00 0.00 -0.11 0.00 0.00 41.96 40.54 2mea s TYR 54 CO 0.03 0.26 0.00 0.41 -1.11 0.00 0.00 175.55 175.13 2mea n GLY 55 N 1.14 -1.79 0.22 0.71 0.00 -0.17 -1.24 105.19 104.06 2mea n GLY 55 Ca -0.18 -1.30 0.15 0.00 0.00 0.00 0.00 46.02 44.69 2mea n GLY 55 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2mea h PHE 56 N -0.15 0.00 -0.02 1.61 -0.00 -1.67 -2.31 116.94 114.40 2mea h PHE 56 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2mea h PHE 56 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.10 2mea h PHE 56 CO 0.00 0.00 -0.28 1.19 -0.00 0.00 0.00 178.31 179.22 2mea n PHE 57 N -2.77 0.00 -3.61 6.09 3.72 -1.26 -3.88 117.46 115.76 2mea n PHE 57 Ca 0.01 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.14 2mea n PHE 57 Cb 0.28 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.86 2mea n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2mea n GLN 58 N 0.34 -1.31 -2.82 -1.08 1.13 -0.87 -4.94 117.38 107.83 2mea n GLN 58 Ca 0.09 0.59 -0.42 0.00 -1.94 0.00 0.00 57.00 55.32 2mea n GLN 58 Cb 0.45 -4.24 -0.03 0.00 0.11 0.00 0.00 30.24 26.53 2mea n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2mea s ILE 59 N -3.39 4.83 0.25 5.09 1.01 -0.37 -4.52 121.20 124.10 2mea s ILE 59 Ca 0.41 1.77 -0.30 0.00 0.00 0.00 0.00 60.65 62.53 2mea s ILE 59 Cb -0.14 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 38.05 2mea s ILE 59 CO 0.85 -0.01 1.18 0.21 0.00 0.00 0.00 174.94 177.16 2mea s ASN 60 N 1.16 7.10 0.44 3.58 3.84 -1.26 -1.12 114.94 128.68 2mea s ASN 60 Ca 0.41 2.33 0.29 0.00 0.21 0.00 0.00 52.86 56.11 2mea s ASN 60 Cb -0.17 -2.62 1.10 0.00 -0.55 0.00 0.00 41.25 39.01 2mea s ASN 60 CO 0.12 -0.31 1.85 0.77 -2.79 0.00 0.00 177.10 176.74 2mea h SER 61 N 4.36 0.00 1.22 -4.21 4.64 -1.01 -2.43 113.55 116.12 2mea h SER 61 Ca -0.46 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.78 2mea h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2mea h SER 61 CO 0.70 0.00 -0.35 -0.09 -0.87 0.00 0.00 176.83 176.22 2mea h ARG 62 N 0.00 0.00 0.00 4.77 2.43 -1.83 -3.39 114.38 116.36 2mea h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2mea h ARG 62 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2mea h ARG 62 CO 0.00 0.35 -0.86 0.66 -1.51 0.00 0.00 179.97 178.61 2mea n TYR 63 N -3.32 0.00 -0.09 2.20 4.01 -1.17 -1.21 117.16 117.58 2mea n TYR 63 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.66 2mea n TYR 63 Cb 0.58 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.47 2mea n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2mea n TRP 64 N -2.27 0.00 -4.26 -0.72 7.02 -0.92 -1.14 117.44 115.15 2mea n TRP 64 Ca 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.34 2mea n TRP 64 Cb 0.43 -0.91 -0.10 0.00 -2.42 0.00 0.00 31.31 28.31 2mea n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2mea s ASN 66 N -3.21 4.87 0.00 0.00 2.47 0.03 -4.52 114.94 114.57 2mea s ASN 66 Ca 0.30 -0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.40 2mea s ASN 66 Cb 0.07 -1.83 0.00 0.00 -1.45 0.00 0.00 41.25 38.04 2mea s ASN 66 CO 0.08 0.08 0.37 -0.90 -3.72 0.00 0.00 177.10 173.01 2mea n ASP 67 N 4.12 0.73 0.00 -4.21 5.75 -1.26 -0.12 116.55 121.56 