#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tcy s VAL 2 N 0.00 4.40 0.47 0.58 1.01 -1.26 -1.59 120.40 124.01 1tcy s VAL 2 Ca 0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 1tcy s VAL 2 Cb 0.00 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 1tcy s VAL 2 CO 0.00 0.13 1.06 -0.36 0.00 0.00 0.00 175.10 175.94 1tcy s PHE 3 N 1.59 3.01 0.44 5.22 0.40 -0.60 -5.03 117.98 123.01 1tcy s PHE 3 Ca 0.05 1.58 -0.13 0.00 -0.60 0.00 0.00 56.93 57.83 1tcy s PHE 3 Cb -0.17 -3.14 -0.07 0.00 0.51 0.00 0.00 43.02 40.15 1tcy s PHE 3 CO 0.05 -0.94 0.85 -1.21 0.70 0.00 0.00 175.22 174.67 1tcy s GLU 4 N -3.01 3.86 0.11 0.44 2.02 -1.26 -4.88 118.70 115.98 1tcy s GLU 4 Ca 0.65 0.67 -0.31 0.00 0.02 0.00 0.00 54.97 56.01 1tcy s GLU 4 Cb -0.20 -2.29 -0.10 0.00 0.10 0.00 0.00 34.13 31.64 1tcy s GLU 4 CO 0.24 -0.11 1.59 -0.09 0.02 0.00 0.00 175.26 176.90 1tcy h ARG 5 N 1.19 -0.63 0.00 1.61 2.43 -1.97 -1.02 114.38 115.99 1tcy h ARG 5 Ca -0.47 0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 58.63 1tcy h ARG 5 Cb 1.19 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1tcy h ARG 5 CO 0.63 -0.42 -0.54 0.00 -1.51 0.00 0.00 179.97 178.14 1tcy h GLU 7 N 0.00 0.18 -0.49 0.00 4.81 -1.89 -1.40 114.58 115.79 1tcy h GLU 7 Ca -0.01 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1tcy h GLU 7 Cb 1.06 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1tcy h GLU 7 CO 0.07 0.12 0.04 1.25 -0.73 0.00 0.00 179.01 179.77 1tcy h LEU 8 N 0.19 0.82 -0.37 1.64 5.85 -0.68 -2.06 115.31 120.68 1tcy h LEU 8 Ca 0.10 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.57 1tcy h LEU 8 Cb 0.06 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1tcy h LEU 8 CO -0.10 0.89 0.16 0.00 -0.34 0.00 0.00 178.44 179.06 1tcy h ALA 9 N 0.95 0.45 -0.28 1.25 0.00 -0.92 0.74 119.26 121.46 1tcy h ALA 9 Ca 0.15 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1tcy h ALA 9 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1tcy h ALA 9 CO 0.02 -0.22 -0.25 0.00 0.00 0.00 0.00 179.25 178.79 1tcy h ARG 10 N 0.33 0.54 -0.50 0.00 3.08 -1.22 -1.40 114.38 115.20 1tcy h ARG 10 Ca 0.17 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1tcy h ARG 10 Cb 0.11 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1tcy h ARG 10 CO -0.14 0.75 0.03 1.15 -1.07 0.00 0.00 179.97 180.68 1tcy h THR 11 N 0.47 1.26 -0.43 2.04 2.02 -0.60 -1.15 112.91 116.52 1tcy h THR 11 Ca 0.07 -1.03 -0.10 0.00 0.77 0.00 0.00 66.41 66.12 1tcy h THR 11 Cb 0.69 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1tcy h THR 11 CO 0.05 0.36 -0.15 -0.07 0.37 0.00 0.00 175.52 176.08 1tcy h LEU 12 N 0.73 0.80 0.14 2.58 3.38 -0.66 -1.95 115.31 120.34 1tcy h LEU 12 Ca 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1tcy h LEU 12 Cb 0.47 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1tcy h LEU 12 CO 0.02 0.96 -0.08 0.50 0.09 0.00 0.00 178.44 179.93 1tcy h LYS 13 N 0.72 -0.20 -0.63 1.13 3.64 -1.09 -1.69 116.57 118.45 1tcy h LYS 13 Ca 0.11 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1tcy h LYS 13 Cb 0.65 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 1tcy h LYS 13 CO 0.05 -0.14 0.42 -0.09 -2.27 0.00 0.00 179.45 177.42 1tcy h ARG 14 N -0.21 0.53 -0.20 1.90 2.43 -0.96 -1.77 114.38 116.10 1tcy h ARG 14 Ca -0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1tcy h ARG 14 Cb 0.17 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1tcy h ARG 14 CO 0.02 0.35 0.00 1.28 -1.51 0.00 0.00 179.97 180.11 1tcy n LEU 15 N -4.48 1.21 0.00 3.80 4.77 -0.76 -4.92 117.00 116.63 1tcy n LEU 15 Ca 0.10 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1tcy n LEU 15 Cb 0.29 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1tcy n LEU 15 CO 0.34 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1tcy n GLY 16 N 0.91 0.52 0.13 -0.72 0.00 -0.67 -4.96 105.19 100.40 1tcy n GLY 16 Ca 0.10 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.36 1tcy n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1tcy h MET 17 N 0.00 0.00 -6.46 1.61 2.86 -1.49 -3.40 114.93 108.05 1tcy h MET 17 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1tcy h