#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 3.64 0.67 3.15 1.01 -1.26 -0.73 120.40 126.88 2mea s VAL 2 Ca 0.00 -1.93 -0.16 0.00 0.00 0.00 0.00 61.98 59.89 2mea s VAL 2 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.95 2mea s VAL 2 CO 0.00 -0.70 1.17 -0.36 0.00 0.00 0.00 175.10 175.20 2mea s PHE 3 N 1.23 2.34 -0.00 5.22 0.40 -0.49 -4.98 117.98 121.70 2mea s PHE 3 Ca 0.07 1.57 -0.09 0.00 -0.60 0.00 0.00 56.93 57.88 2mea s PHE 3 Cb -0.24 -3.36 -0.05 0.00 0.51 0.00 0.00 43.02 39.88 2mea s PHE 3 CO -0.03 -2.16 0.30 -1.83 0.70 0.00 0.00 175.22 172.20 2mea s GLU 4 N -3.84 3.66 0.02 0.44 4.04 -1.26 -4.84 118.70 116.92 2mea s GLU 4 Ca 0.72 0.07 -0.03 0.00 0.04 0.00 0.00 54.97 55.77 2mea s GLU 4 Cb -0.26 -3.11 -0.01 0.00 0.02 0.00 0.00 34.13 30.77 2mea s GLU 4 CO 0.41 0.67 0.48 -2.13 -1.84 0.00 0.00 175.26 172.84 2mea n ARG 5 N 1.39 -0.05 0.25 -4.83 0.63 -1.26 -0.53 116.66 112.26 2mea n ARG 5 Ca -0.13 0.48 0.13 0.00 -0.92 0.00 0.00 57.85 57.41 2mea n ARG 5 Cb 0.53 -0.71 0.62 0.00 0.45 0.00 0.00 32.46 33.35 2mea n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2mea h GLU 7 N 0.00 0.87 -0.20 0.00 4.81 -1.21 -1.87 114.58 116.98 2mea h GLU 7 Ca -0.00 -0.34 -0.14 0.00 -0.13 0.00 0.00 59.36 58.75 2mea h GLU 7 Cb 0.55 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2mea h GLU 7 CO 0.02 0.98 -0.42 1.25 -0.73 0.00 0.00 179.01 180.10 2mea h LEU 8 N 0.70 0.73 -0.31 1.64 5.85 -0.92 -2.71 115.31 120.29 2mea h LEU 8 Ca 0.11 -0.55 0.06 0.00 0.84 0.00 0.00 57.88 58.33 2mea h LEU 8 Cb 0.67 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 2mea h LEU 8 CO 0.05 1.14 -0.02 0.00 -0.34 0.00 0.00 178.44 179.27 2mea h ALA 9 N 0.60 0.26 -0.65 1.25 0.00 -1.30 0.14 119.26 119.56 2mea h ALA 9 Ca 0.01 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2mea h ALA 9 Cb 1.03 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2mea h ALA 9 CO 0.09 -0.42 0.19 0.00 0.00 0.00 0.00 179.25 179.11 2mea h ARG 10 N 0.07 1.01 -0.12 0.00 3.08 -1.38 -1.92 114.38 115.11 2mea h ARG 10 Ca 0.15 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 2mea h ARG 10 Cb 0.21 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2mea h ARG 10 CO -0.27 0.87 -0.16 1.15 -1.07 0.00 0.00 179.97 180.49 2mea h THR 11 N 0.97 1.37 -0.94 2.04 2.02 -1.06 -2.21 112.91 115.10 2mea h THR 11 Ca 0.21 -1.38 0.05 0.00 0.77 0.00 0.00 66.41 66.07 2mea h THR 11 Cb 0.30 1.99 -0.06 0.00 -1.74 0.00 0.00 68.15 68.64 2mea h THR 11 CO -0.01 0.40 0.60 -0.07 0.37 0.00 0.00 175.52 176.81 2mea h LEU 12 N -0.09 0.98 -0.22 2.58 3.38 -0.69 -1.95 115.31 119.31 2mea h LEU 12 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2mea h LEU 12 Cb 0.71 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2mea h LEU 12 CO 0.04 0.64 0.14 0.50 0.09 0.00 0.00 178.44 179.85 2mea h LYS 13 N 1.13 0.29 0.00 1.13 3.64 -1.23 -1.73 116.57 119.80 2mea h LYS 13 Ca 0.39 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 2mea h LYS 13 Cb 0.10 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2mea h LYS 13 CO -0.15 0.20 0.00 0.07 -2.27 0.00 0.00 179.45 177.30 2mea h ARG 14 N 0.29 0.00 -0.40 1.90 0.11 -0.93 -1.04 114.38 114.31 2mea h ARG 14 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 2mea h ARG 14 Cb -0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.06 2mea h ARG 14 CO -0.02 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.33 2mea n LEU 15 N -2.83 2.10 -1.47 0.08 4.77 -0.70 -4.93 117.00 114.03 2mea n LEU 15 Ca 0.00 -1.05 -0.10 0.00 -0.03 0.00 0.00 56.01 54.83 2mea n LEU 15 Cb 0.23 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 2mea n LEU 15 CO 0.23 0.50 0.01 0.61 -1.33 0.00 0.00 177.39 177.41 2mea n GLY 16 N 1.05 0.17 0.09 -0.72 0.00 -0.39 -4.96 105.19 100.43 2mea n GLY 16 Ca 0.13 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.88 2mea n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2mea n MET 17 N -2.18 0.62 -2.35 1.61 2.81 -0.92 -4.46 117.12 112.24 2mea n MET 17 Ca -0.05 