2mea n ASP 67 Ca -0.17 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 2mea n ASP 67 Cb 0.52 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 2mea n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2mea n GLY 68 N 0.12 0.25 0.00 6.12 0.00 -1.26 -4.79 105.19 105.63 2mea n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2mea n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2mea n LYS 69 N -0.95 1.61 -4.44 1.61 5.02 -1.26 -5.03 118.16 114.71 2mea n LYS 69 Ca 0.00 -1.10 -0.34 0.00 -2.02 0.00 0.00 58.31 54.85 2mea n LYS 69 Cb 0.22 -0.94 -0.14 0.00 -0.02 0.00 0.00 35.03 34.16 2mea n LYS 69 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2mea s THR 70 N -0.62 3.31 0.28 -0.18 2.01 -1.26 -4.89 115.64 114.29 2mea s THR 70 Ca 0.00 -0.55 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 2mea s THR 70 Cb 0.00 -2.44 -0.10 0.00 0.01 0.00 0.00 72.50 69.97 2mea s THR 70 CO 0.00 0.49 1.36 -2.84 -0.69 0.00 0.00 174.62 172.94 2mea s PRO 71 N 0.67 4.32 -1.52 4.92 0.02 -1.26 -3.39 135.00 138.76 2mea s PRO 71 Ca -0.05 2.23 -0.06 0.00 0.02 0.00 0.00 61.00 63.15 2mea s PRO 71 Cb -0.15 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.29 2mea s PRO 71 CO 0.02 -0.29 0.63 0.41 -0.33 0.00 0.00 177.00 177.44 2mea n GLY 72 N 1.53 -0.52 3.76 0.52 0.00 -1.26 -4.94 105.19 104.27 2mea n GLY 72 Ca 0.03 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2mea n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mea s ALA 73 N -3.16 3.36 0.06 4.61 0.00 -1.22 -4.93 121.76 120.49 2mea s ALA 73 Ca 0.34 0.54 0.09 0.00 0.00 0.00 0.00 51.96 52.93 2mea s ALA 73 Cb -0.15 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2mea s ALA 73 CO 0.42 0.22 -0.24 0.14 0.00 0.00 0.00 175.76 176.30 2mea s VAL 74 N -1.09 2.39 -0.72 0.00 -7.23 -0.35 -5.00 120.40 108.40 2mea s VAL 74 Ca 0.40 -1.39 0.04 0.00 -1.81 0.00 0.00 61.98 59.22 2mea s VAL 74 Cb -0.25 -1.98 0.26 0.00 0.56 0.00 0.00 36.38 34.97 2mea s VAL 74 CO 0.30 0.30 0.88 -3.20 -0.31 0.00 0.00 175.10 173.08 2mea n ASN 75 N 1.52 4.26 0.11 4.85 5.15 -1.25 -3.45 115.26 126.46 2mea n ASN 75 Ca -0.17 -3.45 0.10 0.00 -0.60 0.00 0.00 54.58 50.47 2mea n ASN 75 Cb 0.52 -0.78 0.59 0.00 -0.53 0.00 0.00 39.78 39.59 2mea n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2mea h ALA 76 N 4.38 2.06 -0.00 5.20 0.00 -1.20 -0.67 119.26 129.03 2mea h ALA 76 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2mea h ALA 76 Cb 0.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2mea h ALA 76 CO 0.93 -0.11 -0.24 0.00 0.00 0.00 0.00 179.25 179.82 2mea n HIS 78 N -1.48 -2.03 -3.83 0.00 -0.00 -0.26 -4.99 115.22 102.63 2mea n HIS 78 Ca 0.07 0.72 -0.12 0.00 -0.00 0.00 0.00 57.72 58.38 2mea n HIS 78 Cb 0.34 -4.03 -0.09 0.00 -0.00 0.00 0.00 29.99 26.21 2mea n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2mea s LEU 79 N -6.33 1.29 0.19 2.41 1.43 -1.26 -5.08 118.68 111.33 2mea s LEU 79 Ca 0.26 -0.10 -0.22 0.00 -1.03 0.00 0.00 54.13 53.04 2mea s LEU 79 Cb -0.07 0.90 -0.08 0.00 0.03 0.00 0.00 46.19 46.97 2mea s LEU 79 CO 0.81 -0.40 0.73 -0.94 0.23 0.00 0.00 176.35 176.78 2mea s SER 80 N -1.38 7.18 0.60 2.29 1.04 -1.26 -0.79 113.70 