MET 17 Cb 0.10 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1tcy h MET 17 CO 0.00 0.00 1.07 0.34 1.06 0.00 0.00 176.91 179.38 1tcy s ASP 18 N -5.00 6.37 0.00 1.22 2.15 -1.26 -2.32 116.67 117.83 1tcy s ASP 18 Ca 0.07 1.00 0.00 0.00 0.43 0.00 0.00 52.55 54.05 1tcy s ASP 18 Cb 0.10 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1tcy s ASP 18 CO 0.67 -1.37 0.00 0.61 -0.17 0.00 0.00 175.17 174.90 1tcy n GLY 19 N 4.92 0.59 3.68 2.66 0.00 0.10 -4.90 105.19 112.26 1tcy n GLY 19 Ca 0.17 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1tcy n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1tcy s TYR 20 N -2.00 2.33 -1.28 1.61 5.04 -0.98 -1.26 117.35 120.81 1tcy s TYR 20 Ca 0.00 0.31 -0.08 0.00 -2.44 0.00 0.00 57.07 54.86 1tcy s TYR 20 Cb 0.00 -3.94 0.06 0.00 0.35 0.00 0.00 41.96 38.44 1tcy s TYR 20 CO 0.00 -3.79 0.45 -2.13 -1.34 0.00 0.00 175.55 168.75 1tcy n ARG 21 N 5.96 -3.41 -0.94 4.97 3.00 -1.26 -1.31 116.66 123.68 1tcy n ARG 21 Ca 0.16 0.51 0.00 0.00 -0.00 0.00 0.00 57.85 58.52 1tcy n ARG 21 Cb 0.41 -5.22 0.00 0.00 0.00 0.00 0.00 32.46 27.65 1tcy n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1tcy n GLY 22 N -1.16 0.50 3.45 5.14 0.00 -0.39 -5.03 105.19 107.69 1tcy n GLY 22 Ca -0.03 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1tcy n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tcy s ILE 23 N -2.00 4.52 0.81 -0.61 1.01 -0.43 -4.88 121.20 119.62 1tcy s ILE 23 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.26 1tcy s ILE 23 Cb 0.00 -3.22 0.08 0.00 0.01 0.00 0.00 42.46 39.33 1tcy s ILE 23 CO 0.00 0.19 1.10 -0.94 0.00 0.00 0.00 174.94 175.29 1tcy s SER 24 N 1.62 4.11 0.29 3.58 1.04 -1.26 0.02 113.70 123.10 1tcy s SER 24 Ca 0.05 1.89 -0.03 0.00 0.48 0.00 0.00 55.95 58.35 1tcy s SER 24 Cb -0.16 -2.52 0.41 0.00 0.10 0.00 0.00 66.02 63.85 1tcy s SER 24 CO 0.05 -2.30 1.95 0.25 0.98 0.00 0.00 173.24 174.17 1tcy h LEU 25 N -1.31 0.97 -1.45 2.42 6.46 -1.91 -2.33 115.31 118.16 1tcy h LEU 25 Ca -0.44 -0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.33 1tcy h LEU 25 Cb 1.24 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.89 1tcy h LEU 25 CO 0.49 0.72 0.42 0.00 -0.62 0.00 0.00 178.44 179.45 1tcy h ALA 26 N 1.45 1.71 -0.34 1.25 0.00 -1.92 0.44 119.26 121.85 1tcy h ALA 26 Ca 0.30 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1tcy h ALA 26 Cb -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1tcy h ALA 26 CO -0.06 0.21 -0.36 -0.91 0.00 0.00 0.00 179.25 178.12 1tcy h ASN 27 N 0.69 0.83 -0.19 0.00 2.35 -1.74 -0.73 115.58 116.79 1tcy h ASN 27 Ca 0.26 -0.36 -0.10 0.00 -0.55 0.00 0.00 56.30 55.55 1tcy h ASN 27 Cb 0.16 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1tcy h ASN 27 CO -0.07 1.10 -0.20 -0.50 -1.65 0.00 0.00 177.43 176.10 1tcy h TRP 28 N 0.65 0.71 -0.11 1.19 4.06 -1.08 -1.79 115.95 119.57 1tcy h TRP 28 Ca 0.06 -0.15 -0.04 0.00 2.06 0.00 0.00 58.89 60.83 1tcy h TRP 28 Cb 0.91 -0.18 -0.00 0.00 -1.00 0.00 0.00 29.16 28.90 1tcy h TRP 28 CO 0.05 0.79 -0.08 0.52 -3.56 0.00 0.00 178.44 176.16 1tcy h MET 29 N 0.56 0.24 -0.74 0.49 2.86 -0.79 -1.18 114.93 116.37 1tcy h MET 29 Ca 0.09 -0.12 0.12 0.00 -2.06 0.00 0.00 59.70 57.72 1tcy h MET 29 Cb 0.66 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.24 1tcy h MET 29 CO 0.05 0.62 0.34 0.00 1.06 0.00 0.00 176.91 178.98 1tcy h LEU 31 N 0.55 -0.48 -1.46 0.00 5.85 -1.04 -2.25 115.31 116.47 1tcy h LEU 31 Ca 0.38 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.07 1tcy h LEU 31 Cb 0.49 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1tcy h LEU 31 CO -0.33 -0.27 0.36 0.00 -0.34 0.00 0.00 178.44 177.86 1tcy h ALA 32 N -0.12 1.61 0.43 1.25 0.00 -0.96 -0.30 119.26 121.17 1tcy h ALA 32 Ca -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1tcy h ALA 32 Cb 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1tcy h ALA 32 CO 0.10 0.36 -0.36 -0.22 0.00 0.00 0.00 179.25 179.13 1tcy h LYS 33 N 0.74 -0.76 0.00 0.00 3.11 -1.06 -1.23 116.57 117.36 1tcy h LYS 33 Ca 0.20 0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 58.04 1tcy h LYS 33 Cb -0.08 