0.05 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 2mea n MET 17 Cb 0.55 -1.76 -0.02 0.00 -0.71 0.00 0.00 33.22 31.28 2mea n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2mea s ASP 18 N -5.16 6.33 0.00 7.83 2.15 -1.26 -2.35 116.67 124.21 2mea s ASP 18 Ca -0.02 0.81 0.00 0.00 0.43 0.00 0.00 52.55 53.77 2mea s ASP 18 Cb 0.11 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2mea s ASP 18 CO 0.82 -1.44 0.00 0.61 -0.17 0.00 0.00 175.17 174.99 2mea n GLY 19 N 5.09 0.71 3.61 2.66 0.00 0.13 -4.89 105.19 112.50 2mea n GLY 19 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.29 1.45 -1.40 1.61 5.04 -0.99 -1.73 117.35 119.04 2mea s TYR 20 Ca 0.00 0.39 -0.05 0.00 -2.44 0.00 0.00 57.07 54.97 2mea s TYR 20 Cb 0.00 -4.03 0.01 0.00 0.35 0.00 0.00 41.96 38.29 2mea s TYR 20 CO 0.00 -3.94 0.71 -2.13 -1.34 0.00 0.00 175.55 168.86 2mea n ARG 21 N 8.33 -5.36 -0.91 4.97 3.00 -1.26 -1.79 116.66 123.64 2mea n ARG 21 Ca 0.25 0.83 0.00 0.00 -0.00 0.00 0.00 57.85 58.93 2mea n ARG 21 Cb 0.45 -5.60 0.00 0.00 0.00 0.00 0.00 32.46 27.31 2mea n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2mea n GLY 22 N -1.59 0.93 3.63 5.14 0.00 -0.71 -5.02 105.19 107.57 2mea n GLY 22 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.72 5.12 0.69 -0.61 1.01 -0.74 -4.90 121.20 118.05 2mea s ILE 23 Ca 0.00 0.79 -0.13 0.00 0.00 0.00 0.00 60.65 61.31 2mea s ILE 23 Cb 0.00 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.70 2mea s ILE 23 CO 0.00 0.14 1.08 -0.94 0.00 0.00 0.00 174.94 175.22 2mea s SER 24 N 1.46 5.12 0.25 3.58 1.04 -1.26 0.18 113.70 124.07 2mea s SER 24 Ca 0.20 1.81 -0.05 0.00 0.48 0.00 0.00 55.95 58.38 2mea s SER 24 Cb -0.16 -2.52 0.29 0.00 0.10 0.00 0.00 66.02 63.74 2mea s SER 24 CO 0.09 -1.62 1.87 0.25 0.98 0.00 0.00 173.24 174.81 2mea h LEU 25 N -0.45 1.02 -2.00 2.42 5.85 -1.90 -1.13 115.31 119.11 2mea h LEU 25 Ca -0.45 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 2mea h LEU 25 Cb 1.23 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 2mea h LEU 25 CO 0.55 0.84 -0.03 0.00 -0.34 0.00 0.00 178.44 179.45 2mea h ALA 26 N 1.32 1.87 0.07 1.25 0.00 -1.92 -0.89 119.26 120.97 2mea h ALA 26 Ca 0.28 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 2mea h ALA 26 Cb 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2mea h ALA 26 CO -0.04 0.04 -1.13 -0.91 0.00 0.00 0.00 179.25 177.21 2mea h ASN 27 N 0.00 0.64 -0.33 0.00 2.35 -1.54 -1.23 115.58 115.47 2mea h ASN 27 Ca -0.00 -0.58 -0.10 0.00 -0.55 0.00 0.00 56.30 55.07 2mea h ASN 27 Cb 0.06 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2mea h ASN 27 CO 0.00 1.40 -0.16 -0.50 -1.65 0.00 0.00 177.43 176.52 2mea h TRP 28 N 0.21 0.88 -0.44 1.19 4.06 -0.95 -2.18 115.95 118.73 2mea h TRP 28 Ca -0.13 -0.18 -0.06 0.00 2.06 0.00 0.00 58.89 60.58 2mea h TRP 28 Cb 1.80 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 29.72 2mea h TRP 28 CO 0.08 0.90 0.06 0.52 -3.56 0.00 0.00 178.44 176.43 2mea h MET 29 N 0.70 0.74 -0.56 0.49 2.86 -1.14 -1.89 114.93 116.12 2mea h MET 29 Ca 0.11 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2mea h MET 29 Cb 0.66 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 2mea h MET 29 CO 0.05 0.77 0.30 0.00 1.06 0.00 0.00 176.91 179.09 2mea h LEU 31 N 0.75 -0.02 -1.03 0.00 5.85 -1.26 -2.42 115.31 117.19 2mea h LEU 31 Ca 0.20 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2mea h LEU 31 Cb 0.06 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2mea h LEU 31 CO -0.03 -0.00 0.60 0.00 -0.34 0.00 0.00 178.44 178.67 2mea h ALA 32 N 1.04 1.28 0.24 1.25 0.00 -1.16 0.69 119.26 122.60 2mea h ALA 32 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2mea h ALA 32 Cb 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2mea h ALA 32 CO -0.04 0.64 -0.11 -0.22 0.00 0.00 0.00 179.25 179.52 2mea h LYS 33 N 1.29 -0.31 0.00 0.00 1.63 -0.88 -1.63 116.57 116.68 2mea h LYS 33 Ca 0.34 0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 60.06 2mea h