#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s s ARG 3 N 0.00 4.26 -0.65 0.54 3.52 -1.26 -5.04 118.95 120.33 2x9s s ARG 3 Ca 0.00 0.81 0.06 0.00 -0.13 0.00 0.00 55.73 56.47 2x9s s ARG 3 Cb 0.00 -3.20 0.21 0.00 -1.56 0.00 0.00 34.95 30.39 2x9s s ARG 3 CO 0.00 0.60 0.60 0.00 -0.81 0.00 0.00 175.30 175.69 2x9s n ALA 4 N 1.58 3.63 -1.64 6.12 0.00 -1.26 -5.09 120.51 123.86 2x9s n ALA 4 Ca -0.09 -4.51 -0.39 0.00 0.00 0.00 0.00 53.44 48.45 2x9s n ALA 4 Cb 0.50 -0.95 0.04 0.00 0.00 0.00 0.00 19.45 19.04 2x9s n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2x9s n LYS 5 N 1.48 1.21 -0.33 0.00 2.85 -1.26 -4.84 118.16 117.26 2x9s n LYS 5 Ca 0.25 0.45 0.04 0.00 -1.05 0.00 0.00 58.31 58.00 2x9s n LYS 5 Cb 0.39 -2.20 0.12 0.00 -0.65 0.00 0.00 35.03 32.69 2x9s n LYS 5 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2x9s h THR 6 N 1.02 0.07 0.00 0.58 2.02 -2.05 -3.43 112.91 111.12 2x9s h THR 6 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2x9s h THR 6 Cb 1.34 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2x9s h THR 6 CO 0.54 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.04 2x9s n GLY 7 N -1.58 0.72 0.00 2.16 0.00 -1.26 -3.09 105.19 102.13 2x9s n GLY 7 Ca 0.14 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.67 2x9s n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2x9s n VAL 8 N 0.00 0.00 -0.35 1.61 3.14 -1.26 -4.83 118.33 116.63 2x9s n VAL 8 Ca 0.00 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.42 2x9s n VAL 8 Cb 0.00 -0.54 0.11 0.00 -1.06 0.00 0.00 33.84 32.35 2x9s n VAL 8 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2x9s h VAL 9 N 0.00 0.02 -0.01 1.55 2.07 -1.91 -2.53 116.25 115.43 2x9s h VAL 9 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2x9s h VAL 9 Cb 0.65 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2x9s h VAL 9 CO 0.00 0.00 0.00 -0.09 0.02 0.00 0.00 177.57 177.50 2x9s h ARG 10 N -0.00 0.02 -0.88 1.57 2.43 -1.88 -3.00 114.38 112.64 2x9s h ARG 10 Ca 0.44 -0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.80 2x9s h ARG 10 Cb 0.69 -0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.12 2x9s h ARG 10 CO -1.00 0.30 0.41 -0.09 -1.51 0.00 0.00 179.97 178.08 2x9s h ARG 11 N -0.26 0.47 -0.63 0.20 2.43 -1.79 -0.84 114.38 113.95 2x9s h ARG 11 Ca 0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2x9s h ARG 11 Cb 0.29 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 2x9s h ARG 11 CO 0.00 0.31 0.26 0.00 -1.51 0.00 0.00 179.97 179.03 2x9s h ARG 12 N 0.48 0.94 -0.42 0.20 3.08 -1.44 0.34 114.38 117.57 2x9s h ARG 12 Ca 0.52 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 60.33 2x9s h ARG 12 Cb 0.91 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 2x9s h ARG 12 CO -0.47 0.79 -0.08 0.87 -1.07 0.00 0.00 179.97 180.01 2x9s h LYS 13 N 0.88 0.72 -0.29 0.04 1.79 -1.10 -0.10 116.57 118.51 2x9s h LYS 13 Ca 0.21 -0.22 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 2x9s h LYS 13 Cb 0.19 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2x9s h LYS 13 CO -0.02 0.78 -0.38 0.45 -1.08 0.00 0.00 179.45 179.21 2x9s h HIS 14 N 0.66 0.79 -0.20 -1.35 3.86 -0.74 -2.56 115.15 115.62 2x9s h HIS 14 Ca 0.12 -0.22 -0.04 0.00 -1.16 0.00 0.00 60.37 59.06 2x9s h HIS 14 Cb 0.52 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2x9s h HIS 14 CO 0.02 0.94 -0.05 0.87 0.86 0.00 0.00 177.93 180.58 2x9s h LYS 15 N 0.55 0.38 -0.70 2.45 1.57 -0.49 -2.17 116.57 118.16 2x9s h LYS 15 Ca 0.05 -0.15 0.15 0.00 -1.87 0.00 0.00 60.65 58.83 2x9s h LYS 15 Cb 0.90 -0.02 -0.11 0.00 0.08 0.00 0.00 32.23 33.08 2x9s h LYS 15 CO 0.08 0.64 0.12 -0.22 -0.57 0.00 0.00 179.45 179.50 2x9s h LYS 16 N 0.10 0.21 -0.09 3.15 3.64 -0.88 0.79 116.57 123.50 2x9s h LYS 16 Ca 0.05 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.20 2x9s h LYS 16 Cb 0.50 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2x9s h LYS 16 CO 0.02 0.14 -0.80 0.82 -2.27 0.00 0.00 179.45 177.36 2x9s h ILE 17 N 0.22 1.30 -0.69 2.00 2.04 -1.42 -3.12 117.51 117.85 2x9s h ILE 17 Ca 0.39 -2.04 0.02 0.00 1.00 0.00 0.00 64.86 64.23 2x9s h ILE 17 Cb 0.66 2.