0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.31 1tcy h LYS 33 CO -0.04 -0.51 -0.30 -1.49 -2.81 0.00 0.00 179.45 174.30 1tcy h TRP 34 N -0.79 0.00 0.02 1.91 4.06 -1.22 -0.74 115.95 119.19 1tcy h TRP 34 Ca -0.04 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.84 1tcy h TRP 34 Cb 0.69 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.85 1tcy h TRP 34 CO -0.17 0.25 -0.28 0.93 -3.56 0.00 0.00 178.44 175.61 1tcy h GLU 35 N 0.00 0.16 0.00 0.49 4.39 -0.96 -3.42 114.58 115.24 1tcy h GLU 35 Ca -0.01 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1tcy h GLU 35 Cb 1.19 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1tcy h GLU 35 CO 0.03 0.97 0.00 -1.13 -1.16 0.00 0.00 179.01 177.72 1tcy n SER 36 N -4.48 0.31 -2.12 1.42 3.41 -0.49 -4.84 113.62 106.83 1tcy n SER 36 Ca -0.10 -0.75 -0.17 0.00 -0.26 0.00 0.00 58.87 57.59 1tcy n SER 36 Cb 0.54 0.15 0.01 0.00 -0.26 0.00 0.00 64.21 64.65 1tcy n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tcy n GLY 37 N 0.15 -0.29 2.67 5.00 0.00 -0.28 -2.78 105.19 109.67 1tcy n GLY 37 Ca 0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 1tcy n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tcy n TYR 38 N -4.12 -1.42 -3.88 1.61 4.01 -1.15 -4.79 117.16 107.41 1tcy n TYR 38 Ca -0.15 0.34 -0.35 0.00 -0.16 0.00 0.00 57.90 57.58 1tcy n TYR 38 Cb 0.62 -3.70 -0.14 0.00 -0.31 0.00 0.00 39.34 35.82 1tcy n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1tcy s ASN 39 N -2.69 4.57 0.56 7.72 2.47 -1.12 -1.55 114.94 124.91 1tcy s ASN 39 Ca 0.20 -0.66 0.35 0.00 0.42 0.00 0.00 52.86 53.17 1tcy s ASN 39 Cb -0.09 -1.76 1.49 0.00 -1.45 0.00 0.00 41.25 39.44 1tcy s ASN 39 CO 0.25 -0.11 2.03 0.71 -3.72 0.00 0.00 177.10 176.25 1tcy h THR 40 N 5.91 0.00 -0.27 -5.21 1.35 -1.63 -3.04 112.91 110.02 1tcy h THR 40 Ca -0.35 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1tcy h THR 40 Cb 1.13 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1tcy h THR 40 CO 0.59 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.75 1tcy n ARG 41 N -3.09 2.17 -1.70 4.72 0.00 -1.26 -4.10 116.66 113.39 1tcy n ARG 41 Ca 0.00 -1.76 -0.43 0.00 -0.00 0.00 0.00 57.85 55.66 1tcy n ARG 41 Cb 0.28 -1.46 -0.03 0.00 -0.00 0.00 0.00 32.46 31.25 1tcy n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1tcy n ALA 42 N 0.99 2.39 -2.76 2.89 0.00 -1.15 -4.82 120.51 118.06 1tcy n ALA 42 Ca 0.18 0.41 -0.16 0.00 0.00 0.00 0.00 53.44 53.86 1tcy n ALA 42 Cb 0.49 -2.48 -0.12 0.00 0.00 0.00 0.00 19.45 17.34 1tcy n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1tcy s THR 43 N 1.22 0.86 -0.06 0.00 -4.23 -1.26 -0.98 115.64 111.18 1tcy s THR 43 Ca 0.77 -1.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.14 1tcy s THR 43 Cb -0.55 -0.85 0.03 0.00 1.34 0.00 0.00 72.50 72.47 1tcy s THR 43 CO 0.34 -0.23 0.04 0.21 -0.54 0.00 0.00 174.62 174.44 1tcy s ASN 44 N -1.50 1.45 0.03 3.99 2.47 -0.28 -4.96 114.94 116.15 1tcy s ASN 44 Ca -0.04 -0.05 -0.17 0.00 0.42 0.00 0.00 52.86 53.02 1tcy s ASN 44 Cb -0.09 -0.29 -0.06 0.00 -1.45 0.00 0.00 41.25 39.36 1tcy s ASN 44 CO 0.01 -0.23 0.48 -0.47 -3.72 0.00 0.00 177.10 173.17 1tcy s TYR 45 N 2.08 3.76 -0.53 0.43 5.04 -1.26 -0.38 117.35 126.48 1tcy s TYR 45 Ca 0.05 1.12 -0.00 0.00 -2.44 0.00 0.00 57.07 55.79 1tcy s TYR 45 Cb -0.12 -2.38 0.14 0.00 0.35 0.00 0.00 41.96 39.94 1tcy s TYR 45 CO -0.04 0.62 0.31 -0.80 -1.34 0.00 0.00 175.55 174.30 1tcy s ASN 46 N -1.09 4.94 0.46 4.32 0.01 0.49 -4.96 114.94 119.12 1tcy s ASN 46 Ca 0.26 -2.69 0.18 0.00 -0.71 0.00 0.00 52.86 49.90 1tcy s ASN 46 Cb -0.18 -1.77 1.15 0.00 0.41 0.00 0.00 41.25 40.86 1tcy s ASN 46 CO 0.16 -0.36 1.97 0.00 -1.51 0.00 0.00 177.10 177.36 1tcy h ALA 47 N 7.12 2.19 -0.39 0.60 0.00 -1.96 0.44 119.26 127.26 1tcy h ALA 47 Ca -0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1tcy h ALA 47 Cb 0.96 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1tcy h ALA 47 CO 0.69 -0.35 -0.02 0.78 0.00 0.00 0.00 179.25 180.35 1tcy h GLY 48 N 0.28 0.68 0.00 0.00 0.00 -1.95 -3.28 103.07 98.79 1tcy h GLY 48 Ca 0.29 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1tcy h GLY 48 CO -0.07 0.40 0.00 