LYS 33 Cb -0.11 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 2mea h LYS 33 CO -0.07 -0.16 -0.49 -1.49 -3.45 0.00 0.00 179.45 173.79 2mea h TRP 34 N -0.37 0.00 0.08 1.91 4.06 -1.37 -1.06 115.95 119.20 2mea h TRP 34 Ca -0.03 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.64 2mea h TRP 34 Cb 0.28 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.46 2mea h TRP 34 CO -0.05 0.49 -1.15 0.93 -3.56 0.00 0.00 178.44 175.10 2mea h GLU 35 N 0.00 0.56 0.00 0.49 4.39 -0.76 -3.43 114.58 115.82 2mea h GLU 35 Ca -0.00 -0.70 0.00 0.00 0.34 0.00 0.00 59.36 58.99 2mea h GLU 35 Cb 1.12 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 2mea h GLU 35 CO 0.06 1.30 0.00 -1.13 -1.16 0.00 0.00 179.01 178.08 2mea n SER 36 N -3.76 0.00 -0.66 1.42 3.41 -0.64 -4.83 113.62 108.55 2mea n SER 36 Ca -0.11 -0.10 -0.07 0.00 -0.26 0.00 0.00 58.87 58.33 2mea n SER 36 Cb 0.94 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.87 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 0.00 0.56 2.09 5.00 0.00 -0.40 -2.64 105.19 109.80 2mea n GLY 37 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.31 -0.02 -3.45 1.61 4.01 -1.23 -4.81 117.16 109.97 2mea n TYR 38 Ca -0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.26 2mea n TYR 38 Cb 0.37 -0.99 -0.10 0.00 -0.31 0.00 0.00 39.34 38.32 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 -2.96 6.13 0.25 7.72 3.84 -1.08 -1.39 114.94 127.45 2mea s ASN 39 Ca 0.00 -0.34 0.23 0.00 0.21 0.00 0.00 52.86 52.95 2mea s ASN 39 Cb 0.00 -2.18 0.97 0.00 -0.55 0.00 0.00 41.25 39.49 2mea s ASN 39 CO 0.00 -0.32 1.69 0.35 -2.79 0.00 0.00 177.10 176.03 2mea n THR 40 N 5.20 0.86 -0.37 -5.21 -2.24 0.09 -2.65 114.28 109.96 2mea n THR 40 Ca -0.10 0.27 0.10 0.00 -2.27 0.00 0.00 64.05 62.05 2mea n THR 40 Cb 0.49 -1.20 0.33 0.00 -2.10 0.00 0.00 70.33 67.86 2mea n THR 40 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2mea n ARG 41 N -2.19 3.06 -2.11 -0.78 1.74 -1.26 -4.03 116.66 111.09 2mea n ARG 41 Ca 0.02 -2.64 -0.39 0.00 -0.77 0.00 0.00 57.85 54.06 2mea n ARG 41 Cb 0.21 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 29.96 2mea n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2mea s ALA 42 N -1.38 3.23 0.03 7.54 0.00 -1.08 -4.83 121.76 125.27 2mea s ALA 42 Ca 0.48 1.17 -0.11 0.00 0.00 0.00 0.00 51.96 53.51 2mea s ALA 42 Cb 0.28 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.94 2mea s ALA 42 CO 0.29 -0.76 0.24 0.95 0.00 0.00 0.00 175.76 176.48 2mea s THR 43 N -1.29 0.09 -0.22 0.00 -4.23 -1.26 -1.09 115.64 107.65 2mea s THR 43 Ca 0.57 -0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 60.26 2mea s THR 43 Cb -0.36 -0.81 0.10 0.00 1.34 0.00 0.00 72.50 72.76 2mea s THR 43 CO 0.47 -0.41 0.46 0.21 -0.54 0.00 0.00 174.62 174.81 2mea s ASN 44 N -1.86 -0.43 0.08 3.99 2.47 -0.80 -4.96 114.94 113.43 2mea s ASN 44 Ca -0.08 1.11 -0.18 0.00 0.42 0.00 0.00 52.86 54.13 2mea s ASN 44 Cb -0.02 1.53 -0.07 0.00 -1.45 0.00 0.00 41.25 41.24 2mea s ASN 44 CO -0.02 -0.23 0.56 -0.47 -3.72 0.00 0.00 177.10 173.23 2mea s TYR 45 N 2.65 3.77 -0.35 0.43 5.04 -1.26 -0.01 117.35 127.63 2mea s TYR 45 Ca -0.03 1.23 -0.01 0.00 -2.44 0.00 0.00 57.07 55.83 2mea s TYR 45 Cb -0.12 -2.47 0.08 0.00 0.35 0.00 0.00 41.96 39.80 2mea s TYR 45 CO -0.14 0.57 0.08 -0.80 -1.34 0.00 0.00 175.55 173.92 2mea s ASN 46 N -1.20 5.00 0.33 4.32 0.01 0.16 -4.98 114.94 118.58 2mea s ASN 46 Ca 0.30 -1.69 0.01 0.00 -0.71 0.00 0.00 52.86 50.77 2mea s ASN 46 Cb -0.19 -1.74 0.58 0.00 0.41 0.00 0.00 41.25 40.31 2mea s ASN 46 CO 0.19 -0.38 1.99 0.00 -1.51 0.00 0.00 177.10 177.38 2mea h ALA 47 N 7.96 1.52 -0.01 0.60 0.00 -1.95 -0.29 119.26 127.08 2mea h ALA 47 Ca -0.15 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2mea h ALA 47 Cb 1.05 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2mea h ALA 47 CO 0.59 0.43 -0.45 0.78 0.00 0.00 0.00 179.25 180.61 2mea h GLY 48 N 0.94 -0.85 -1.94 0.00 0.00 -1.95 -3.13 103.07 96.14 2mea h GLY 48 Ca 0.27 0.55 