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.90 2x9s h ILE 17 CO -0.52 0.63 0.45 -0.07 0.00 0.00 0.00 178.15 178.64 2x9s h LEU 18 N 0.37 0.76 -1.21 1.44 3.38 -0.62 -0.60 115.31 118.83 2x9s h LEU 18 Ca -0.08 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2x9s h LEU 18 Cb 1.45 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 2x9s h LEU 18 CO 0.16 0.54 0.45 0.50 0.09 0.00 0.00 178.44 180.18 2x9s h LYS 19 N 0.90 0.99 0.00 1.13 3.64 -0.86 -0.35 116.57 122.01 2x9s h LYS 19 Ca 0.26 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2x9s h LYS 19 Cb -0.05 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.55 2x9s h LYS 19 CO -0.06 0.69 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.59 2x9s h LEU 20 N 1.01 0.00 -1.04 5.20 -0.00 -1.08 -2.86 115.31 116.53 2x9s h LEU 20 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 2x9s h LEU 20 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 2x9s h LEU 20 CO -0.05 0.14 0.00 0.00 -0.00 0.00 0.00 178.44 178.53 2x9s n ALA 21 N -2.17 2.54 -1.62 1.53 0.00 -0.17 -4.94 120.51 115.66 2x9s n ALA 21 Ca 0.01 -0.49 -0.49 0.00 0.00 0.00 0.00 53.44 52.46 2x9s n ALA 21 Cb 0.40 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 2x9s n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2x9s n LYS 22 N 0.25 1.59 0.00 0.00 4.76 -1.01 -1.87 118.16 121.88 2x9s n LYS 22 Ca 0.17 0.57 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 2x9s n LYS 22 Cb 0.33 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 31.27 2x9s n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2x9s n GLY 23 N 2.74 2.55 3.65 0.72 0.00 -1.26 -5.07 105.19 108.52 2x9s n GLY 23 Ca 0.17 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2x9s n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2x9s n TYR 24 N 0.00 0.78 -2.69 1.61 0.53 -0.78 -4.98 117.16 111.62 2x9s n TYR 24 Ca 0.00 0.39 -0.39 0.00 -1.02 0.00 0.00 57.90 56.88 2x9s n TYR 24 Cb 0.00 -2.03 -0.06 0.00 -1.03 0.00 0.00 39.34 36.23 2x9s n TYR 24 CO 0.00 0.00 0.00 -0.46 -1.02 0.00 0.00 176.86 175.38 2x9s s TRP 25 N -2.35 3.73 0.00 -0.72 -0.11 -1.26 -4.19 118.94 114.04 2x9s s TRP 25 Ca 0.69 1.80 0.00 0.00 1.22 0.00 0.00 56.10 59.81 2x9s s TRP 25 Cb -0.26 -3.03 0.00 0.00 -1.50 0.00 0.00 33.47 28.68 2x9s s TRP 25 CO 0.56 0.07 0.00 0.41 -4.62 0.00 0.00 176.95 173.37 2x9s n GLY 26 N 0.97 3.01 0.04 5.86 0.00 -1.26 -0.96 105.19 112.85 2x9s n GLY 26 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.08 2x9s n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x9s n LEU 27 N 0.00 0.19 0.09 0.99 4.77 -1.26 -2.66 117.00 119.11 2x9s n LEU 27 Ca 0.00 0.55 0.09 0.00 -0.03 0.00 0.00 56.01 56.62 2x9s n LEU 27 Cb 0.00 -0.52 0.40 0.00 -2.33 0.00 0.00 43.42 40.97 2x9s n LEU 27 CO 0.00 -0.34 0.77 0.54 -1.33 0.00 0.00 177.39 177.03 2x9s n ARG 28 N -1.71 0.11 0.00 3.23 1.74 -0.13 -0.74 116.66 119.15 2x9s n ARG 28 Ca 0.03 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 2x9s n ARG 28 Cb 0.19 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 2x9s n ARG 28 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2x9s n SER 29 N -1.95 0.60 -0.02 0.55 3.41 -1.09 -3.58 113.62 111.54 2x9s n SER 29 Ca 0.02 -0.82 -0.02 0.00 -0.26 0.00 0.00 58.87 57.79 2x9s n SER 29 Cb 0.15 0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 2x9s n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2x9s n LYS 30 N -0.30 2.84 -3.13 4.33 4.76 -0.92 -4.81 118.16 120.94 2x9s n LYS 30 Ca 0.00 -0.01 -0.44 0.00 -2.87 0.00 0.00 58.31 54.99 2x9s n LYS 30 Cb 0.02 -1.12 -0.05 0.00 -1.84 0.00 0.00 35.03 32.04 2x9s n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2x9s s SER 31 N -3.42 6.19 0.00 4.39 0.15 0.08 -4.92 113.70 116.17 2x9s s SER 31 Ca -0.02 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.33 2x9s s SER 31 Cb 0.02 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2x9s s SER 31 CO 0.19 -1.05 