2.09 0.00 0.00 0.00 176.54 178.97 1tcy n ASP 49 N -4.24 1.25 -1.67 0.19 5.75 -1.01 -5.03 116.55 111.79 1tcy n ASP 49 Ca 0.02 -1.51 -0.15 0.00 -0.01 0.00 0.00 54.79 53.13 1tcy n ASP 49 Cb 0.28 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.35 1tcy n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1tcy n ARG 50 N -0.26 -1.21 -4.20 0.11 1.74 0.11 -4.76 116.66 108.19 1tcy n ARG 50 Ca 0.00 0.79 -0.23 0.00 -0.77 0.00 0.00 57.85 57.64 1tcy n ARG 50 Cb 0.24 -5.12 -0.07 0.00 -1.02 0.00 0.00 32.46 26.49 1tcy n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1tcy s SER 51 N -2.39 4.52 0.05 0.55 1.04 -1.17 -4.45 113.70 111.85 1tcy s SER 51 Ca 0.00 -0.81 0.06 0.00 0.48 0.00 0.00 55.95 55.68 1tcy s SER 51 Cb 0.00 -0.70 -0.03 0.00 0.10 0.00 0.00 66.02 65.40 1tcy s SER 51 CO 0.00 -0.22 -0.17 -0.89 0.98 0.00 0.00 173.24 172.94 1tcy s THR 52 N -2.43 1.33 -0.17 2.02 2.01 -1.26 -0.38 115.64 116.75 1tcy s THR 52 Ca 0.36 -1.18 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 1tcy s THR 52 Cb -0.03 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1tcy s THR 52 CO 0.21 0.00 0.08 -1.81 -0.69 0.00 0.00 174.62 172.42 1tcy s ASP 53 N -1.36 5.80 -0.09 3.53 1.01 0.48 -0.98 116.67 125.06 1tcy s ASP 53 Ca 0.03 0.15 0.04 0.00 0.71 0.00 0.00 52.55 53.49 1tcy s ASP 53 Cb -0.09 -1.97 -0.00 0.00 1.01 0.00 0.00 42.92 41.87 1tcy s ASP 53 CO 0.02 0.21 -0.24 -0.31 0.21 0.00 0.00 175.17 175.06 1tcy s TYR 54 N 0.16 2.55 0.00 4.23 2.02 0.03 -1.12 117.35 125.21 1tcy s TYR 54 Ca 0.06 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 1tcy s TYR 54 Cb -0.12 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 1tcy s TYR 54 CO 0.00 -0.35 0.00 0.41 -1.57 0.00 0.00 175.55 174.04 1tcy n GLY 55 N 3.37 -1.86 0.23 0.71 0.00 -0.16 -1.59 105.19 105.90 1tcy n GLY 55 Ca -0.19 -1.50 0.05 0.00 0.00 0.00 0.00 46.02 44.39 1tcy n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1tcy h ILE 56 N 0.00 1.12 -0.19 -0.61 2.10 -1.71 -1.13 117.51 117.10 1tcy h ILE 56 Ca 0.00 -0.55 0.00 0.00 1.08 0.00 0.00 64.86 65.39 1tcy h ILE 56 Cb 0.00 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 1tcy h ILE 56 CO 0.00 0.16 0.00 0.49 -1.08 0.00 0.00 178.15 177.72 1tcy n PHE 57 N -4.35 0.22 -3.83 2.19 3.72 -1.26 -4.03 117.46 110.12 1tcy n PHE 57 Ca -0.02 -0.11 -0.36 0.00 -0.05 0.00 0.00 57.45 56.91 1tcy n PHE 57 Cb 0.22 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.79 1tcy n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1tcy n GLN 58 N 1.38 -1.07 -2.89 -1.08 1.13 -0.43 -4.93 117.38 109.49 1tcy n GLN 58 Ca 0.16 0.33 -0.41 0.00 -1.94 0.00 0.00 57.00 55.15 1tcy n GLN 58 Cb 0.60 -3.67 -0.04 0.00 0.11 0.00 0.00 30.24 27.23 1tcy n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1tcy s ILE 59 N -3.53 4.80 0.20 5.09 1.01 -0.62 -4.51 121.20 123.64 1tcy s ILE 59 Ca 0.44 1.77 -0.26 0.00 0.00 0.00 0.00 60.65 62.60 1tcy s ILE 59 Cb -0.19 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.02 1tcy s ILE 59 CO 0.90 0.28 0.82 0.21 0.00 0.00 0.00 174.94 177.15 1tcy s ASN 60 N 0.40 7.39 0.01 3.58 3.84 -1.26 -0.79 114.94 128.11 1tcy s ASN 60 Ca 0.43 1.70 0.21 0.00 0.21 0.00 0.00 52.86 55.41 1tcy s ASN 60 Cb -0.20 -2.52 0.91 0.00 -0.55 0.00 0.00 41.25 38.89 1tcy s ASN 60 CO 0.24 0.15 1.69 -1.54 -2.79 0.00 0.00 177.10 174.85 1tcy n SER 61 N 1.35 0.03 0.03 -4.21 3.41 -0.15 -1.83 113.62 112.25 1tcy n SER 61 Ca -0.04 0.51 -0.19 0.00 -0.26 0.00 0.00 58.87 58.89 1tcy n SER 61 Cb 0.49 -0.51 -0.12 0.00 -0.26 0.00 0.00 64.21 63.80 1tcy n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1tcy h ARG 62 N 0.00 0.40 0.00 4.33 2.43 -1.85 -3.41 114.38 116.28 1tcy h ARG 62 Ca 0.00 -0.51 -0.31 0.00 -0.81 0.00 0.00 59.98 58.35 1tcy h ARG 62 Cb 0.38 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.03 1tcy h ARG 62 CO 0.00 1.18 -2.17 1.19 -1.51 0.00 0.00 179.97 178.66 1tcy n PHE 63 N -4.14 0.00 -0.05 2.20 3.72 -1.21 -0.07 117.46 117.91 1tcy n PHE 63 Ca -0.12 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.19 1tcy n PHE 63 Cb 0.76 -0.84 -0.04 0.00 -0.94 0.00 0.00 39.48 38.42 1tcy n PHE 63 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1tcy