0.00 0.00 0.00 0.00 0.00 47.33 48.15 2mea h GLY 48 CO -0.07 -0.24 0.00 2.09 0.00 0.00 0.00 176.54 178.32 2mea n ASP 49 N -5.45 3.69 -2.13 0.19 5.75 -1.21 -4.97 116.55 112.42 2mea n ASP 49 Ca -0.06 -2.31 -0.19 0.00 -0.01 0.00 0.00 54.79 52.22 2mea n ASP 49 Cb 0.38 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 40.03 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 0.60 -1.67 -3.51 0.11 1.74 -0.14 -4.72 116.66 109.06 2mea n ARG 50 Ca 0.18 1.00 -0.20 0.00 -0.77 0.00 0.00 57.85 58.07 2mea n ARG 50 Cb 0.65 -5.56 -0.02 0.00 -1.02 0.00 0.00 32.46 26.51 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 -2.24 5.31 0.01 0.55 1.04 -1.08 -4.61 113.70 112.68 2mea s SER 51 Ca 0.00 -0.57 0.02 0.00 0.48 0.00 0.00 55.95 55.88 2mea s SER 51 Cb 0.00 -0.75 -0.01 0.00 0.10 0.00 0.00 66.02 65.36 2mea s SER 51 CO 0.00 -0.58 -0.06 -0.89 0.98 0.00 0.00 173.24 172.69 2mea s THR 52 N -2.38 0.46 -0.14 2.02 2.01 -1.26 0.39 115.64 116.73 2mea s THR 52 Ca 0.47 -0.46 -0.08 0.00 0.31 0.00 0.00 61.69 61.93 2mea s THR 52 Cb -0.06 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 2mea s THR 52 CO 0.29 -0.02 0.14 -1.81 -0.69 0.00 0.00 174.62 172.53 2mea s ASP 53 N -0.52 6.34 0.07 3.53 1.01 0.99 -1.28 116.67 126.80 2mea s ASP 53 Ca -0.01 0.40 0.08 0.00 0.71 0.00 0.00 52.55 53.73 2mea s ASP 53 Cb -0.04 -2.08 -0.03 0.00 1.01 0.00 0.00 42.92 41.78 2mea s ASP 53 CO -0.00 0.34 -0.22 -0.31 0.21 0.00 0.00 175.17 175.20 2mea s TYR 54 N -0.62 1.87 0.00 4.23 1.51 -0.14 -1.90 117.35 122.31 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 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 2mea s TYR 54 CO 0.02 0.14 0.00 0.41 -1.11 0.00 0.00 175.55 175.02 2mea n GLY 55 N 1.56 -2.23 0.22 0.71 0.00 -0.25 -1.30 105.19 103.90 2mea n GLY 55 Ca -0.18 -1.53 0.09 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 0.00 -0.01 1.61 -0.00 -1.73 -2.79 116.94 114.02 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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 2mea h PHE 56 CO 0.00 0.24 -0.43 1.19 -0.00 0.00 0.00 178.31 179.32 2mea n PHE 57 N -3.43 0.00 -3.51 6.09 3.72 -1.26 -3.78 117.46 115.29 2mea n PHE 57 Ca -0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 2mea n PHE 57 Cb 0.43 -0.07 0.04 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.54 -1.49 -2.78 -1.08 1.13 -1.05 -4.94 117.38 106.61 2mea n GLN 58 Ca 0.10 0.70 -0.42 0.00 -1.94 0.00 0.00 57.00 55.44 2mea n GLN 58 Cb 0.39 -4.60 -0.03 0.00 0.11 0.00 0.00 30.24 26.11 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 -3.35 4.80 0.20 5.09 1.01 -0.42 -4.52 121.20 124.00 2mea s ILE 59 Ca 0.38 1.82 -0.30 0.00 0.00 0.00 0.00 60.65 62.55 2mea s ILE 59 Cb -0.11 -4.22 -0.08 0.00 0.01 0.00 0.00 42.46 38.06 2mea s ILE 59 CO 0.82 -0.05 1.17 0.21 0.00 0.00 0.00 174.94 177.08 2mea s ASN 60 N 1.19 7.14 0.39 3.58 3.84 -1.26 -0.97 114.94 128.85 2mea s ASN 60 Ca 0.41 2.22 0.28 0.00 0.21 0.00 0.00 52.86 55.98 2mea s ASN 60 Cb -0.16 -2.61 0.99 0.00 -0.55 0.00 0.00 41.25 38.92 2mea s ASN 60 CO 0.11 -0.31 1.81 0.77 -2.79 0.00 0.00 177.10 176.68 2mea h SER 61 N 4.94 0.00 0.01 -4.21 4.64 -1.42 -2.10 113.55 115.41 2mea h SER 61 Ca -0.45 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.73 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 0.73 0.00 -0.44 -0.09 -0.87 0.00 0.00 176.83 176.16 2mea h ARG 62 N 0.00 0.52 0.00 4.77 9.65 -1.84 -3.39 114.38 124.08 2mea h ARG 62 Ca 0.00 -0.28 -0.04 0.00 -1.10 0.00 0.00 59.98 58.56 2mea h ARG 62 Cb 0.58 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 2mea h ARG 62 CO 0.00 0.86 -1.14 0.66 2.80 0.00 0.00 179.97 183.15 2mea n TYR 63 N -4.01 0.00 -0.11 2.20 4.01 -1.21 -0.21 117.16 117.82 2mea n TYR 63 Ca -0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 2mea n TYR 63 Cb 0.53 -0.10 -0.12 0.00 -0.31 0.00 0.00 39.34 39.34 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 -2.14 0.00 -4.27 -0.72 7.02 -0.79 -1.78 117.44 114.75 2mea n TRP 64 Ca -0.03 