121.37 2mea s SER 80 Ca -0.14 1.49 0.30 0.00 0.48 0.00 0.00 55.95 58.07 2mea s SER 80 Cb -0.07 -2.44 1.71 0.00 0.10 0.00 0.00 66.02 65.32 2mea s SER 80 CO 0.03 0.12 2.13 0.00 0.98 0.00 0.00 173.24 176.49 2mea h SER 82 N 0.00 0.00 0.67 0.00 4.64 -1.92 -1.29 113.55 115.66 2mea h SER 82 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2mea h SER 82 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2mea h SER 82 CO -0.00 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 2mea h ALA 83 N 1.95 1.00 -0.52 5.18 0.00 -1.60 -2.25 119.26 123.03 2mea h ALA 83 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2mea h ALA 83 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2mea h ALA 83 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2mea n LEU 84 N -2.40 3.49 -0.14 0.00 4.77 -0.48 -3.90 117.00 118.32 2mea n LEU 84 Ca 0.01 -1.75 0.01 0.00 -0.03 0.00 0.00 56.01 54.25 2mea n LEU 84 Cb 0.22 -0.46 0.03 0.00 -2.33 0.00 0.00 43.42 40.88 2mea n LEU 84 CO 0.20 0.68 0.52 0.18 -1.33 0.00 0.00 177.39 177.64 2mea n LEU 85 N 0.92 2.18 -4.87 2.23 4.77 -0.84 -3.35 117.00 118.04 2mea n LEU 85 Ca 0.19 -1.98 -0.31 0.00 -0.03 0.00 0.00 56.01 53.89 2mea n LEU 85 Cb 0.63 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.70 2mea n LEU 85 CO 0.16 0.55 0.73 -1.10 -1.33 0.00 0.00 177.39 176.40 2mea s GLN 86 N -0.98 3.23 0.15 3.23 -0.21 -1.25 -4.43 119.66 119.40 2mea s GLN 86 Ca 0.05 0.66 -0.03 0.00 0.02 0.00 0.00 55.36 56.06 2mea s GLN 86 Cb 0.03 -2.05 -0.01 0.00 1.00 0.00 0.00 33.01 31.98 2mea s GLN 86 CO 0.04 -0.82 1.38 -0.44 -2.12 0.00 0.00 175.29 173.33 2mea h ASP 87 N -0.50 0.54 -3.21 5.90 5.19 -1.94 -3.40 116.42 119.00 2mea h ASP 87 Ca -0.44 -0.38 -0.57 0.00 -0.62 0.00 0.00 57.03 55.01 2mea h ASP 87 Cb 1.22 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.51 2mea h ASP 87 CO 0.62 1.15 0.94 0.21 -3.12 0.00 0.00 179.24 179.04 2mea s ASN 88 N -7.02 6.74 0.00 6.45 3.84 -1.26 -4.91 114.94 118.77 2mea s ASN 88 Ca -0.06 1.14 0.20 0.00 0.21 0.00 0.00 52.86 54.35 2mea s ASN 88 Cb 0.10 -2.54 0.80 0.00 -0.55 0.00 0.00 41.25 39.06 2mea s ASN 88 CO 0.86 -1.04 1.57 2.30 -2.79 0.00 0.00 177.10 178.00 2mea n ILE 89 N 6.14 0.17 -0.16 -5.21 -5.35 -1.26 -4.50 119.36 109.19 2mea n ILE 89 Ca 0.14 -0.28 -0.04 0.00 -0.27 0.00 0.00 62.75 62.30 2mea n ILE 89 Cb 0.47 0.25 0.03 0.00 -1.74 0.00 0.00 39.64 38.65 2mea n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2mea h ALA 90 N 3.95 0.21 -0.67 -1.28 0.00 -1.95 -0.87 119.26 118.65 2mea h ALA 90 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2mea h ALA 90 Cb 0.39 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2mea h ALA 90 CO 0.00 -0.52 0.34 -0.44 0.00 0.00 0.00 179.25 178.64 2mea h ASP 91 N -0.07 0.84 -0.13 0.00 5.19 -1.86 -1.60 116.42 118.79 2mea h ASP 91 Ca 0.24 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 2mea h ASP 91 Cb 0.44 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 2mea h ASP 91 CO -0.56 0.70 0.03 0.00 -3.12 0.00 0.00 179.24 176.30 2mea h ALA 92 N 1.43 0.17 -0.29 3.45 0.00 -1.47 -2.02 119.26 120.54 2mea h ALA 92 Ca 0.24 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2mea h ALA 92 Cb 