0.24 2.22 1.20 0.00 0.00 173.24 176.04 2x9s n PHE 32 N 6.27 0.00 0.00 3.44 -1.74 -1.26 0.16 117.46 124.33 2x9s n PHE 32 Ca -0.09 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.80 2x9s n PHE 32 Cb 0.43 -0.30 0.00 0.00 1.52 0.00 0.00 39.48 41.13 2x9s n PHE 32 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 2x9s n ARG 33 N 2.37 0.00 0.03 3.97 0.63 -1.26 -4.79 116.66 117.60 2x9s n ARG 33 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 2x9s n ARG 33 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 2x9s n ARG 33 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2x9s h LYS 34 N 0.00 0.00 -0.33 -0.14 1.79 -0.51 -3.10 116.57 114.27 2x9s h LYS 34 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2x9s h LYS 34 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2x9s h LYS 34 CO 0.00 0.63 0.12 0.00 -1.08 0.00 0.00 179.45 179.12 2x9s h ALA 35 N 1.10 0.43 -0.27 3.86 0.00 -1.28 -0.96 119.26 122.14 2x9s h ALA 35 Ca -0.15 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.66 2x9s h ALA 35 Cb 1.83 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 2x9s h ALA 35 CO 0.09 0.04 0.04 -0.09 0.00 0.00 0.00 179.25 179.33 2x9s h ARG 36 N 0.38 0.13 -0.62 0.00 2.43 -1.78 0.16 114.38 115.08 2x9s h ARG 36 Ca 0.11 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 2x9s h ARG 36 Cb 0.21 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 2x9s h ARG 36 CO -0.01 0.09 0.35 0.93 -1.51 0.00 0.00 179.97 179.82 2x9s h GLU 37 N 0.14 0.63 -0.30 0.20 5.08 -1.45 -1.72 114.58 117.16 2x9s h GLU 37 Ca 0.13 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2x9s h GLU 37 Cb 0.14 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2x9s h GLU 37 CO -0.18 0.42 0.11 1.15 -1.00 0.00 0.00 179.01 179.50 2x9s h THR 38 N 0.65 0.92 0.00 1.13 2.02 -0.22 -2.58 112.91 114.84 2x9s h THR 38 Ca 0.27 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.34 2x9s h THR 38 Cb 0.15 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2x9s h THR 38 CO -0.16 0.04 -0.13 -0.07 0.37 0.00 0.00 175.52 175.57 2x9s h LEU 39 N 0.24 0.00 -0.02 2.58 3.38 -0.13 -2.31 115.31 119.05 2x9s h LEU 39 Ca 0.13 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2x9s h LEU 39 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2x9s h LEU 39 CO -0.13 0.13 -0.02 -0.26 0.09 0.00 0.00 178.44 178.25 2x9s h PHE 40 N 0.00 -0.04 -0.46 1.13 0.05 -0.91 -1.09 116.94 115.62 2x9s h PHE 40 Ca -0.00 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.69 2x9s h PHE 40 Cb 0.32 0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.27 2x9s h PHE 40 CO 0.00 -0.03 -0.12 0.00 -0.18 0.00 0.00 178.31 177.98 2x9s h ALA 41 N 1.00 0.93 0.00 2.45 0.00 -1.48 -2.66 119.26 119.49 2x9s h ALA 41 Ca 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2x9s h ALA 41 Cb 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2x9s h ALA 41 CO -0.04 0.62 -0.10 0.00 0.00 0.00 0.00 179.25 179.74 2x9s h ALA 42 N 1.10 1.50 0.08 0.00 0.00 -1.06 -0.04 119.26 120.85 2x9s h ALA 42 Ca 0.12 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 2x9s h ALA 42 Cb 0.63 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.43 2x9s h ALA 42 CO 0.04 0.12 -1.09 0.78 0.00 0.00 0.00 179.25 179.10 2x9s h GLY 43 N 0.49 0.67 0.75 0.00 0.00 -0.85 -2.88 103.07 101.25 2x9s h GLY 43 Ca -0.00 -1.33 -0.12 0.00 0.00 0.00 0.00 47.33 45.88 2x9s h GLY 43 CO 0.01 1.17 -0.43 3.43 0.00 0.00 0.00 176.54 180.73 2x9s h ASN 44 N 0.21 0.48 -0.41 0.19 2.35 -1.38 -2.06 115.58 114.96 2x9s h ASN 44 Ca -0.16 -0.68 0.09 0.00 -0.55 0.00 0.00 56.30 55.00 2x9s h ASN 44 Cb 1.77 -0.14 -0.09 0.00 0.05 0.00 0.00 38.32 39.91 2x9s h ASN 44 CO 0.21 1.08 -0.26 1.88 -1.65 0.00 0.00 177.43 178.69 2x9s h TYR 45 N -0.08 -0.70 0.37 1.19 0.99 -1.13 0.61 116.97 118.22 2x9s h TYR 45 Ca -0.04 0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 2x9s h TYR 45 Cb 1.09 0.37 -0.01 0.00 1.00 0.00 0.00 36.73 39.18 2x9s h TYR 45 CO 0.13 -0.34 -0.35 0.00 -0.00 0.00 0.00 178.16 177.61 2x9s h ALA 46 N 