#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t s ARG 2 N 0.00 0.80 -0.02 0.00 3.52 -1.26 -5.02 118.95 116.97 2i2t s ARG 2 Ca 0.00 1.34 0.04 0.00 -0.13 0.00 0.00 55.73 56.99 2i2t s ARG 2 Cb 0.00 -1.72 -0.01 0.00 -1.56 0.00 0.00 34.95 31.67 2i2t s ARG 2 CO 0.00 -2.71 -0.15 0.08 -0.81 0.00 0.00 175.30 171.70 2i2t s VAL 3 N -2.66 1.25 0.00 7.11 1.01 -1.26 -5.08 120.40 120.78 2i2t s VAL 3 Ca 0.66 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2i2t s VAL 3 Cb -0.22 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2i2t s VAL 3 CO 0.59 0.36 0.17 1.17 0.00 0.00 0.00 175.10 177.39 2i2t n LYS 4 N 2.90 0.00 -3.53 2.72 3.00 -1.26 -4.85 118.16 117.14 2i2t n LYS 4 Ca -0.16 0.17 -0.20 0.00 -0.00 0.00 0.00 58.31 58.12 2i2t n LYS 4 Cb 0.54 -0.33 0.06 0.00 0.00 0.00 0.00 35.03 35.29 2i2t n LYS 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2i2t n ARG 5 N -0.77 -4.04 0.09 1.64 1.74 -1.26 -4.84 116.66 109.22 2i2t n ARG 5 Ca 0.00 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 2i2t n ARG 5 Cb 0.00 -5.32 0.00 0.00 -1.02 0.00 0.00 32.46 26.12 2i2t n ARG 5 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2i2t n GLY 6 N -1.41 -1.10 0.17 -0.13 0.00 -1.26 -4.88 105.19 96.58 2i2t n GLY 6 Ca -0.21 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2i2t n GLY 6 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2i2t h VAL 7 N 0.00 0.81 0.00 1.61 -1.51 -1.97 -2.87 116.25 112.32 2i2t h VAL 7 Ca 0.00 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 2i2t h VAL 7 Cb 0.00 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 2i2t h VAL 7 CO 0.00 0.12 0.00 -0.29 -1.23 0.00 0.00 177.57 176.17 2i2t h ILE 8 N -0.64 0.00 0.00 7.19 6.09 -1.97 -3.16 117.51 125.02 2i2t h ILE 8 Ca -0.03 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 2i2t h ILE 8 Cb 0.46 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.82 2i2t h ILE 8 CO 0.06 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.14 2i2t n ALA 9 N -1.84 0.00 -0.08 0.18 0.00 -1.09 -2.43 120.51 115.25 2i2t n ALA 9 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2i2t n ALA 9 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2i2t n ALA 9 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2i2t n ARG 10 N -0.33 0.73 -0.00 0.00 1.85 -1.17 -0.85 116.66 116.89 2i2t n ARG 10 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2i2t n ARG 10 Cb 0.00 -1.14 -0.00 0.00 -1.05 0.00 0.00 32.46 30.27 2i2t n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2i2t n ALA 11 N 1.38 1.99 0.72 2.89 0.00 -1.19 -4.02 120.51 122.27 2i2t n ALA 11 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2i2t n ALA 11 Cb 0.36 0.28 0.13 0.00 0.00 0.00 0.00 19.45 20.23 2i2t n ALA 11 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2i2t n ARG 12 N -2.11 0.19 0.09 0.00 1.85 -0.03 -2.95 116.66 113.69 2i2t n ARG 12 Ca -0.01 0.03 -0.16 0.00 -1.00 0.00 0.00 57.85 56.71 2i2t n ARG 12 Cb 0.52 -1.59 -0.14 0.00 -1.05 0.00 0.00 32.46 30.20 2i2t n ARG 12 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2i2t h HIS 13 N 0.00 0.45 -0.16 2.89 3.86 -1.59 -3.24 115.15 117.36 2i2t h HIS 