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2mea h ALA 92 CO -0.03 -0.20 0.09 0.28 0.00 0.00 0.00 179.25 179.38 2mea h VAL 93 N 0.01 0.90 -0.80 0.00 2.07 -0.91 0.43 116.25 117.96 2mea h VAL 93 Ca 0.04 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.55 2mea h VAL 93 Cb 0.24 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 2mea h VAL 93 CO -0.00 0.04 0.48 0.00 0.02 0.00 0.00 177.57 178.11 2mea h ALA 94 N 1.19 1.09 -0.29 1.67 0.00 -1.19 -0.64 119.26 121.09 2mea h ALA 94 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 2mea h ALA 94 Cb 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2mea h ALA 94 CO -0.14 0.20 -0.48 0.00 0.00 0.00 0.00 179.25 178.82 2mea h ALA 96 N 0.83 1.49 -0.25 0.00 0.00 -0.03 -0.73 119.26 120.57 2mea h ALA 96 Ca 0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2mea h ALA 96 Cb 1.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2mea h ALA 96 CO 0.11 0.42 -0.20 0.87 0.00 0.00 0.00 179.25 180.44 2mea h LYS 97 N 0.75 0.45 -0.25 0.00 1.57 -1.07 -2.68 116.57 115.34 2mea h LYS 97 Ca 0.19 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.66 2mea h LYS 97 Cb 0.03 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2mea h LYS 97 CO -0.03 0.63 -0.46 -0.09 -0.57 0.00 0.00 179.45 178.93 2mea h ARG 98 N 0.40 0.75 -0.76 3.15 9.65 -1.04 -3.11 114.38 123.42 2mea h ARG 98 Ca 0.07 -0.48 0.05 0.00 -1.10 0.00 0.00 59.98 58.52 2mea h ARG 98 Cb 0.59 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.17 2mea h ARG 98 CO 0.04 1.10 0.47 0.28 2.80 0.00 0.00 179.97 184.66 2mea h VAL 99 N 0.49 1.05 0.00 0.20 2.07 -1.02 -2.40 116.25 116.63 2mea h VAL 99 Ca 0.01 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2mea h VAL 99 Cb 1.07 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2mea h VAL 99 CO 0.10 0.16 0.00 1.33 0.02 0.00 0.00 177.57 179.18 2mea n VAL 100 N -4.67 0.32 1.02 2.57 0.24 -1.03 -2.77 118.33 114.00 2mea n VAL 100 Ca 0.10 0.08 0.13 0.00 -2.04 0.00 0.00 64.34 62.61 2mea n VAL 100 Cb 0.14 -0.66 0.61 0.00 -1.47 0.00 0.00 33.84 32.46 2mea n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2mea n ARG 101 N -1.49 0.07 -2.19 7.34 1.74 -0.90 -4.01 116.66 117.22 2mea n ARG 101 Ca 0.06 0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 56.85 2mea n ARG 101 Cb 0.28 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.21 2mea n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2mea s ASP 102 N -2.92 6.42 0.29 0.55 1.11 -1.12 -4.96 116.67 116.05 2mea s ASP 102 Ca 0.16 1.53 0.04 0.00 0.18 0.00 0.00 52.55 54.46 2mea s ASP 102 Cb 0.18 -2.50 0.76 0.00 1.07 0.00 0.00 42.92 42.44 2mea s ASP 102 CO 0.49 -0.73 1.44 -2.65 1.18 0.00 0.00 175.17 174.90 2mea n PRO 103 N -2.03 -0.07 0.23 8.23 -0.02 -1.26 -0.96 135.00 139.12 2mea n PRO 103 Ca 0.06 1.36 0.11 0.00 -2.02 0.00 0.00 63.50 63.01 2mea n PRO 103 Cb 0.54 -2.19 0.48 0.00 -0.02 0.00 0.00 33.50 32.31 2mea n PRO 103 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2mea h GLN 104 N 0.00 0.00 0.00 -0.52 4.20 -1.91 -3.49 115.11 113.39 2mea h GLN 104 Ca 0.58 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.29 2mea h GLN 104 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2mea