0.97 -1.04 -1.08 3.88 0.00 -1.53 1.37 119.26 121.83 2x9s h ALA 46 Ca 0.19 -0.14 0.29 0.00 0.00 0.00 0.00 54.91 55.26 2x9s h ALA 46 Cb 0.49 0.57 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 2x9s h ALA 46 CO -0.52 -1.06 0.72 -0.92 0.00 0.00 0.00 179.25 177.47 2x9s h TYR 47 N -0.71 0.48 0.11 0.00 3.20 -0.82 0.19 116.97 119.43 2x9s h TYR 47 Ca -0.05 0.02 -0.27 0.00 3.14 0.00 0.00 58.73 61.57 2x9s h TYR 47 Cb 0.61 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2x9s h TYR 47 CO -0.18 0.03 -1.21 0.00 -1.64 0.00 0.00 178.16 175.16 2x9s h ALA 48 N 1.57 0.13 0.00 1.82 0.00 0.10 -3.31 119.26 119.57 2x9s h ALA 48 Ca 0.59 -0.88 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2x9s h ALA 48 Cb 1.73 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2x9s h ALA 48 CO -0.23 0.98 -0.38 0.45 0.00 0.00 0.00 179.25 180.08 2x9s h HIS 49 N 0.08 0.00 -0.41 0.00 3.86 0.45 -2.78 115.15 116.34 2x9s h HIS 49 Ca -0.12 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.02 2x9s h HIS 49 Cb 1.94 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.39 2x9s h HIS 49 CO 0.06 0.25 -0.04 0.00 0.86 0.00 0.00 177.93 179.07 2x9s h ARG 50 N 0.00 0.69 0.61 2.45 3.08 -0.86 0.22 114.38 120.57 2x9s h ARG 50 Ca -0.01 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 2x9s h ARG 50 Cb 1.20 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.18 2x9s h ARG 50 CO 0.03 0.73 -0.29 0.87 -1.07 0.00 0.00 179.97 180.24 2x9s h LYS 51 N 0.64 -0.79 -0.90 0.04 1.79 -1.63 -3.18 116.57 112.55 2x9s h LYS 51 Ca 0.12 0.05 0.09 0.00 -2.18 0.00 0.00 60.65 58.74 2x9s h LYS 51 Cb 0.45 0.18 -0.06 0.00 -1.58 0.00 0.00 32.23 31.22 2x9s h LYS 51 CO 0.02 -0.47 0.58 0.00 -1.08 0.00 0.00 179.45 178.50 2x9s h ARG 52 N -1.01 0.91 -0.62 3.15 3.08 -1.21 -2.49 114.38 116.18 2x9s h ARG 52 Ca -0.08 -0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.04 2x9s h ARG 52 Cb 0.68 -0.20 -0.11 0.00 0.08 0.00 0.00 29.97 30.41 2x9s h ARG 52 CO 0.14 0.60 -0.11 -0.09 -1.07 0.00 0.00 179.97 179.44 2x9s h ARG 53 N 0.93 0.03 -0.59 0.04 2.43 -0.54 0.71 114.38 117.40 2x9s h ARG 53 Ca 0.41 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.69 2x9s h ARG 53 Cb 0.35 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.81 2x9s h ARG 53 CO -0.17 0.02 0.12 0.87 -1.51 0.00 0.00 179.97 179.30 2x9s h LYS 54 N 0.03 0.24 -0.61 0.20 1.57 -1.50 -1.07 116.57 115.43 2x9s h LYS 54 Ca 0.31 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.01 2x9s h LYS 54 Cb 0.48 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2x9s h LYS 54 CO -0.61 0.16 0.14 0.00 -0.57 0.00 0.00 179.45 178.57 2x9s h ARG 55 N 0.25 0.98 -1.00 3.15 3.08 -0.30 -2.92 114.38 117.61 2x9s h ARG 55 Ca 0.31 -0.24 0.06 0.00 0.07 0.00 0.00 59.98 60.17 2x9s h ARG 55 Cb 0.45 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 2x9s h ARG 55 CO -0.40 0.90 0.65 -0.44 -1.07 0.00 0.00 179.97 179.61 2x9s h ASP 56 N 0.89 1.06 0.41 7.04 3.32 0.15 -2.34 116.42 126.95 2x9s h ASP 56 Ca 0.19 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.03 2x9s h ASP 56 Cb 0.36 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2x9s h ASP 56 CO 0.00 0.69 -0.92 -0.26 -1.72 0.00 0.00 179.24 177.03 2x9s h PHE 57 N 1.21 0.51 -0.11 4.55 -1.00 -1.39 -2.22 116.94 118.50 2x9s h PHE 57 Ca 0.42 -0.28 0.04 0.00 2.81 0.00 0.00 57.97 60.96 2x9s h PHE 57 Cb 0.11 -0.06 -0.06 0.00 3.61 0.00 0.00 35.95 39.55 2x9s h PHE 57 CO -0.00 1.10 -0.41 0.00 -1.61 0.00 0.00 178.31 177.39 2x9s h ARG 58 N 0.19 -0.48 -0.31 1.51 3.08 -1.27 0.21 114.38 117.31 2x9s h ARG 58 Ca -0.07 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.07 2x9s h ARG 58 Cb 1.56 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 31.64 2x9s h ARG 58 CO 0.15 -0.32 -0.50 0.00 -1.07 0.00 0.00 179.97 178.24 2x9s h ARG 59 N -0.50 -0.42 -0.05 0.04 2.47 -1.38 0.89 114.38 115.44 2x9s h ARG 59 Ca 0.07 0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.85 2x9s h ARG 59 Cb 0.62 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.98 2x9s h ARG 