13 Ca 0.00 -0.33 -0.19 0.00 -1.16 0.00 0.00 60.37 58.69 2i2t h HIS 13 Cb 0.65 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.10 2i2t h HIS 13 CO 0.00 1.28 -0.66 0.87 0.86 0.00 0.00 177.93 180.28 2i2t h LYS 14 N 0.07 0.62 -0.03 2.45 1.57 -1.69 0.12 116.57 119.68 2i2t h LYS 14 Ca -0.15 -0.45 0.02 0.00 -1.87 0.00 0.00 60.65 58.20 2i2t h LYS 14 Cb 1.97 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 34.31 2i2t h LYS 14 CO 0.19 1.07 -0.42 -0.22 -0.57 0.00 0.00 179.45 179.50 2i2t h LYS 15 N 0.45 -0.49 0.41 3.15 3.64 -1.60 -1.99 116.57 120.14 2i2t h LYS 15 Ca -0.02 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2i2t h LYS 15 Cb 1.24 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 2i2t h LYS 15 CO 0.13 -0.33 -0.30 0.82 -2.27 0.00 0.00 179.45 177.50 2i2t h ILE 16 N -0.51 0.37 0.00 2.00 5.03 -1.58 -3.18 117.51 119.64 2i2t h ILE 16 Ca 0.01 0.00 -0.55 0.00 -0.12 0.00 0.00 64.86 64.20 2i2t h ILE 16 Cb 0.56 0.37 0.04 0.00 -3.03 0.00 0.00 36.82 34.77 2i2t h ILE 16 CO -0.30 0.00 2.29 -0.11 -0.68 0.00 0.00 178.15 179.35 2i2t n LEU 17 N -5.43 4.01 0.00 1.44 7.94 0.41 -1.26 117.00 124.11 2i2t n LEU 17 Ca -0.10 -2.76 0.00 0.00 -1.11 0.00 0.00 56.01 52.04 2i2t n LEU 17 Cb 0.33 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.22 2i2t n LEU 17 CO 0.32 -0.22 0.00 1.17 -1.11 0.00 0.00 177.39 177.55 2i2t n LYS 18 N 6.25 0.00 0.00 1.96 4.81 -1.09 -4.66 118.16 125.42 2i2t n LYS 18 Ca 0.46 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 58.04 2i2t n LYS 18 Cb 0.32 0.00 0.78 0.00 0.02 0.00 0.00 35.03 36.15 2i2t n LYS 18 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2i2t n GLN 19 N -0.99 0.71 0.00 1.64 6.02 -0.39 -2.10 117.38 122.27 2i2t n GLN 19 Ca 0.00 0.01 0.11 0.00 -0.01 0.00 0.00 57.00 57.11 2i2t n GLN 19 Cb 0.00 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.74 2i2t n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2i2t n ALA 20 N -1.10 3.65 -1.70 -1.58 0.00 -1.22 -4.86 120.51 113.71 2i2t n ALA 20 Ca 0.18 -0.63 -0.53 0.00 0.00 0.00 0.00 53.44 52.46 2i2t n ALA 20 Cb 0.14 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 2i2t n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2i2t n LYS 21 N -0.18 1.67 0.00 0.00 4.76 -0.89 -1.44 118.16 122.08 2i2t n LYS 21 Ca 0.08 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 56.14 2i2t n LYS 21 Cb 0.45 -2.38 0.00 0.00 -1.84 0.00 0.00 35.03 31.26 2i2t n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2i2t n GLY 22 N 4.33 0.52 3.75 0.72 0.00 -1.26 -5.08 105.19 108.16 2i2t n GLY 22 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 2i2t n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i2t s TYR 23 N -2.00 3.79 0.50 1.61 4.12 -0.52 -5.03 117.35 119.81 2i2t s TYR 23 Ca 0.00 1.59 -0.21 0.00 0.02 0.00 0.00 57.07 58.47 2i2t s TYR 23 Cb 0.00 -2.88 -0.07 0.00 -1.52 0.00 0.00 41.96 37.50 2i2t s TYR 23 CO 0.00 0.30 1.15 -0.47 0.02 0.00 0.00 175.55 176.54 2i2t s TYR 24 N -0.24 2.79 0.00 2.71 5.04 -1.26 -3.54 117.35 122.85 2i2t s TYR 24 Ca 0.40 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.57 2i2t s TYR 24 Cb -0.22 -3.33 0.00 