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.30 2mea n TRP 64 Cb 0.56 -0.92 -0.10 0.00 -2.42 0.00 0.00 31.31 28.43 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 5.16 0.00 0.00 2.47 -0.48 -4.51 114.94 114.37 2mea s ASN 66 Ca 0.22 -0.17 0.08 0.00 0.42 0.00 0.00 52.86 53.41 2mea s ASN 66 Cb 0.04 -1.92 0.11 0.00 -1.45 0.00 0.00 41.25 38.04 2mea s ASN 66 CO 0.04 0.01 0.87 -0.90 -3.72 0.00 0.00 177.10 173.40 2mea n ASP 67 N 4.65 1.95 0.00 -4.21 5.75 -1.26 0.07 116.55 123.50 2mea n ASP 67 Ca -0.16 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 2mea n ASP 67 Cb 0.52 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 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 0.39 0.32 1.68 6.12 0.00 -1.26 -4.82 105.19 107.62 2mea n GLY 68 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 2mea n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2mea n LYS 69 N -1.28 0.29 -4.34 1.61 2.85 -1.26 -5.06 118.16 110.97 2mea n LYS 69 Ca 0.00 -2.14 -0.30 0.00 -1.05 0.00 0.00 58.31 54.83 2mea n LYS 69 Cb 0.18 -0.20 -0.17 0.00 -0.65 0.00 0.00 35.03 34.20 2mea n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2mea s THR 70 N -0.58 1.61 0.29 0.58 2.01 -1.26 -4.92 115.64 113.37 2mea s THR 70 Ca 0.30 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.31 2mea s THR 70 Cb 0.35 -1.48 -0.11 0.00 0.01 0.00 0.00 72.50 71.27 2mea s THR 70 CO -0.14 0.46 1.52 -2.84 -0.69 0.00 0.00 174.62 172.94 2mea s PRO 71 N 1.13 4.17 -1.45 4.92 0.02 -1.26 -3.11 135.00 139.42 2mea s PRO 71 Ca -0.03 2.48 -0.10 0.00 0.02 0.00 0.00 61.00 63.37 2mea s PRO 71 Cb -0.14 -3.04 0.07 0.00 0.02 0.00 0.00 34.50 31.40 2mea s PRO 71 CO -0.05 -0.54 0.73 0.41 -0.33 0.00 0.00 177.00 177.22 2mea n GLY 72 N 1.91 -0.50 3.80 0.52 0.00 -1.26 -4.93 105.19 104.74 2mea n GLY 72 Ca 0.06 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.14 2.96 0.16 4.61 0.00 -1.18 -4.91 121.76 120.27 2mea s ALA 73 Ca 0.50 0.53 0.10 0.00 0.00 0.00 0.00 51.96 53.09 2mea s ALA 73 Cb -0.25 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2mea s ALA 73 CO 0.61 -0.11 -0.22 0.08 0.00 0.00 0.00 175.76 176.12 2mea s VAL 74 N -2.03 2.10 -0.61 0.00 1.01 0.70 -4.99 120.40 116.58 2mea s VAL 74 Ca 0.64 -1.88 0.05 0.00 0.00 0.00 0.00 61.98 60.79 2mea s VAL 74 Cb -0.14 -1.94 0.32 0.00 0.00 0.00 0.00 36.38 34.62 2mea s VAL 74 CO 0.18 -0.13 0.94 -3.20 0.00 0.00 0.00 175.10 172.89 2mea n ASN 75 N 0.51 4.46 -0.19 3.32 2.85 -1.25 -3.63 115.26 121.32 2mea n ASN 75 Ca -0.15 -3.63 0.17 0.00 -0.11 0.00 0.00 54.58 50.86 2mea n ASN 75 Cb 0.55 -0.61 0.51 0.00 1.24 0.00 0.00 39.78 41.47 2mea n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2mea h ALA 76 N 3.31 2.16 0.00 5.20 0.00 -1.42 0.34 119.26 128.85 2mea h ALA 76 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2mea h ALA 76 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2mea h ALA 76 CO 0.84 -0.39 -0.35 0.00 0.00 0.00 0.00 179.25 179.35 2mea n HIS 78 N -1.71 -2.08 -3.61 0.00 -0.00 0.12 -4.98 115.22 102.96 2mea n HIS 78 Ca 0.05 0.68 -0.15 0.00 -0.00 0.00 0.00 57.72 58.30 2mea n HIS 78 Cb 0.37 -3.92 -0.07 0.00 -0.00 0.00 0.00 29.99 26.37 2mea n HIS 78 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 2mea s LEU 79 N -6.21 -0.04 0.36 2.41 0.05 -1.26 -5.08 118.68 108.91 2mea s LEU 79 Ca 0.34 0.37 -0.27 0.00 0.05 0.00 0.00 54.13 54.62 2mea s LEU 79 Cb -0.09 2.04 -0.09 0.00 -2.05 0.00 0.00 46.19 46.00 2mea s LEU 79 CO 0.81 -0.59 1.21 -0.55 -0.55 0.00 0.00 176.35 176.68 2mea s SER 80 N -1.46 6.69 0.54 1.48 0.15 -1.26 -1.38 113.70 118.47 2mea s SER 80 Ca -0.10 2.46 0.28 0.00 0.70 0.00 0.00 55.95 59.29 2mea s SER 80 Cb -0.02 -2.63 1.56 0.00 -1.71 0.00 0.00 66.02 63.23 2mea s SER 80 CO 0.05 -0.56 2.12 0.00 1.20 0.00 0.00 173.24 176.05 2mea h SER 82 N 0.00 0.00 0.50 0.00 4.64 -1.91 -0.34 113.55 116.44 2mea h SER 82 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2mea h SER 82 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2mea h SER 82 CO 0.01 