59 CO -0.38 -0.28 -0.53 1.25 0.56 0.00 0.00 179.97 180.60 2x9s h LEU 60 N -0.43 -1.64 0.04 3.04 7.12 -0.71 0.38 115.31 123.10 2x9s h LEU 60 Ca 0.09 0.19 0.02 0.00 0.13 0.00 0.00 57.88 58.30 2x9s h LEU 60 Cb 0.62 0.63 -0.05 0.00 -0.53 0.00 0.00 40.66 41.33 2x9s h LEU 60 CO -0.53 -0.51 -0.48 -0.50 -0.13 0.00 0.00 178.44 176.30 2x9s h TRP 61 N -0.63 -1.40 -0.73 1.25 6.55 -0.20 -1.61 115.95 119.17 2x9s h TRP 61 Ca 0.02 0.04 0.15 0.00 0.95 0.00 0.00 58.89 60.06 2x9s h TRP 61 Cb 0.70 0.60 -0.14 0.00 -0.86 0.00 0.00 29.16 29.47 2x9s h TRP 61 CO -0.53 -0.52 -0.12 0.82 -1.05 0.00 0.00 178.44 177.04 2x9s h ILE 62 N -0.63 0.30 -0.81 1.49 2.04 -0.50 0.42 117.51 119.82 2x9s h ILE 62 Ca 0.00 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.88 2x9s h ILE 62 Cb 0.66 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2x9s h ILE 62 CO -0.30 0.01 0.53 0.58 0.00 0.00 0.00 178.15 178.97 2x9s h VAL 63 N 0.03 1.15 -0.01 1.67 2.07 -0.13 -0.70 116.25 120.33 2x9s h VAL 63 Ca 0.37 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 2x9s h VAL 63 Cb 0.60 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2x9s h VAL 63 CO -0.72 0.19 -0.25 0.03 0.02 0.00 0.00 177.57 176.84 2x9s h ARG 64 N 1.03 0.18 -0.61 1.57 3.08 0.08 -2.44 114.38 117.26 2x9s h ARG 64 Ca 0.32 -0.19 0.18 0.00 0.07 0.00 0.00 59.98 60.35 2x9s h ARG 64 Cb -0.00 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2x9s h ARG 64 CO -0.09 0.91 0.49 0.82 -1.07 0.00 0.00 179.97 181.03 2x9s h ILE 65 N -0.47 0.56 0.03 2.04 2.04 -0.02 -0.92 117.51 120.77 2x9s h ILE 65 Ca -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2x9s h ILE 65 Cb 1.00 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2x9s h ILE 65 CO 0.05 0.00 -0.01 -1.13 0.00 0.00 0.00 178.15 177.06 2x9s h ASN 66 N 0.00 -0.03 -0.33 1.72 -0.00 -1.09 -3.07 115.58 112.77 2x9s h ASN 66 Ca 0.29 -0.54 0.07 0.00 -0.00 0.00 0.00 56.30 56.13 2x9s h ASN 66 Cb 1.26 0.01 -0.08 0.00 -0.00 0.00 0.00 38.32 39.51 2x9s h ASN 66 CO -0.00 0.71 -0.23 0.00 -0.00 0.00 0.00 177.43 177.90 2x9s h ALA 67 N -0.39 -0.04 0.04 1.57 0.00 -0.86 -1.03 119.26 118.55 2x9s h ALA 67 Ca -0.00 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2x9s h ALA 67 Cb 0.57 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2x9s h ALA 67 CO 0.01 -0.63 -0.37 0.00 0.00 0.00 0.00 179.25 178.26 2x9s h ALA 68 N 0.94 -0.59 0.00 0.00 0.00 -1.34 -2.15 119.26 116.13 2x9s h ALA 68 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2x9s h ALA 68 Cb 0.46 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2x9s h ALA 68 CO -0.45 -0.90 0.00 0.00 0.00 0.00 0.00 179.25 177.90 2x9s n ARG 70 N -1.32 0.08 0.00 0.00 1.74 -0.42 -2.50 116.66 114.24 2x9s n ARG 70 Ca 0.09 -0.01 0.13 0.00 -0.77 0.00 0.00 57.85 57.29 2x9s n ARG 70 Cb 0.18 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 30.57 2x9s n ARG 70 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2x9s n GLN 71 N -1.45 0.19 -0.36 5.56 6.02 -0.70 -3.46 117.38 123.18 2x9s n GLN 71 Ca 0.08 -0.08 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 2x9s n GLN 71 Cb 0.33 -1.50 0.16 0.00 1.02 0.00 0.00 30.24 30.25 2x9s n GLN 71 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2x9s n HIS 72 N -1.34 0.00 0.00 1.08 8.25 -1.04 -5.07 115.22 117.10 2x9s n HIS 72 Ca 0.08 -1.17 0.00 0.00 -0.26 0.00 0.00 57.72 56.37 2x9s n HIS 72 Cb 0.33 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.24 2x9s n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2x9s n GLY 73 N -1.19 0.96 1.40 -1.41 0.00 -1.21 -5.03 105.19 98.70 2x9s n GLY 73 Ca 0.16 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 2x9s n GLY 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2x9s n LEU 74 N 0.00 -2.47 -4.66 0.99 -0.00 -1.26 -4.35 117.00 105.25 2x9s n LEU 74 Ca 0.00 0.06 -0.25 0.00 -0.00 0.00 0.00 56.01 55.82 2x9s n LEU 74 Cb 0.00 -0.32 -0.09 0.00 -0.00 0.00 0.00 43.42 43.01 2x9s n LEU 74 CO 0.00 -2.41 -0.26 0.54 -0.00 0.00 0.00 177.39 175.26 2x9s s ASN 75 N -0.47 4.21 0.28 1.45 