0.00 0.35 0.00 0.00 41.96 38.76 2i2t s TYR 24 CO 0.25 -1.52 0.00 0.41 -1.34 0.00 0.00 175.55 173.36 2i2t n GLY 25 N 0.31 -1.33 0.00 8.97 0.00 -1.26 -3.28 105.19 108.60 2i2t n GLY 25 Ca 0.09 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2i2t n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2t n ALA 26 N 0.70 0.91 0.30 4.61 0.00 -1.26 -1.83 120.51 123.94 2i2t n ALA 26 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2i2t n ALA 26 Cb 0.00 -0.89 0.82 0.00 0.00 0.00 0.00 19.45 19.38 2i2t n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2t h ARG 27 N 0.00 0.00 0.00 0.00 3.08 -1.55 -0.58 114.38 115.33 2i2t h ARG 27 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 2i2t h ARG 27 Cb 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2i2t h ARG 27 CO 0.00 0.00 -1.80 -1.13 -1.07 0.00 0.00 179.97 175.97 2i2t n SER 28 N -3.02 2.20 -4.17 7.04 3.41 -0.76 -4.41 113.62 113.90 2i2t n SER 28 Ca -0.01 -0.01 -0.35 0.00 -0.26 0.00 0.00 58.87 58.25 2i2t n SER 28 Cb 0.40 0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 64.90 2i2t n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i2t s ARG 29 N -2.28 2.56 0.00 4.33 1.70 -0.22 -4.84 118.95 120.20 2i2t s ARG 29 Ca -0.07 -1.17 0.00 0.00 -0.47 0.00 0.00 55.73 54.02 2i2t s ARG 29 Cb 0.04 -3.09 0.00 0.00 -0.57 0.00 0.00 34.95 31.33 2i2t s ARG 29 CO 0.46 -0.54 0.00 1.55 -1.08 0.00 0.00 175.30 175.70 2i2t n VAL 30 N 4.62 0.00 0.04 4.99 3.14 -1.24 -4.39 118.33 125.49 2i2t n VAL 30 Ca -0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 2i2t n VAL 30 Cb 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.23 2i2t n VAL 30 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2i2t n TYR 31 N 8.23 -0.61 -0.11 1.45 9.36 -1.26 -4.80 117.16 129.41 2i2t n TYR 31 Ca 0.00 0.11 -0.03 0.00 3.32 0.00 0.00 57.90 61.30 2i2t n TYR 31 Cb 0.00 0.41 -0.03 0.00 -0.63 0.00 0.00 39.34 39.09 2i2t n TYR 31 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2i2t n ARG 32 N -2.80 -0.12 -1.25 2.98 1.74 -1.26 -0.11 116.66 115.84 2i2t n ARG 32 Ca 0.00 0.97 -0.23 0.00 -0.77 0.00 0.00 57.85 57.82 2i2t n ARG 32 Cb 0.00 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 29.97 2i2t n ARG 32 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2i2t n VAL 33 N -3.54 3.12 -1.70 1.55 0.24 -1.26 -2.62 118.33 114.12 2i2t n VAL 33 Ca 0.01 -2.45 0.00 0.00 -2.04 0.00 0.00 64.34 59.85 2i2t n VAL 33 Cb 0.07 -1.51 0.00 0.00 -1.47 0.00 0.00 33.84 30.93 2i2t n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i2t n ALA 34 N 0.71 1.27 -0.01 2.33 0.00 0.84 -3.34 120.51 122.32 2i2t n ALA 34 Ca 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 2i2t n ALA 34 Cb 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 2i2t n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2i2t n PHE 35 N 0.00 0.00 0.33 0.00 -0.00 -0.61 -4.01 117.46 113.17 2i2t n PHE 35 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.49 2i2t n PHE 35 Cb 0.52 -0.05 0.20 0.00 -0.00 0.00 0.00 39.48 40.15 2i2t n PHE 35 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2i2t n GLN 36 N -2.98 0.01 -0.10 -4.13 6.02 -1.21 -0.59 