0.11 -0.00 0.00 -0.87 0.00 0.00 176.83 176.08 2mea h ALA 83 N 1.89 1.01 -0.55 5.18 0.00 -1.70 -2.37 119.26 122.71 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 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2mea h ALA 83 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2mea n LEU 84 N -3.10 2.99 -0.34 0.00 4.77 -0.14 -3.77 117.00 117.41 2mea n LEU 84 Ca -0.01 -1.49 0.05 0.00 -0.03 0.00 0.00 56.01 54.52 2mea n LEU 84 Cb 0.19 -0.37 0.11 0.00 -2.33 0.00 0.00 43.42 41.01 2mea n LEU 84 CO 0.24 0.74 0.58 0.18 -1.33 0.00 0.00 177.39 177.79 2mea n LEU 85 N 1.11 2.61 -4.92 2.23 4.77 -0.89 -3.21 117.00 118.70 2mea n LEU 85 Ca 0.19 -2.32 -0.26 0.00 -0.03 0.00 0.00 56.01 53.58 2mea n LEU 85 Cb 0.47 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2mea n LEU 85 CO 0.13 0.63 0.27 -1.10 -1.33 0.00 0.00 177.39 175.99 2mea s GLN 86 N -1.56 3.55 0.37 3.23 -1.52 -1.25 -4.46 119.66 118.03 2mea s GLN 86 Ca 0.18 -0.06 0.13 0.00 -1.95 0.00 0.00 55.36 53.66 2mea s GLN 86 Cb 0.13 -2.56 0.73 0.00 -0.22 0.00 0.00 33.01 31.09 2mea s GLN 86 CO 0.07 0.06 1.83 -0.44 -0.25 0.00 0.00 175.29 176.55 2mea h ASP 87 N 0.86 0.00 -3.52 5.90 3.32 -1.93 -3.40 116.42 117.65 2mea h ASP 87 Ca -0.48 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 55.96 2mea h ASP 87 Cb 1.21 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 2mea h ASP 87 CO 0.63 0.37 0.44 0.21 -1.72 0.00 0.00 179.24 179.16 2mea s ASN 88 N -6.93 6.59 0.00 6.45 3.84 -1.26 -4.95 114.94 118.68 2mea s ASN 88 Ca -0.03 0.41 0.19 0.00 0.21 0.00 0.00 52.86 53.65 2mea s ASN 88 Cb 0.14 -2.42 0.86 0.00 -0.55 0.00 0.00 41.25 39.28 2mea s ASN 88 CO 0.72 -0.77 1.59 2.30 -2.79 0.00 0.00 177.10 178.15 2mea n ILE 89 N 5.85 0.14 -0.29 -5.21 -5.35 -1.26 -4.39 119.36 108.85 2mea n ILE 89 Ca 0.04 -0.22 0.10 0.00 -0.27 0.00 0.00 62.75 62.41 2mea n ILE 89 Cb 0.48 0.13 0.27 0.00 -1.74 0.00 0.00 39.64 38.77 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 3.86 1.32 -0.08 -1.28 0.00 -1.95 -0.70 119.26 120.42 2mea h ALA 90 Ca 0.00 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 2mea h ALA 90 Cb 0.30 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2mea h ALA 90 CO 0.00 -0.27 -0.66 -0.44 0.00 0.00 0.00 179.25 177.88 2mea h ASP 91 N 0.44 0.39 -0.43 0.00 3.32 -1.89 -2.50 116.42 115.76 2mea h ASP 91 Ca 0.51 -0.24 -0.15 0.00 0.02 0.00 0.00 57.03 57.18 2mea h ASP 91 Cb 0.90 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2mea h ASP 91 CO -0.48 0.94 -0.30 0.00 -1.72 0.00 0.00 179.24 177.68 2mea h ALA 92 N 1.06 0.61 -0.51 3.45 0.00 -1.47 -2.03 119.26 120.36 2mea h ALA 92 Ca -0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2mea h ALA 92 Cb 1.20 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2mea h ALA 92 CO 0.11 0.66 0.08 0.28 0.00 0.00 0.00 179.25 180.38 2mea h VAL 93 N 0.80 1.25 -0.69 0.00 2.07 -1.19 0.82 116.25 119.30 2mea h VAL 93 Ca 0.08 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 2mea h VAL 93 Cb 0.89 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2mea h VAL 93 CO 0.08 0.34 0.26 0.00 0.02 0.00 0.00 177.57 178.27 2mea h ALA 94 N 0.97 0.90 0.00 1.67 0.00 -1.40 -1.26 119.26 120.13 2mea h ALA 94 Ca 0.15 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2mea h ALA 94 Cb 0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2mea h ALA 94 CO 0.01 0.53 -0.45 0.00 0.00 0.00 0.00 179.25 179.34 2mea h ALA 96 N 1.55 0.53 -0.46 0.00 0.00 -0.35 -2.29 119.26 118.24 2mea h ALA 96 Ca -0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 2mea h ALA 96 Cb 1.