n TRP 64 N -2.63 0.00 -4.44 1.38 7.02 -0.76 -0.99 117.44 117.02 1tcy n TRP 64 Ca -0.28 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 55.95 1tcy n TRP 64 Cb 1.06 -0.35 -0.11 0.00 -2.42 0.00 0.00 31.31 29.49 1tcy n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1tcy s ASN 66 N -3.15 5.67 0.00 0.00 2.47 -0.13 -4.39 114.94 115.42 1tcy s ASN 66 Ca 0.26 -0.01 0.10 0.00 0.42 0.00 0.00 52.86 53.63 1tcy s ASN 66 Cb -0.06 -2.01 0.11 0.00 -1.45 0.00 0.00 41.25 37.83 1tcy s ASN 66 CO 0.13 0.05 0.88 -0.90 -3.72 0.00 0.00 177.10 173.54 1tcy n ASP 67 N 4.38 2.00 0.00 -4.21 5.68 -1.26 -0.85 116.55 122.29 1tcy n ASP 67 Ca -0.16 -1.51 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 1tcy n ASP 67 Cb 0.52 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1tcy n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tcy n GLY 68 N 0.57 2.81 0.91 6.12 0.00 -1.26 -4.78 105.19 109.56 1tcy n GLY 68 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 1tcy n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1tcy n LYS 69 N -1.20 2.23 -3.56 1.61 2.85 -1.26 -4.96 118.16 113.86 1tcy n LYS 69 Ca 0.00 -2.04 -0.37 0.00 -1.05 0.00 0.00 58.31 54.85 1tcy n LYS 69 Cb 0.00 -1.40 -0.08 0.00 -0.65 0.00 0.00 35.03 32.90 1tcy n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1tcy s THR 70 N -1.24 5.31 0.47 0.58 2.01 -1.26 -4.97 115.64 116.53 1tcy s THR 70 Ca 0.31 0.40 -0.25 0.00 0.31 0.00 0.00 61.69 62.46 1tcy s THR 70 Cb 0.18 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 69.02 1tcy s THR 70 CO 0.25 0.33 1.40 -2.65 -0.69 0.00 0.00 174.62 173.26 1tcy n PRO 71 N 4.14 2.10 -1.88 4.92 -0.02 -1.26 -3.30 135.00 139.69 1tcy n PRO 71 Ca -0.13 0.75 -0.19 0.00 -2.02 0.00 0.00 63.50 61.91 1tcy n PRO 71 Cb 0.52 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 1tcy n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tcy n GLY 72 N 0.65 0.97 3.74 -1.23 0.00 -1.26 -4.90 105.19 103.15 1tcy n GLY 72 Ca 0.06 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1tcy n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tcy s ALA 73 N -2.82 3.59 -0.21 4.61 0.00 -1.21 -4.84 121.76 120.89 1tcy s ALA 73 Ca 0.00 1.26 0.14 0.00 0.00 0.00 0.00 51.96 53.35 1tcy s ALA 73 Cb 0.00 -3.53 -0.22 0.00 0.00 0.00 0.00 23.12 19.37 1tcy s ALA 73 CO 0.00 -0.67 0.00 0.28 0.00 0.00 0.00 175.76 175.37 1tcy n VAL 74 N 2.36 1.36 -3.86 0.00 0.31 0.90 -5.01 118.33 114.39 1tcy n VAL 74 Ca 0.06 -0.76 -0.25 0.00 -0.01 0.00 0.00 64.34 63.37 1tcy n VAL 74 Cb 0.41 -0.69 -0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1tcy n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1tcy n ASN 75 N -2.84 -1.18 0.26 4.52 5.15 -1.15 -4.92 115.26 115.10 1tcy n ASN 75 Ca -0.35 -0.97 0.10 0.00 -0.60 0.00 0.00 54.58 52.77 1tcy n ASN 75 Cb 1.10 -3.32 0.72 0.00 -0.53 0.00 0.00 39.78 37.74 1tcy n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1tcy h ALA 76 N 0.84 1.90 -0.00 5.20 0.00 -1.03 -0.38 119.26 125.79 1tcy h ALA 76 Ca -0.63 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1tcy h ALA 76 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1tcy h ALA 76 CO 0.59 -0.03 -0.07 0.00 0.00 0.00 0.00 179.25 179.73 1tcy n HIS 78 N -1.36 -1.91 -4.04 0.00 -0.00 -0.15 -4.97 115.22 102.78 1tcy n HIS 78 Ca 0.10 0.77 -0.13 0.00 -0.00 0.00 0.00 57.72 58.45 1tcy n HIS 78 Cb 0.30 -4.14 -0.13 0.00 -0.00 0.00 0.00 29.99 26.03 1tcy n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1tcy s LEU 79 N -6.59 2.12 0.30 2.41 1.43 -1.26 -5.07 118.68 112.02 1tcy s LEU 79 Ca 0.11 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 1tcy s LEU 79 Cb -0.03 -0.12 -0.10 0.00 0.03 0.00 0.00 46.19 45.97 1tcy s LEU 79 CO 0.82 -0.09 1.14 -0.55 0.23 0.00 0.00 176.35 177.90 1tcy s SER 80 N -0.78 7.14 0.61 2.29 0.15 -1.26 -0.96 113.70 120.90 1tcy s SER 80 Ca -0.05 2.35 0.36 0.00 0.70 0.00 0.00 55.95 59.31 1tcy s SER 80 Cb -0.05 -2.63 1.99 0.00 -1.71 0.00 0.00 66.02 63.61 1tcy s SER 80 CO -0.00 -0.24 2.25 0.00 1.20 0.00 0.00 173.24 176.45 1tcy h SER 82 N 0.00 0.00 0.55 0.00 4.64 -1.92 -1.88 113.55 114.94 1tcy h SER 82 