2.20 -1.26 -3.35 114.94 118.00 2x9s s ASN 75 Ca 0.18 -1.07 -0.05 0.00 -0.94 0.00 0.00 52.86 50.97 2x9s s ASN 75 Cb -0.05 -0.50 0.53 0.00 -2.00 0.00 0.00 41.25 39.24 2x9s s ASN 75 CO 0.37 -0.36 1.57 0.22 -2.94 0.00 0.00 177.10 175.96 2x9s h TYR 76 N 1.69 -0.33 -0.57 1.54 3.20 -1.87 0.13 116.97 120.77 2x9s h TYR 76 Ca -0.43 0.08 0.10 0.00 3.14 0.00 0.00 58.73 61.61 2x9s h TYR 76 Cb 1.25 0.29 -0.11 0.00 1.54 0.00 0.00 36.73 39.70 2x9s h TYR 76 CO 0.68 -0.40 -0.37 0.77 -1.64 0.00 0.00 178.16 177.20 2x9s h SER 77 N 0.01 -1.28 0.00 -2.11 0.02 -2.00 -1.84 113.55 106.35 2x9s h SER 77 Ca 0.50 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.68 2x9s h SER 77 Cb 0.87 0.61 0.00 0.00 0.14 0.00 0.00 62.40 64.02 2x9s h SER 77 CO -0.94 -0.32 0.00 0.41 -1.14 0.00 0.00 176.83 174.84 2x9s n THR 78 N -5.42 0.00 -0.19 -2.27 -1.04 0.31 -2.88 114.28 102.79 2x9s n THR 78 Ca 0.03 1.20 0.08 0.00 -2.04 0.00 0.00 64.05 63.33 2x9s n THR 78 Cb 0.35 -2.20 0.16 0.00 -1.82 0.00 0.00 70.33 66.82 2x9s n THR 78 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2x9s n PHE 79 N -1.99 0.35 -0.10 -1.42 -0.00 -0.32 0.18 117.46 114.16 2x9s n PHE 79 Ca 0.00 0.65 -0.12 0.00 -0.00 0.00 0.00 57.45 57.98 2x9s n PHE 79 Cb 0.00 -0.91 0.01 0.00 -0.00 0.00 0.00 39.48 38.58 2x9s n PHE 79 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2x9s h ILE 80 N 0.00 1.28 0.13 -2.13 1.08 -1.40 -2.68 117.51 113.79 2x9s h ILE 80 Ca 0.33 -1.52 -0.01 0.00 -0.39 0.00 0.00 64.86 63.27 2x9s h ILE 80 Cb 0.69 1.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 2x9s h ILE 80 CO -0.50 0.51 -0.06 -0.74 -0.69 0.00 0.00 178.15 176.66 2x9s h HIS 81 N 0.72 -0.17 -0.54 1.37 2.76 0.21 0.07 115.15 119.57 2x9s h HIS 81 Ca 0.07 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.33 2x9s h HIS 81 Cb 0.93 0.06 -0.11 0.00 1.55 0.00 0.00 27.41 29.83 2x9s h HIS 81 CO 0.06 -0.00 -0.31 0.78 -1.30 0.00 0.00 177.93 177.15 2x9s h GLY 82 N -0.30 -0.08 0.46 5.26 0.00 -1.26 0.32 103.07 107.46 2x9s h GLY 82 Ca -0.02 0.40 0.05 0.00 0.00 0.00 0.00 47.33 47.76 2x9s h GLY 82 CO 0.03 -0.21 -0.10 1.41 0.00 0.00 0.00 176.54 177.67 2x9s h LEU 83 N -0.17 -0.34 -0.57 3.11 4.07 -1.32 1.99 115.31 122.09 2x9s h LEU 83 Ca 0.22 0.08 0.12 0.00 0.08 0.00 0.00 57.88 58.38 2x9s h LEU 83 Cb 0.54 0.19 -0.10 0.00 1.08 0.00 0.00 40.66 42.37 2x9s h LEU 83 CO -0.64 -0.13 -0.02 0.50 -1.08 0.00 0.00 178.44 177.07 2x9s h LYS 84 N -0.07 0.09 0.04 1.13 1.63 0.13 0.31 116.57 119.82 2x9s h LYS 84 Ca 0.12 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.78 2x9s h LYS 84 Cb 0.25 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 31.87 2x9s h LYS 84 CO -0.27 0.06 -0.52 0.87 -3.45 0.00 0.00 179.45 176.15 2x9s h LYS 85 N 0.10 0.28 -0.28 1.90 1.57 0.14 -3.17 116.57 117.12 2x9s h LYS 85 Ca 0.29 -0.36 0.08 0.00 -1.87 0.00 0.00 60.65 58.80 2x9s h LYS 85 Cb 0.46 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2x9s h LYS 85 CO -0.50 1.08 0.45 0.00 -0.57 0.00 0.00 179.45 179.92 2x9s h ALA 86 N 0.21 1.88 0.00 3.86 0.00 0.37 -3.45 119.26 122.13 2x9s h ALA 86 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2x9s h ALA 86 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2x9s h ALA 86 CO 0.10 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.16 2x9s n GLY 87 N -1.41 0.68 3.51 0.00 0.00 0.10 -5.01 105.19 103.07 2x9s n GLY 87 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2x9s n GLY 87 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2x9s s ILE 88 N -2.57 4.18 -1.20 -0.61 -4.36 -0.91 -4.79 121.20 110.94 2x9s s ILE 88 Ca 0.00 -0.