h GLN 104 CO -0.84 0.20 0.00 0.41 -0.67 0.00 0.00 178.83 177.93 2mea n GLY 105 N 0.13 1.32 0.03 3.46 0.00 -0.13 -2.46 105.19 107.55 2mea n GLY 105 Ca 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 46.02 45.40 2mea n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2mea n ILE 106 N 0.00 1.13 0.67 -0.61 3.06 -1.26 -2.58 119.36 119.77 2mea n ILE 106 Ca 0.00 0.31 0.06 0.00 -2.50 0.00 0.00 62.75 60.62 2mea n ILE 106 Cb 0.00 -1.14 0.34 0.00 0.54 0.00 0.00 39.64 39.38 2mea n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2mea n ARG 107 N -1.67 0.26 0.22 9.51 1.74 -1.03 -2.45 116.66 123.24 2mea n ARG 107 Ca 0.02 0.11 0.05 0.00 -0.77 0.00 0.00 57.85 57.27 2mea n ARG 107 Cb 0.15 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.57 2mea n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2mea h ALA 108 N 2.67 1.58 -2.17 7.54 0.00 -1.69 -3.39 119.26 123.80 2mea h ALA 108 Ca 0.00 -0.20 -0.65 0.00 0.00 0.00 0.00 54.91 54.05 2mea h ALA 108 Cb 0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.68 2mea h ALA 108 CO 0.00 0.28 0.15 -1.58 0.00 0.00 0.00 179.25 178.10 2mea s TRP 109 N -4.48 3.06 0.46 0.00 0.51 -1.03 -4.94 118.94 112.52 2mea s TRP 109 Ca -0.04 -0.04 0.15 0.00 -2.12 0.00 0.00 56.10 54.05 2mea s TRP 109 Cb 0.15 -3.38 1.09 0.00 -0.81 0.00 0.00 33.47 30.52 2mea s TRP 109 CO 0.69 -0.89 2.02 0.28 -0.51 0.00 0.00 176.95 178.55 2mea h VAL 110 N 5.89 0.92 -0.34 4.03 2.07 -1.89 -1.29 116.25 125.65 2mea h VAL 110 Ca -0.25 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 2mea h VAL 110 Cb 1.09 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2mea h VAL 110 CO 0.90 0.06 -0.11 0.00 0.02 0.00 0.00 177.57 178.44 2mea h ALA 111 N 1.76 1.19 -0.32 1.67 0.00 -1.95 -1.55 119.26 120.05 2mea h ALA 111 Ca 0.21 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2mea h ALA 111 Cb 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2mea h ALA 111 CO -0.05 0.52 -0.39 2.35 0.00 0.00 0.00 179.25 181.69 2mea h TRP 112 N 0.53 0.92 -0.48 0.00 7.01 -1.58 0.21 115.95 122.55 2mea h TRP 112 Ca 0.10 -0.27 -0.05 0.00 2.11 0.00 0.00 58.89 60.78 2mea h TRP 112 Cb 0.50 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.35 2mea h TRP 112 CO 0.02 1.03 0.10 0.00 -2.79 0.00 0.00 178.44 176.80 2mea h ARG 113 N 0.63 0.79 -0.17 2.65 3.08 -1.22 0.12 114.38 120.26 2mea h ARG 113 Ca 0.05 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.79 2mea h ARG 113 Cb 0.94 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2mea h ARG 113 CO 0.09 0.78 -0.33 -0.91 -1.07 0.00 0.00 179.97 178.53 2mea h ASN 114 N 0.66 0.58 -0.00 7.04 2.35 -1.15 -3.32 115.58 121.74 2mea h ASN 114 Ca 0.15 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2mea h ASN 114 Cb 0.36 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2mea h ASN 114 CO 0.01 1.02 -0.50 0.54 -1.65 0.00 0.00 177.43 176.85 2mea n ARG 115 N -4.34 2.17 0.00 0.81 5.12 0.71 -4.83 116.66 116.30 2mea n ARG 115 Ca -0.06 -0.32 0.00 0.00 -1.93 0.00 0.00 57.85 55.54 2mea n ARG 115 Cb 0.49 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.61 2mea n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2mea n GLN 