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1tcy h SER 82 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1tcy h SER 82 CO 0.00 0.03 -0.11 0.00 -0.87 0.00 0.00 176.83 175.88 1tcy h ALA 83 N 1.97 1.15 -0.14 5.18 0.00 -1.68 -1.74 119.26 124.00 1tcy h ALA 83 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1tcy h ALA 83 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1tcy h ALA 83 CO 0.00 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.67 1tcy n LEU 84 N -3.44 1.28 -0.69 0.00 4.77 -0.71 -3.62 117.00 114.59 1tcy n LEU 84 Ca -0.01 -0.54 0.06 0.00 -0.03 0.00 0.00 56.01 55.49 1tcy n LEU 84 Cb 0.27 -0.09 0.18 0.00 -2.33 0.00 0.00 43.42 41.46 1tcy n LEU 84 CO 0.29 0.27 0.65 0.18 -1.33 0.00 0.00 177.39 177.45 1tcy n LEU 85 N 0.07 3.18 -4.85 2.23 4.77 -0.66 -3.63 117.00 118.11 1tcy n LEU 85 Ca 0.15 -2.31 -0.32 0.00 -0.03 0.00 0.00 56.01 53.51 1tcy n LEU 85 Cb 0.26 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1tcy n LEU 85 CO 0.12 0.71 0.70 -1.10 -1.33 0.00 0.00 177.39 176.49 1tcy s GLN 86 N -1.55 3.67 0.33 3.23 -0.21 -1.24 -4.62 119.66 119.26 1tcy s GLN 86 Ca 0.28 0.88 0.11 0.00 0.02 0.00 0.00 55.36 56.64 1tcy s GLN 86 Cb 0.18 -2.09 0.57 0.00 1.00 0.00 0.00 33.01 32.67 1tcy s GLN 86 CO 0.13 -0.51 1.74 -0.44 -2.12 0.00 0.00 175.29 174.10 1tcy h ASP 87 N 0.20 0.06 -3.19 5.90 3.32 -1.93 -3.41 116.42 117.37 1tcy h ASP 87 Ca -0.45 -0.03 -0.59 0.00 0.02 0.00 0.00 57.03 55.99 1tcy h ASP 87 Cb 1.19 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.65 1tcy h ASP 87 CO 0.61 0.50 0.63 0.21 -1.72 0.00 0.00 179.24 179.47 1tcy s ASN 88 N -6.90 6.98 -0.04 6.45 2.47 -1.26 -4.87 114.94 117.77 1tcy s ASN 88 Ca -0.03 1.22 0.17 0.00 0.42 0.00 0.00 52.86 54.64 1tcy s ASN 88 Cb 0.14 -2.49 0.55 0.00 -1.45 0.00 0.00 41.25 38.00 1tcy s ASN 88 CO 0.75 -0.58 1.45 2.30 -3.72 0.00 0.00 177.10 177.29 1tcy n ILE 89 N 5.24 1.11 -0.26 -5.21 -5.35 -1.26 -4.51 119.36 109.12 1tcy n ILE 89 Ca 0.09 -0.86 0.03 0.00 -0.27 0.00 0.00 62.75 61.73 1tcy n ILE 89 Cb 0.47 0.23 0.25 0.00 -1.74 0.00 0.00 39.64 38.85 1tcy n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1tcy h ALA 90 N 3.98 1.52 -0.24 -1.28 0.00 -1.94 -0.17 119.26 121.12 1tcy h ALA 90 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1tcy h ALA 90 Cb 0.99 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1tcy h ALA 90 CO 0.09 0.38 -0.60 -0.44 0.00 0.00 0.00 179.25 178.68 1tcy h ASP 91 N 1.00 0.90 -0.62 0.00 3.32 -1.86 -1.39 116.42 117.76 1tcy h ASP 91 Ca 0.34 -0.51 0.01 0.00 0.02 0.00 0.00 57.03 56.90 1tcy h ASP 91 Cb 0.10 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1tcy h ASP 91 CO -0.11 1.29 0.41 0.00 -1.72 0.00 0.00 179.24 179.11 1tcy h ALA 92 N 0.72 0.78 -0.46 3.45 0.00 -1.69 -1.20 119.26 120.86 1tcy h ALA 92 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1tcy h ALA 92 Cb 1.20 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1tcy h ALA 92 CO 0.13 0.21 0.23 0.28 0.00 0.00 0.00 179.25 180.09 1tcy h VAL 93 N 0.83 1.18 -0.38 0.00 2.07 -0.98 0.14 116.25 119.12 1tcy h VAL 93 Ca 0.23 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1tcy h VAL 93 Cb -0.09 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1tcy h VAL 93 CO -0.05 0.20 0.04 0.00 0.02 0.00 0.00 177.57 177.78 1tcy h ALA 94 N 1.07 1.36 -0.10 1.67 0.00 -0.90 -1.47 119.26 120.90 1tcy h ALA 94 Ca 0.16 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1tcy h ALA 94 Cb 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1tcy h ALA 94 CO -0.02 0.45 -0.73 0.00 0.00 0.00 0.00 179.25 178.94 1tcy h ALA 96 N 0.48 1.78 -0.57 0.00 0.00 -0.38 -1.22 119.26 119.35 1tcy h ALA 96 Ca -0.06 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1tcy h ALA 96 Cb 1.