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2mea h ALA 96 CO 0.06 0.73 0.15 0.87 0.00 0.00 0.00 179.25 181.05 2mea h LYS 97 N 0.39 0.68 -0.33 0.00 1.57 -1.08 -1.97 116.57 115.83 2mea h LYS 97 Ca -0.03 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.50 2mea h LYS 97 Cb 1.30 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2mea h LYS 97 CO 0.13 0.59 -0.34 -0.09 -0.57 0.00 0.00 179.45 179.18 2mea h ARG 98 N 0.67 0.81 -0.45 3.15 9.65 -1.38 -2.71 114.38 124.12 2mea h ARG 98 Ca 0.16 -0.43 0.03 0.00 -1.10 0.00 0.00 59.98 58.63 2mea h ARG 98 Cb 0.20 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 2mea h ARG 98 CO -0.01 1.06 0.25 0.28 2.80 0.00 0.00 179.97 184.36 2mea h VAL 99 N 0.59 1.02 0.00 0.20 2.07 -0.94 -2.21 116.25 116.98 2mea h VAL 99 Ca 0.05 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2mea h VAL 99 Cb 0.92 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2mea h VAL 99 CO 0.08 0.09 0.00 1.33 0.02 0.00 0.00 177.57 179.10 2mea n VAL 100 N -4.86 0.11 0.67 2.57 0.24 -0.78 -2.84 118.33 113.44 2mea n VAL 100 Ca 0.03 0.03 0.13 0.00 -2.04 0.00 0.00 64.34 62.49 2mea n VAL 100 Cb 0.08 -0.60 0.43 0.00 -1.47 0.00 0.00 33.84 32.28 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 -1.20 0.23 -1.80 7.34 1.74 -0.83 -4.26 116.66 117.88 2mea n ARG 101 Ca 0.15 0.19 -0.32 0.00 -0.77 0.00 0.00 57.85 57.10 2mea n ARG 101 Cb 0.17 -1.77 0.03 0.00 -1.02 0.00 0.00 32.46 29.87 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 -4.37 5.68 0.37 0.55 1.11 -1.13 -4.94 116.67 113.94 2mea s ASP 102 Ca 0.11 1.65 0.19 0.00 0.18 0.00 0.00 52.55 54.68 2mea s ASP 102 Cb 0.13 -2.50 1.15 0.00 1.07 0.00 0.00 42.92 42.77 2mea s ASP 102 CO 0.59 -1.24 1.69 1.55 1.18 0.00 0.00 175.17 178.94 2mea h PRO 103 N -0.21 0.30 0.00 8.23 0.13 -1.89 -0.96 132.00 137.60 2mea h PRO 103 Ca -0.45 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 2mea h PRO 103 Cb 1.21 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2mea h PRO 103 CO 0.58 0.20 -0.17 0.37 -0.23 0.00 0.00 178.00 178.75 2mea h GLN 104 N 0.31 0.00 0.00 0.86 4.15 -1.91 -3.49 115.11 115.03 2mea h GLN 104 Ca 0.71 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.13 2mea h GLN 104 Cb 1.79 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.48 2mea h GLN 104 CO -0.48 0.17 0.00 0.41 -1.93 0.00 0.00 178.83 177.00 2mea n GLY 105 N 0.13 0.96 0.00 2.39 0.00 -0.37 -2.67 105.19 105.63 2mea n GLY 105 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.36 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 1.22 0.74 -0.61 3.06 -1.26 -2.53 119.36 119.98 2mea n ILE 106 Ca 0.00 0.31 0.07 0.00 -2.50 0.00 0.00 62.75 60.62 2mea n ILE 106 Cb 0.00 -1.12 0.37 0.00 0.54 0.00 0.00 39.64 39.44 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 -1.49 0.29 0.19 9.51 1.74 -1.09 -2.49 116.66 123.32 2mea n ARG 107 Ca 0.03 0.10 0.05 0.00 -0.77 0.00 0.00 57.85 57.25 2mea n ARG 107 Cb 0.13 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.56 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 2.74 1.69 -2.38 7.54 0.00 -1.69 -3.40 119.26 123.76 2mea h ALA 108 Ca 0.00 -0.15 -0.62 0.00 0.00 0.00 0.00 54.91 54.14 2mea h ALA 108 Cb 0.08 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.70 2mea h ALA 108 CO 0.00 0.23 0.15 -1.58 0.00 0.00 0.00 179.25 178.05 2mea s TRP 109 N -4.76 3.20 0.20 0.00 0.51 -1.04 -4.97 118.94 112.09 2mea s TRP 109 Ca -0.05 0.54 -0.10 0.00 -2.12 0.00 0.00 56.10 54.38 2mea s TRP 109 Cb 0.16 -3.03 0.14 0.00 -0.81 0.00 0.00 33.47 29.93 2mea s TRP 109 CO 0.70 -0.51 1.80 0.28 -0.51 0.00 0.00 176.95 178.71 2mea h VAL 110 N 5.57 1.24 -0.93 4.03 2.07 -1.89 -2.30 116.25 124.03 2mea h VAL 110 Ca -0.27 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 66.69 2mea h VAL 110 Cb 1.12 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 2mea h VAL 110 CO 0.81 0.27 0.60 0.00 0.02 0.00 0.00 177.57 179.28 2mea h ALA 111 N 1.18 1.52 -0.31 1.67 0.00 -1.96 -0.61 119.26 120.75 2mea h ALA 111 Ca 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2mea h ALA 111 Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2mea h ALA 111 CO -0.03 0.32 0.13 2.35 0.00 0.00 0.00 179.25 182.01 2mea h TRP 112 N 1.02 0.47 -0.74 0.00 7.01 -1.76 0.15 115.95 122.11 2mea h TRP 112 Ca 0.41 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.34 2mea h TRP 112 Cb 0.27 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 2mea