117 N -2.07 2.40 -0.96 0.00 7.27 0.18 -2.58 117.38 121.63 2mea n GLN 117 Ca 0.00 0.86 0.00 0.00 0.07 0.00 0.00 57.00 57.93 2mea n GLN 117 Cb 0.32 -2.60 0.00 0.00 2.41 0.00 0.00 30.24 30.37 2mea n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2mea n ASN 118 N 2.47 -4.53 -4.75 1.69 5.03 -1.26 -4.96 115.26 108.95 2mea n ASN 118 Ca 0.11 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.33 2mea n ASN 118 Cb 0.34 -2.54 -0.06 0.00 -1.02 0.00 0.00 39.78 36.50 2mea n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2mea s ARG 119 N -1.34 2.32 -0.03 3.52 0.52 -1.06 -5.08 118.95 117.79 2mea s ARG 119 Ca 0.00 -1.68 -0.30 0.00 -0.52 0.00 0.00 55.73 53.23 2mea s ARG 119 Cb 0.00 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 2mea s ARG 119 CO 0.00 -0.03 1.17 0.34 0.02 0.00 0.00 175.30 176.80 2mea s ASP 120 N -3.91 7.09 -0.04 0.23 -1.08 -1.26 -4.88 116.67 112.81 2mea s ASP 120 Ca 0.41 1.82 0.06 0.00 -0.52 0.00 0.00 52.55 54.32 2mea s ASP 120 Cb 0.00 -2.56 0.09 0.00 -1.46 0.00 0.00 42.92 38.99 2mea s ASP 120 CO 0.23 -0.53 0.96 1.33 0.52 0.00 0.00 175.17 177.68 2mea n VAL 121 N 4.43 0.90 0.25 1.11 0.24 -1.26 -4.78 118.33 119.22 2mea n VAL 121 Ca 0.10 -1.03 0.10 0.00 -2.04 0.00 0.00 64.34 61.48 2mea n VAL 121 Cb 0.47 0.35 0.68 0.00 -1.47 0.00 0.00 33.84 33.87 2mea n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2mea h ARG 122 N 0.00 0.00 0.00 7.34 3.08 -1.93 -2.75 114.38 120.12 2mea h ARG 122 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2mea h ARG 122 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 2mea h ARG 122 CO 0.00 0.12 -0.21 -0.56 -1.07 0.00 0.00 179.97 178.25 2mea h GLN 123 N 0.00 0.00 0.00 0.04 -0.00 -1.97 -2.43 115.11 110.75 2mea h GLN 123 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2mea h GLN 123 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.75 2mea h GLN 123 CO 0.02 0.21 0.00 1.88 -0.00 0.00 0.00 178.83 180.94 2mea h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.82 -2.42 116.97 112.84 2mea h TYR 124 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2mea h TYR 124 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 2mea h TYR 124 CO 0.00 0.00 0.00 1.33 -1.05 0.00 0.00 178.16 178.44 2mea n VAL 125 N -2.47 0.00 -1.68 -2.88 0.24 -1.01 -4.86 118.33 105.66 2mea n VAL 125 Ca -0.01 -0.39 -0.45 0.00 -2.04 0.00 0.00 64.34 61.45 2mea n VAL 125 Cb 0.10 1.20 -0.04 0.00 -1.47 0.00 0.00 33.84 33.64 2mea n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2mea n GLN 126 N -0.07 2.35 -0.41 7.34 1.13 -0.91 -1.93 117.38 124.88 2mea n GLN 126 Ca 0.00 0.85 0.00 0.00 -1.94 0.00 0.00 57.00 55.91 2mea n GLN 126 Cb 0.05 -2.65 0.00 0.00 0.11 0.00 0.00 30.24 27.75 2mea n GLN 126 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2mea n GLY 127 N 3.68 2.01 0.22 1.08 0.00 -1.26 -4.87 105.19 106.05 2mea n GLY 127 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 2mea n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mea n GLY 129 N 0.78 -0.04 0.00 0.00 0.00 -1.26 -4.95 105.19 99.71 2mea n GLY 129 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2mea n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65