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1tcy h ALA 96 CO 0.15 0.10 -0.02 0.87 0.00 0.00 0.00 179.25 180.35 1tcy h LYS 97 N 0.66 1.03 -0.16 0.00 1.57 -1.24 -2.79 116.57 115.64 1tcy h LYS 97 Ca 0.30 -0.34 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1tcy h LYS 97 Cb 0.31 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1tcy h LYS 97 CO -0.09 1.03 0.04 -0.09 -0.57 0.00 0.00 179.45 179.77 1tcy h ARG 98 N 0.92 0.11 -0.48 3.15 9.65 -1.03 -2.83 114.38 123.86 1tcy h ARG 98 Ca 0.16 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.13 1tcy h ARG 98 Cb 0.58 -0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 29.06 1tcy h ARG 98 CO 0.03 0.07 -0.00 0.28 2.80 0.00 0.00 179.97 183.15 1tcy h VAL 99 N 0.11 0.62 0.00 0.20 2.07 -1.06 -2.53 116.25 115.66 1tcy h VAL 99 Ca 0.07 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1tcy h VAL 99 Cb 0.06 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1tcy h VAL 99 CO -0.09 0.02 0.00 1.33 0.02 0.00 0.00 177.57 178.85 1tcy n VAL 100 N -5.23 0.00 0.72 2.57 0.24 -1.07 -2.59 118.33 112.97 1tcy n VAL 100 Ca 0.05 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.48 1tcy n VAL 100 Cb 0.26 -0.51 0.48 0.00 -1.47 0.00 0.00 33.84 32.60 1tcy n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1tcy n ARG 101 N -1.07 0.15 -2.01 7.34 1.74 -0.95 -4.22 116.66 117.64 1tcy n ARG 101 Ca 0.21 0.17 -0.33 0.00 -0.77 0.00 0.00 57.85 57.12 1tcy n ARG 101 Cb 0.14 -1.69 0.02 0.00 -1.02 0.00 0.00 32.46 29.91 1tcy n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1tcy s ASP 102 N -3.88 5.52 0.40 0.55 1.11 -1.07 -4.94 116.67 114.35 1tcy s ASP 102 Ca 0.11 1.99 0.14 0.00 0.18 0.00 0.00 52.55 54.97 1tcy s ASP 102 Cb 0.14 -2.55 0.98 0.00 1.07 0.00 0.00 42.92 42.56 1tcy s ASP 102 CO 0.53 -1.35 1.87 -0.65 1.18 0.00 0.00 175.17 176.75 1tcy h PRO 103 N 0.52 0.50 0.00 8.23 0.11 -1.89 -1.04 132.00 138.43 1tcy h PRO 103 Ca -0.48 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1tcy h PRO 103 Cb 1.24 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1tcy h PRO 103 CO 0.56 0.33 -0.16 1.96 -0.21 0.00 0.00 178.00 180.48 1tcy h GLN 104 N 0.51 0.00 0.00 1.05 7.50 -1.91 -3.48 115.11 118.78 1tcy h GLN 104 Ca 0.44 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.59 1tcy h GLN 104 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.46 1tcy h GLN 104 CO -0.18 0.16 0.00 0.41 -1.50 0.00 0.00 178.83 177.72 1tcy n GLY 105 N -0.98 2.83 0.13 3.46 0.00 -0.40 -2.21 105.19 108.03 1tcy n GLY 105 Ca -0.02 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1tcy n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1tcy n ILE 106 N 0.00 0.81 0.24 -0.61 3.06 -1.26 -2.01 119.36 119.59 1tcy n ILE 106 Ca 0.00 0.20 0.07 0.00 -2.50 0.00 0.00 62.75 60.52 1tcy n ILE 106 Cb 0.00 -1.12 0.35 0.00 0.54 0.00 0.00 39.64 39.40 1tcy n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1tcy n ARG 107 N -2.24 0.09 0.29 9.51 1.74 -0.94 -2.12 116.66 122.98 1tcy n ARG 107 Ca 0.02 0.47 0.14 0.00 -0.77 0.00 0.00 57.85 57.71 1tcy n ARG 107 Cb 0.24 -1.72 0.85 0.00 -1.02 0.00 0.00 32.46 30.82 1tcy n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tcy h ALA 108 N 2.16 1.64 -2.75 7.54 0.00 -1.55 -3.37 119.26 122.93 1tcy h ALA 108 Ca 0.00 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1tcy h ALA 108 Cb 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.75 1tcy h ALA 108 CO 0.00 -0.01 -0.42 -1.58 0.00 0.00 0.00 179.25 177.23 1tcy s TRP 109 N -4.73 3.22 0.19 0.00 0.51 -0.90 -4.96 118.94 112.26 1tcy s TRP 109 Ca -0.05 0.01 -0.13 0.00 -2.12 0.00 0.00 56.10 53.82 1tcy s TRP 109 Cb 0.16 -2.50 0.10 0.00 -0.81 0.00 0.00 33.47 30.43 1tcy s TRP 109 CO 0.58 -0.29 1.85 0.28 -0.51 0.00 0.00 176.95 178.85 1tcy h VAL 110 N 5.45 1.13 -0.73 4.03 2.07 -1.87 -1.74 116.25 124.59 1tcy h VAL 110 Ca -0.32 -0.27 0.19 0.00 0.82 0.00 0.00 66.70 67.12 1tcy h VAL 110 Cb 1.17 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1tcy h VAL 110 CO 0.62 0.14 0.51 0.00 0.02 0.00 0.00 177.57 178.86 1tcy h ALA 111 N 1.23 2.47 -0.52 1.67 0.00 -1.94 0.35 119.26 122.52 1tcy h ALA 111 Ca 0.22 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1tcy h ALA 111 Cb -0.06 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1tcy h ALA 111 CO -0.06 -0.68 -0.02 2.35 0.00 0.00 0.00 179.25 180.84 1tcy h TRP 112 N 0.15 1.02 -0.78 0.00 7.01 -1.63 -1.30 115.95 120.42 1tcy h TRP 112 Ca 0.36 -0.18 -0.05 0.00 2.11 0.00 0.00 58.89 61.13 1tcy h TRP 112 Cb 1.19 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.95 