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.58 2x9s s ILE 88 Cb 0.00 -4.92 0.01 0.00 1.25 0.00 0.00 42.46 38.80 2x9s s ILE 88 CO 0.00 -1.75 0.61 1.21 0.24 0.00 0.00 174.94 175.26 2x9s n GLU 89 N 8.12 1.03 0.00 0.37 2.13 -1.26 -4.62 120.64 126.40 2x9s n GLU 89 Ca 0.22 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 58.02 2x9s n GLU 89 Cb 0.50 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.80 2x9s n GLU 89 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2x9s n VAL 90 N -0.10 0.00 0.00 6.31 0.31 -1.26 -4.59 118.33 119.00 2x9s n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2x9s n VAL 90 Cb 0.21 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 2x9s n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2x9s n ASP 91 N 0.00 0.00 -3.30 4.52 -0.08 -1.26 -4.62 116.55 111.81 2x9s n ASP 91 Ca 0.00 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.13 2x9s n ASP 91 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 2x9s n ASP 91 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2x9s n ARG 92 N 0.00 -1.71 0.00 -0.67 0.63 -1.26 -2.55 116.66 111.09 2x9s n ARG 92 Ca 0.00 1.41 0.00 0.00 -0.92 0.00 0.00 57.85 58.34 2x9s n ARG 92 Cb 0.00 -4.15 0.00 0.00 0.45 0.00 0.00 32.46 28.76 2x9s n ARG 92 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2x9s n LYS 93 N -1.43 0.00 -0.30 -0.14 4.01 -1.26 0.44 118.16 119.48 2x9s n LYS 93 Ca -0.08 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.79 2x9s n LYS 93 Cb 0.58 0.00 0.17 0.00 -0.51 0.00 0.00 35.03 35.27 2x9s n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 2x9s h ASN 94 N 0.00 -0.58 1.75 4.39 -1.24 -1.94 0.21 115.58 118.17 2x9s h ASN 94 Ca 0.00 0.24 0.00 0.00 0.71 0.00 0.00 56.30 57.25 2x9s h ASN 94 Cb 0.00 0.46 0.00 0.00 0.73 0.00 0.00 38.32 39.51 2x9s h ASN 94 CO 0.00 -0.27 0.00 -0.07 -1.29 0.00 0.00 177.43 175.80 2x9s h LEU 95 N 0.04 0.00 -4.48 0.34 3.38 0.27 -3.27 115.31 111.58 2x9s h LEU 95 Ca 0.46 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 58.02 2x9s h LEU 95 Cb 0.80 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 2x9s h LEU 95 CO -0.82 0.00 1.09 0.00 0.09 0.00 0.00 178.44 178.80 2x9s n ALA 96 N -2.09 6.75 1.04 1.53 0.00 0.74 -2.69 120.51 125.79 2x9s n ALA 96 Ca 0.03 -2.65 0.11 0.00 0.00 0.00 0.00 53.44 50.93 2x9s n ALA 96 Cb 0.47 -2.61 0.05 0.00 0.00 0.00 0.00 19.45 17.36 2x9s n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2x9s n ASP 97 N 2.48 1.40 -0.39 0.00 5.75 -1.23 -3.89 116.55 120.66 2x9s n ASP 97 Ca 0.55 -1.13 0.35 0.00 -0.01 0.00 0.00 54.79 54.55 2x9s n ASP 97 Cb 0.63 0.55 0.68 0.00 -1.03 0.00 0.00 41.12 41.94 2x9s n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2x9s h LEU 98 N 1.27 0.16 -1.97 -2.12 3.38 -1.64 1.25 115.31 115.64 2x9s h LEU 98 Ca 0.00 0.05 0.32 0.00 0.09 0.00 0.00 57.88 58.34 2x9s h LEU 98 Cb 0.61 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 2x9s h LEU 98 CO 0.00 -0.01 0.80 0.00 0.09 0.00 0.00 178.44 179.32 2x9s h ALA 99 N 1.45 3.03 -1.18 1.53 0.00 -1.82 -3.16 119.26 119.10 2x9s h ALA 99 Ca 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.54 2x9s h ALA 99 Cb 2.31 0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.18 2x9s h ALA 99 CO -0.16 -1.35 0.00 0.28 0.00 0.00 0.00 179.25 178.02 2x9s n VAL 100 N -4.22 0.00 -2.89 0.00 0.31 0.43 -4.54 118.33 107.42 2x9s n VAL 100 Ca 0.24 0.30 -0.41 0.00 -0.01 0.00 0.00 64.34 64.47 2x9s n VAL 100 Cb 1.17 -1.18 -0.04 0.00 -0.91 0.00 0.00 33.84 32.88 2x9s n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2x9s s ARG 101 N -0.61 4.45 0.00 5.55 0.52 -1.17 -4.02 118.95 123.67 2x9s s ARG 101 Ca 0.00 1.11 0.00 0.00 -0.52 0.00 0.00 55.73 56.32 2x9s s ARG 101 Cb 0.00 -3.48 0.00 0.00 0.52 0.00 0.00 34.95 31.99 2x9s s ARG 101 CO 0.00 -0.07 0.00 0.39 0.02 0.00 0.00 175.30 175.64 2x9s n GLU 102 N 4.16 0.00 0.30 3.54 -0.58 -1.23 -4.00 120.64 122.82 2x9s n GLU 102 Ca 0.03 0.00 0.18 0.00 -0.42 0.00 0.00 57.16 56.94 2x9s n GLU 102 Cb 0.51 -2.15 0.95 0.00 -0.57 0.00 0.00 31.44 30.18 2x9s n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2x9s h PRO 103 N 0.00 0.00 0.12 3.49 0.13 -1.69 -2.41 132.00 131.64 2x9s h PRO 103 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2x9s h PRO 103 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2x9s h PRO 103 CO 0.00 0.03 -0.06 1.96 -0.23 0.00 0.00 178.00 179.71 2x9s h GLN 104 N 0.00 -0.15 -0.50 0.86 4.20 -1.93 0.27 115.11 117.86 2x9s h GLN 