117.38 114.40 2i2t n GLN 36 Ca -0.03 0.33 -0.19 0.00 -0.01 0.00 0.00 57.00 57.11 2i2t n GLN 36 Cb 0.52 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.18 2i2t n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2i2t h ALA 37 N 2.33 0.21 -0.90 -1.58 0.00 -1.86 -3.17 119.26 114.30 2i2t h ALA 37 Ca 0.00 -1.04 0.07 0.00 0.00 0.00 0.00 54.91 53.94 2i2t h ALA 37 Cb 0.15 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 2i2t h ALA 37 CO 0.00 0.62 0.58 0.28 0.00 0.00 0.00 179.25 180.73 2i2t h VAL 38 N -1.00 1.04 0.08 0.00 2.07 -1.46 -1.96 116.25 115.02 2i2t h VAL 38 Ca -0.27 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 2i2t h VAL 38 Cb 1.15 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2i2t h VAL 38 CO -0.16 0.18 -0.07 0.40 0.02 0.00 0.00 177.57 177.94 2i2t h ILE 39 N 0.98 0.00 -1.13 4.57 1.08 -0.99 -2.26 117.51 119.76 2i2t h ILE 39 Ca 0.39 0.00 0.42 0.00 -0.39 0.00 0.00 64.86 65.28 2i2t h ILE 39 Cb 0.26 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.85 2i2t h ILE 39 CO -0.15 0.00 0.66 0.11 -0.69 0.00 0.00 178.15 178.08 2i2t h LYS 40 N -0.14 0.07 0.18 2.37 1.79 -1.46 0.54 116.57 119.92 2i2t h LYS 40 Ca -0.01 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2i2t h LYS 40 Cb 0.12 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 2i2t h LYS 40 CO -0.00 0.05 -0.31 0.00 -1.08 0.00 0.00 179.45 178.11 2i2t h ALA 41 N 1.83 -0.57 -0.01 3.86 0.00 -0.81 0.39 119.26 123.97 2i2t h ALA 41 Ca 0.83 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.67 2i2t h ALA 41 Cb 2.31 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 20.59 2i2t h ALA 41 CO -0.62 -0.87 0.00 0.78 0.00 0.00 0.00 179.25 178.54 2i2t h GLY 42 N -0.57 0.01 0.33 0.00 0.00 0.51 0.16 103.07 103.51 2i2t h GLY 42 Ca 0.02 -0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.39 2i2t h GLY 42 CO -0.14 0.00 -0.21 1.46 0.00 0.00 0.00 176.54 177.65 2i2t h GLN 43 N -0.06 -0.25 -0.07 4.80 4.20 -0.92 0.19 115.11 123.01 2i2t h GLN 43 Ca 0.00 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.74 2i2t h GLN 43 Cb 0.07 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2i2t h GLN 43 CO -0.00 -0.17 0.02 1.88 -0.67 0.00 0.00 178.83 179.89 2i2t h TYR 44 N -0.26 0.04 -0.05 2.96 0.99 -0.11 -1.36 116.97 119.18 2i2t h TYR 44 Ca 0.10 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.87 2i2t h TYR 44 Cb 0.42 -0.01 -0.06 0.00 1.00 0.00 0.00 36.73 38.08 2i2t h TYR 44 CO -0.32 0.02 -0.38 0.00 -0.00 0.00 0.00 178.16 177.48 2i2t h ALA 45 N 1.04 -0.56 -0.84 3.88 0.00 -0.11 0.54 119.26 123.22 2i2t h ALA 45 Ca 0.03 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.09 2i2t h ALA 45 Cb 0.02 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 2i2t h ALA 45 CO -0.03 -0.89 0.56 -0.92 0.00 0.00 0.00 179.25 177.96 2i2t h TYR 46 N -0.51 0.60 0.22 0.00 3.20 -0.47 0.38 116.97 120.40 2i2t h TYR 46 Ca 0.07 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2i2t h TYR 46 Cb 0.61 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.69 2i2t h TYR 46 CO -0.41 0.20 -0.10 -0.09 -1.64 0.00 0.00 178.16 176.11 2i2t h ARG 47 N 0.49 -0.28 0.00 1.82 2.43 