1tcy h TRP 112 CO -0.00 0.95 0.31 0.00 -2.79 0.00 0.00 178.44 176.90 1tcy h ARG 113 N 0.80 1.16 -0.10 2.65 3.08 -0.95 0.15 114.38 121.17 1tcy h ARG 113 Ca 0.15 -0.21 -0.16 0.00 0.07 0.00 0.00 59.98 59.83 1tcy h ARG 113 Cb 0.55 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.42 1tcy h ARG 113 CO 0.03 0.94 -0.55 -0.91 -1.07 0.00 0.00 179.97 178.41 1tcy h ASN 114 N 1.13 0.66 -0.00 7.04 2.35 -1.19 -3.36 115.58 122.20 1tcy h ASN 114 Ca 0.26 -0.65 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1tcy h ASN 114 Cb 0.21 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1tcy h ASN 114 CO -0.02 1.20 -0.18 0.54 -1.65 0.00 0.00 177.43 177.32 1tcy n ARG 115 N -4.19 3.13 0.00 0.81 5.12 -0.50 -4.88 116.66 116.15 1tcy n ARG 115 Ca -0.08 -0.34 0.00 0.00 -1.93 0.00 0.00 57.85 55.50 1tcy n ARG 115 Cb 0.63 -0.91 0.00 0.00 -1.16 0.00 0.00 32.46 31.01 1tcy n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1tcy n GLN 117 N -2.05 2.63 -2.24 0.00 7.27 -0.21 -2.44 117.38 120.34 1tcy n GLN 117 Ca 0.00 0.95 -0.16 0.00 0.07 0.00 0.00 57.00 57.86 1tcy n GLN 117 Cb 0.32 -2.80 -0.01 0.00 2.41 0.00 0.00 30.24 30.16 1tcy n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1tcy n ASN 118 N 4.35 -4.74 -4.37 1.69 3.02 -1.26 -4.95 115.26 109.01 1tcy n ASN 118 Ca 0.17 0.01 -0.20 0.00 -0.03 0.00 0.00 54.58 54.53 1tcy n ASN 118 Cb 0.34 -3.85 -0.10 0.00 -0.61 0.00 0.00 39.78 35.56 1tcy n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1tcy s ARG 119 N -4.69 1.39 -0.24 3.52 0.52 -1.02 -5.08 118.95 113.34 1tcy s ARG 119 Ca 0.00 -1.59 -0.29 0.00 -0.52 0.00 0.00 55.73 53.33 1tcy s ARG 119 Cb 0.00 -1.29 -0.00 0.00 0.52 0.00 0.00 34.95 34.18 1tcy s ARG 119 CO 0.00 0.23 1.26 0.34 0.02 0.00 0.00 175.30 177.15 1tcy s ASP 120 N -3.24 6.82 -0.15 0.23 2.15 -1.26 -4.88 116.67 116.33 1tcy s ASP 120 Ca 0.23 1.40 0.18 0.00 0.43 0.00 0.00 52.55 54.78 1tcy s ASP 120 Cb -0.02 -2.54 0.37 0.00 -0.30 0.00 0.00 42.92 40.43 1tcy s ASP 120 CO 0.08 -0.92 1.24 1.33 -0.17 0.00 0.00 175.17 176.74 1tcy n VAL 121 N 5.81 2.04 0.21 1.11 0.24 -1.26 -4.73 118.33 121.75 1tcy n VAL 121 Ca 0.14 -2.24 0.10 0.00 -2.04 0.00 0.00 64.34 60.30 1tcy n VAL 121 Cb 0.46 -0.25 0.28 0.00 -1.47 0.00 0.00 33.84 32.86 1tcy n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1tcy h ARG 122 N 0.59 0.00 0.00 7.34 2.47 -1.92 -2.50 114.38 120.36 1tcy h ARG 122 Ca 0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1tcy h ARG 122 Cb 1.15 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1tcy h ARG 122 CO 0.08 0.17 -0.01 -0.56 0.56 0.00 0.00 179.97 180.20 1tcy h GLN 123 N 0.00 0.00 0.00 0.04 -0.00 -1.97 -2.03 115.11 111.14 1tcy h GLN 123 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.59 1tcy h GLN 123 Cb 0.96 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.43 1tcy h GLN 123 CO 0.02 0.01 -0.27 1.88 -0.00 0.00 0.00 178.83 180.48 1tcy h TYR 124 N 0.00 0.00 -0.03 0.06 0.05 -1.79 -3.22 116.97 112.03 1tcy h TYR 124 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1tcy h TYR 124 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1tcy h TYR 124 CO 0.00 0.27 0.00 1.33 -1.05 0.00 0.00 178.16 178.71 1tcy n VAL 125 N -3.45 0.06 -2.14 -2.88 0.24 -0.79 -4.86 118.33 104.52 1tcy n VAL 125 Ca -0.00 -0.53 -0.42 0.00 -2.04 0.00 0.00 64.34 61.35 1tcy n VAL 125 Cb 0.45 1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 33.96 1tcy n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tcy s GLN 126 N -0.86 4.30 0.00 7.34 -2.07 -1.08 -2.07 119.66 125.21 1tcy s GLN 126 Ca 0.13 2.11 0.00 0.00 -1.82 0.00 0.00 55.36 55.77 1tcy s GLN 126 Cb 0.09 -3.30 0.00 0.00 -1.09 0.00 0.00 33.01 28.70 1tcy s GLN 126 CO 0.13 -0.49 0.00 0.41 -1.32 0.00 0.00 175.29 174.02 1tcy n GLY 127 N 3.58 1.14 0.01 2.60 0.00 -1.26 -4.90 105.19 106.36 1tcy n GLY 127 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1tcy n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tcy n GLY 129 N 1.48 -0.15 0.00 0.00 0.00 -1.26 -4.86 105.19 100.40 1tcy n GLY 129 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1tcy n GLY 129 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87