104 Ca -0.00 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.74 2x9s h GLN 104 Cb 0.16 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2x9s h GLN 104 CO 0.00 0.07 0.31 0.28 -0.67 0.00 0.00 178.83 178.83 2x9s h VAL 105 N -0.37 1.08 -0.12 -0.54 2.07 -1.81 -1.80 116.25 114.75 2x9s h VAL 105 Ca -0.02 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.33 2x9s h VAL 105 Cb 0.30 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2x9s h VAL 105 CO 0.03 0.11 -0.10 0.15 0.02 0.00 0.00 177.57 177.78 2x9s h PHE 106 N 0.62 -0.26 -0.72 1.57 3.57 -1.34 -1.46 116.94 118.93 2x9s h PHE 106 Ca 0.19 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.87 2x9s h PHE 106 Cb -0.01 0.13 -0.13 0.00 2.79 0.00 0.00 35.95 38.73 2x9s h PHE 106 CO -0.06 -0.16 -0.04 0.00 -2.23 0.00 0.00 178.31 175.82 2x9s h ALA 107 N 0.97 0.67 -0.44 2.41 0.00 -0.30 0.26 119.26 122.83 2x9s h ALA 107 Ca 0.08 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 2x9s h ALA 107 Cb 0.24 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2x9s h ALA 107 CO -0.19 -0.42 0.11 1.49 0.00 0.00 0.00 179.25 180.24 2x9s h GLU 108 N 0.08 0.65 -0.23 0.00 4.22 -0.49 -1.48 114.58 117.32 2x9s h GLU 108 Ca 0.38 -0.11 -0.09 0.00 0.08 0.00 0.00 59.36 59.62 2x9s h GLU 108 Cb 0.64 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2x9s h GLU 108 CO -0.66 0.59 -0.23 -0.07 -2.18 0.00 0.00 179.01 176.46 2x9s h LEU 109 N 0.63 0.43 -0.45 1.64 3.38 0.40 -2.03 115.31 119.30 2x9s h LEU 109 Ca 0.15 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2x9s h LEU 109 Cb 0.23 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2x9s h LEU 109 CO -0.00 0.66 0.29 0.58 0.09 0.00 0.00 178.44 180.05 2x9s h VAL 110 N 0.38 1.13 0.92 1.22 2.07 -0.03 -2.07 116.25 119.88 2x9s h VAL 110 Ca 0.06 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 2x9s h VAL 110 Cb 0.62 0.50 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2x9s h VAL 110 CO 0.04 0.13 -0.44 -0.33 0.02 0.00 0.00 177.57 176.99 2x9s h GLU 111 N 0.61 -1.19 -0.93 1.57 4.39 -0.97 -1.85 114.58 116.19 2x9s h GLU 111 Ca 0.16 0.08 0.26 0.00 0.34 0.00 0.00 59.36 60.21 2x9s h GLU 111 Cb -0.03 0.27 -0.17 0.00 -0.10 0.00 0.00 28.75 28.72 2x9s h GLU 111 CO -0.03 -0.80 0.13 0.00 -1.16 0.00 0.00 179.01 177.16 2x9s h ARG 112 N -1.33 0.07 0.85 2.33 2.47 -1.35 0.17 114.38 117.60 2x9s h ARG 112 Ca -0.13 -0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.55 2x9s h ARG 112 Cb 0.95 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.26 2x9s h ARG 112 CO 0.21 0.05 -0.41 0.00 0.56 0.00 0.00 179.97 180.38 2x9s h ALA 113 N 1.90 -1.29 0.00 0.04 0.00 -1.16 -2.45 119.26 116.30 2x9s h ALA 113 Ca 0.59 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2x9s h ALA 113 Cb 1.24 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2x9s h ALA 113 CO -0.81 -1.20 0.00 0.36 0.00 0.00 0.00 179.25 177.60 2x9s n LYS 114 N -5.12 0.12 0.08 0.00 2.85 -0.67 -2.00 118.16 113.41 2x9s n LYS 114 Ca -0.14 0.22 -0.22 0.00 -1.05 0.00 0.00 58.31 57.12 2x9s n LYS 114 Cb 0.45 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.18 2x9s n LYS 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2x9s h ALA 115 N 2.45 -0.09 0.00 0.58 0.00 -0.62 -3.19 119.26 118.40 2x9s h ALA 115 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2x9s h ALA 115 Cb 0.11 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2x9s h ALA 115 CO 0.00 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2x9s n ALA 116 N -2.71 1.86 -0.15 0.00 0.00 -0.85 -3.72 120.51 114.94 2x9s n ALA 116 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2x9s n ALA 116 Cb 0.92 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2x9s n ALA 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2x9s n GLN 117 N -1.40 0.00 0.00 0.00 1.13 -1.16 -4.84 117.38 111.11 2x9s n GLN 117 Ca 0.06 0.43 0.13 0.00 -1.94 0.00 0.00 57.00 55.68 2x9s n GLN 117 Cb 0.17 -1.14 0.35 0.00 0.11 0.00 0.00 30.24 29.73 2x9s n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03