0.23 -3.26 114.38 115.81 2i2t h ARG 47 Ca 0.43 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 2i2t h ARG 47 Cb 0.92 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2i2t h ARG 47 CO -0.17 -0.19 0.00 -0.25 -1.51 0.00 0.00 179.97 177.86 2i2t n ASP 48 N -3.74 0.25 0.25 -3.80 10.43 0.17 -0.92 116.55 119.19 2i2t n ASP 48 Ca -0.04 0.61 0.09 0.00 2.57 0.00 0.00 54.79 58.02 2i2t n ASP 48 Cb 0.11 -0.64 0.64 0.00 1.84 0.00 0.00 41.12 43.07 2i2t n ASP 48 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 2i2t h ARG 49 N 0.00 0.00 0.06 -1.24 9.65 -0.28 -1.60 114.38 120.97 2i2t h ARG 49 Ca 0.00 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.54 2i2t h ARG 49 Cb 0.04 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 2i2t h ARG 49 CO 0.00 0.09 -1.88 0.54 2.80 0.00 0.00 179.97 181.52 2i2t n ARG 50 N -4.23 0.66 0.27 0.20 3.00 -0.10 -4.08 116.66 112.38 2i2t n ARG 50 Ca -0.03 0.35 0.12 0.00 -0.01 0.00 0.00 57.85 58.29 2i2t n ARG 50 Cb 0.17 -1.67 0.65 0.00 0.00 0.00 0.00 32.46 31.60 2i2t n ARG 50 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2i2t h GLN 51 N -0.41 0.00 0.48 5.56 4.20 -1.32 -2.20 115.11 121.42 2i2t h GLN 51 Ca -0.45 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 2i2t h GLN 51 Cb 1.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.52 2i2t h GLN 51 CO -0.09 0.00 -0.23 -0.09 -0.67 0.00 0.00 178.83 177.75 2i2t h ARG 52 N 0.00 -0.62 0.00 1.46 2.43 -1.45 -0.89 114.38 115.32 2i2t h ARG 52 Ca 0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2i2t h ARG 52 Cb 0.59 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2i2t h ARG 52 CO 0.00 -0.41 0.00 0.36 -1.51 0.00 0.00 179.97 178.41 2i2t n LYS 53 N -3.98 0.15 0.01 0.20 0.00 -0.85 -1.61 118.16 112.09 2i2t n LYS 53 Ca -0.08 0.04 -0.22 0.00 -0.00 0.00 0.00 58.31 58.05 2i2t n LYS 53 Cb 0.25 -1.50 -0.14 0.00 -0.00 0.00 0.00 35.03 33.64 2i2t n LYS 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2i2t h ARG 54 N 0.00 0.26 0.00 -1.58 3.08 -1.18 -3.25 114.38 111.71 2i2t h ARG 54 Ca 0.00 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2i2t h ARG 54 Cb 0.01 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2i2t h ARG 54 CO 0.00 1.21 -0.86 1.04 -1.07 0.00 0.00 179.97 180.29 2i2t n GLN 55 N -3.65 0.35 0.03 0.04 6.02 -0.41 -4.01 117.38 115.74 2i2t n GLN 55 Ca -0.30 0.05 -0.22 0.00 -0.01 0.00 0.00 57.00 56.52 2i2t n GLN 55 Cb 1.00 -1.67 -0.14 0.00 1.02 0.00 0.00 30.24 30.45 2i2t n GLN 55 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2i2t h PHE 56 N 0.00 0.53 0.00 1.08 0.05 -1.56 -0.45 116.94 116.59 2i2t h PHE 56 Ca 0.00 -0.38 0.00 0.00 3.82 0.00 0.00 57.97 61.41 2i2t h PHE 56 Cb 0.78 -0.02 0.00 0.00 2.00 0.00 0.00 35.95 38.71 2i2t h PHE 56 CO 0.00 1.62 0.00 -2.13 -0.18 0.00 0.00 178.31 177.62 2i2t n ARG 57 N -3.78 0.68 0.04 1.51 0.63 -1.23 -1.26 116.66 113.26 2i2t n ARG 57 Ca -0.26 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.67 2i2t n ARG 57 Cb 0.97 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 32.54 2i2t n ARG 57 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2i2t n GLN 58 N 0.14 0.00 -0.24 -0.14 7.27 -1.21 -4.50 117.38 118.71 2i2t n GLN 58 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.12 2i2t n GLN 58 Cb 0.17 -0.41 0.16 0.00 2.41 0.00 0.00 30.24 32.57 2i2t n GLN 58 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2i2t h LEU 59 N 0.00 -0.03 0.45 1.69 6.46 -0.30 1.27 115.31 124.84 2i2t h LEU 59 Ca 0.00 0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 2i2t h LEU 59 Cb 0.34 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 2i2t h LEU 59 CO 0.00 -0.05 -0.32 -0.50 -0.62 0.00 0.00 178.44 176.96 2i2t h TRP 60 N 0.25 -0.85 -0.67 1.25 6.55 -1.46 -2.46 115.95 118.55 2i2t h TRP 60 Ca 0.40 -0.00 0.14 0.00 0.95 0.00 0.00 58.89 60.38 2i2t h TRP 60 Cb 0.67 0.31 -0.12 0.00 -0.86 0.00 0.00 29.16 29.16 2i2t h TRP 60 CO -0.28 -0.46 -0.04 0.82 -1.05 0.00 0.00 178.44 177.44 2i2t h ILE 61 N -0.73 0.40 -0.96 1.49 2.04 -1.52 0.46 117.51 118.69 2i2t h ILE 61 Ca -0.06 -0.03 0.33 0.00 1.00 0.00 0.00 64.86 66.10 2i2t h ILE 61 Cb 0.60 0.32 -0.18 0.00 -0.74 0.00 0.00 36.82 36.82 2i2t h ILE 61 CO 0.03 0.01 0.26 0.00 0.00 0.00 0.00 178.15 178.45 2i2t n ALA 62 N -2.92 0.73 -0.07 1.87 0.00 0.43 -1.29 120.51 119.25 2i2t n ALA 62 Ca 0.10 1.01 -0.04 0.00 0.00 0.00 0.00 53.44 54.50 2i2t n ALA 62 Cb 0.39 -0.86 -0.15 0.00 0.00 0.00 0.00 19.45 18.83 2i2t n ALA 62 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2i2t n ARG 63 N -5.31 0.89 -0.32 0.00 1.85 0.15 -3.53 116.66 110.39 2i2t n ARG 63 Ca 0.29 -0.05 0.09 0.00 -1.00 0.00 0.00 57.85 57.18 2i2t n ARG 63 Cb 0.98 -1.47 0.25 0.00 -1.05 0.00 0.00 32.46 31.16 2i2t n ARG 63 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 2i2t h ILE 64 N 0.00 0.75 0.64 8.89 1.08 0.11 1.74 117.51 130.72 2i2t h ILE 64 Ca -0.38 -0.24 -0.03 0.00 -0.39 0.00 0.00 64.86 63.81 2i2t h ILE 64 Cb 1.84 -0.03 0.01 0.00 -3.07 0.00 0.00 36.82 35.57 2i2t h ILE 64 CO 0.02 0.13 -0.31 -1.13 -0.69 0.00 0.00 178.15 176.17 2i2t h ASN 65 N 0.71 -0.73 -1.06 1.72 -1.24 -1.38 -1.89 115.58 111.72 2i2t h ASN 65 Ca 0.50 -0.01 0.31 0.00 0.71 0.00 0.00 56.30 57.81 2i2t h ASN 65 Cb 0.70 0.19 -0.13 0.00 0.73 0.00 0.00 38.32 39.80 2i2t h ASN 65 CO -0.35 -0.36 0.64 0.00 -1.29 0.00 0.00 177.43 176.07 2i2t h ALA 66 N -1.02 2.10 0.12 1.57 0.00 -0.99 1.46 119.26 122.51 2i2t h ALA 66 Ca -0.09 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2i2t h ALA 66 Cb 0.69 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2i2t h ALA 66 CO 0.14 -0.64 -0.06 0.00 0.00 0.00 0.00 179.25 178.69 2i2t h ALA 67 N 1.74 -0.74 -0.93 0.00 0.00 0.27 0.27 119.26 119.86 2i2t h ALA 67 Ca 0.70 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.80 2i2t h ALA 67 Cb 1.68 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 2i2t h ALA 67 CO -0.48 -0.73 0.63 0.00 0.00 0.00 0.00 179.25 178.67 2i2t h ALA 68 N -1.87 2.37 0.44 0.00 0.00 -0.63 0.19 119.26 119.76 2i2t h ALA 68 Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2i2t h ALA 68 Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2i2t h ALA 68 CO 0.03 -0.68 -0.35 -0.09 0.00 0.00 0.00 179.25 178.16 2i2t h ARG 69 N 0.31 -0.76 -0.97 0.00 9.65 0.25 -1.57 114.38 121.27 2i2t h ARG 69 Ca 0.49 