h TRP 112 CO -0.00 0.45 0.30 0.00 -2.79 0.00 0.00 178.44 176.40 2mea h ARG 113 N 0.35 1.10 -0.01 2.65 3.08 -1.20 0.48 114.38 120.83 2mea h ARG 113 Ca 0.10 -0.20 -0.19 0.00 0.07 0.00 0.00 59.98 59.77 2mea h ARG 113 Cb 0.18 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2mea h ARG 113 CO -0.01 0.90 -0.83 -0.91 -1.07 0.00 0.00 179.97 178.05 2mea h ASN 114 N 1.06 0.29 -0.00 7.04 2.35 -0.94 -3.33 115.58 122.05 2mea h ASN 114 Ca 0.25 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2mea h ASN 114 Cb 0.20 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2mea h ASN 114 CO -0.02 0.99 -0.22 0.54 -1.65 0.00 0.00 177.43 177.07 2mea n ARG 115 N -3.71 5.26 0.00 0.81 1.74 0.52 -4.88 116.66 116.40 2mea n ARG 115 Ca -0.04 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2mea n ARG 115 Cb 0.77 -0.74 0.00 0.00 -1.02 0.00 0.00 32.46 31.47 2mea n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2mea n GLN 117 N -2.53 1.36 -1.11 0.00 7.27 -0.15 -1.76 117.38 120.45 2mea n GLN 117 Ca 0.00 0.49 -0.04 0.00 0.07 0.00 0.00 57.00 57.53 2mea n GLN 117 Cb 0.36 -2.19 -0.02 0.00 2.41 0.00 0.00 30.24 30.80 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 4.03 -4.46 -4.65 1.69 5.03 -1.26 -4.95 115.26 110.68 2mea n ASN 118 Ca 0.21 0.10 -0.24 0.00 0.87 0.00 0.00 54.58 55.52 2mea n ASN 118 Cb 0.19 -2.31 -0.08 0.00 -1.02 0.00 0.00 39.78 36.57 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 -1.72 2.18 -0.18 3.52 0.52 -0.72 -5.08 118.95 117.47 2mea s ARG 119 Ca 0.00 -1.63 -0.29 0.00 -0.52 0.00 0.00 55.73 53.29 2mea s ARG 119 Cb 0.00 -2.03 -0.01 0.00 0.52 0.00 0.00 34.95 33.43 2mea s ARG 119 CO 0.00 0.18 1.23 0.34 0.02 0.00 0.00 175.30 177.07 2mea s ASP 120 N -3.73 6.96 -0.07 0.23 -1.08 -1.26 -4.87 116.67 112.85 2mea s ASP 120 Ca 0.35 1.63 0.11 0.00 -0.52 0.00 0.00 52.55 54.11 2mea s ASP 120 Cb -0.02 -2.54 0.19 0.00 -1.46 0.00 0.00 42.92 39.09 2mea s ASP 120 CO 0.20 -0.75 1.11 1.33 0.52 0.00 0.00 175.17 177.58 2mea n VAL 121 N 5.38 1.50 0.27 1.11 0.24 -1.26 -4.72 118.33 120.85 2mea n VAL 121 Ca 0.14 -1.66 0.11 0.00 -2.04 0.00 0.00 64.34 60.89 2mea n VAL 121 Cb 0.45 0.10 0.72 0.00 -1.47 0.00 0.00 33.84 33.64 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 0.22 0.00 -0.66 7.34 3.08 -1.92 -2.58 114.38 119.86 2mea h ARG 122 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2mea h ARG 122 Cb 0.81 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.82 2mea h ARG 122 CO 0.01 0.06 0.44 -0.56 -1.07 0.00 0.00 179.97 178.85 2mea h GLN 123 N 0.00 0.51 0.00 0.04 3.07 -1.95 -1.80 115.11 114.98 2mea h GLN 123 Ca -0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 58.71 2mea h GLN 123 Cb 0.12 -0.12 -0.00 0.00 0.08 0.00 0.00 27.48 27.56 2mea h GLN 123 CO 0.01 0.34 -0.01 1.88 0.09 0.00 0.00 178.83 181.14 2mea h TYR 124 N 0.53 0.00 0.00 0.06 0.05 -1.79 -3.06 116.97 112.76 2mea h TYR 124 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.08 2mea h TYR 124 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 2mea h TYR 124 CO -0.00 0.01 0.00 1.33 -1.05 0.00 0.00 178.16 178.45 2mea n VAL 125 N -3.37 0.00 -2.01 -2.88 0.24 -0.79 -4.87 118.33 104.66 2mea n VAL 125 Ca -0.03 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.34 61.54 2mea n VAL 125 Cb 0.10 1.33 -0.03 0.00 -1.47 0.00 0.00 33.84 33.77 2mea n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2mea s GLN 126 N -0.08 4.25 0.00 7.34 -1.52 -0.75 -2.12 119.66 126.78 2mea s GLN 126 Ca 0.00 2.28 0.00 0.00 -1.95 0.00 0.00 55.36 55.69 2mea s GLN 126 Cb 0.00 -3.17 0.00 0.00 -0.22 0.00 0.00 33.01 29.62 2mea s GLN 126 CO 0.00 -0.53 0.00 0.41 -0.25 0.00 0.00 175.29 174.92 2mea n GLY 127 N 3.38 1.21 0.06 3.09 0.00 -1.26 -4.90 105.19 106.77 2mea n GLY 127 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 1.37 -0.29 0.41 0.00 0.00 -1.26 -4.92 105.19 100.50 2mea n GLY 129 Ca 0.05 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.21 2mea n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65