0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.49 2i2t h ARG 69 Cb 1.38 0.17 -0.07 0.00 -1.39 0.00 0.00 29.97 30.06 2i2t h ARG 69 CO -0.16 -0.51 0.62 0.37 2.80 0.00 0.00 179.97 183.09 2i2t h GLN 70 N -0.79 1.06 0.00 0.20 5.75 0.14 -3.40 115.11 118.08 2i2t h GLN 70 Ca -0.04 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 2i2t h GLN 70 Cb 0.68 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.99 2i2t h GLN 70 CO -0.01 0.70 0.00 -1.71 -2.65 0.00 0.00 178.83 175.16 2i2t n ASN 71 N -4.55 0.00 -0.04 -0.69 5.15 0.17 -5.00 115.26 110.29 2i2t n ASN 71 Ca 0.16 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 54.09 2i2t n ASN 71 Cb 0.22 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.40 2i2t n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2i2t n GLY 72 N 3.53 -0.44 3.34 8.20 0.00 -0.68 -5.03 105.19 114.11 2i2t n GLY 72 Ca 0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 2i2t n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2i2t s ILE 73 N -2.22 0.41 0.78 -0.61 1.10 -0.85 -4.99 121.20 114.83 2i2t s ILE 73 Ca -0.04 -2.00 -0.11 0.00 -0.51 0.00 0.00 60.65 57.99 2i2t s ILE 73 Cb 0.03 -2.54 0.08 0.00 0.15 0.00 0.00 42.46 40.17 2i2t s ILE 73 CO 0.37 0.00 1.14 -0.94 -2.11 0.00 0.00 174.94 173.40 2i2t s SER 74 N -3.37 4.55 0.06 4.50 1.04 -1.26 -2.24 113.70 116.97 2i2t s SER 74 Ca 0.36 0.67 -0.35 0.00 0.48 0.00 0.00 55.95 57.11 2i2t s SER 74 Cb 0.06 -1.20 -0.20 0.00 0.10 0.00 0.00 66.02 64.79 2i2t s SER 74 CO 0.16 -1.84 1.52 0.22 0.98 0.00 0.00 173.24 174.28 2i2t h TYR 75 N -0.94 -1.09 -0.56 5.02 3.20 -1.89 0.27 116.97 120.98 2i2t h TYR 75 Ca -0.45 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.44 2i2t h TYR 75 Cb 1.32 0.36 -0.07 0.00 1.54 0.00 0.00 36.73 39.89 2i2t h TYR 75 CO 0.28 -0.68 -0.33 0.43 -1.64 0.00 0.00 178.16 176.22 2i2t n SER 76 N -5.58 -0.59 -0.17 -2.11 7.64 -1.26 -0.77 113.62 110.78 2i2t n SER 76 Ca -0.15 1.32 -0.08 0.00 1.01 0.00 0.00 58.87 60.96 2i2t n SER 76 Cb 0.47 -0.29 0.01 0.00 -1.01 0.00 0.00 64.21 63.39 2i2t n SER 76 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2i2t h LYS 77 N 0.00 0.73 0.00 1.43 1.57 -1.87 -2.23 116.57 116.20 2i2t h LYS 77 Ca 0.09 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2i2t h LYS 77 Cb 0.23 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2i2t h LYS 77 CO -0.52 0.67 0.00 0.34 -0.57 0.00 0.00 179.45 179.36 2i2t n PHE 78 N -4.55 0.00 -0.21 -1.35 -0.00 0.08 -0.63 117.46 110.80 2i2t n PHE 78 Ca 0.01 0.00 0.20 0.00 -0.00 0.00 0.00 57.45 57.66 2i2t n PHE 78 Cb 0.17 -0.31 0.54 0.00 -0.00 0.00 0.00 39.48 39.88 2i2t n PHE 78 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 2i2t h ILE 79 N 0.00 0.68 -0.40 -2.13 -0.00 -1.36 -1.79 117.51 112.52 2i2t h ILE 79 Ca 0.00 -0.12 -0.70 0.00 -0.00 0.00 0.00 64.86 64.04 2i2t h ILE 79 Cb 0.00 0.31 -0.03 0.00 -0.00 0.00 0.00 36.82 37.10 2i2t h ILE 79 CO 0.00 0.06 3.31 -3.20 -0.00 0.00 0.00 178.15 178.32 2i2t n ASN 80 N -4.47 8.02 0.00 2.19 4.05 0.20 -1.95 115.26 123.30 2i2t n ASN 80 Ca 0.18 -2.78 0.00 0.00 0.45 0.00 0.00 54.58 52.43 2i2t n ASN 80 Cb 0.70 -1.51 0.00 0.00 1.23 0.00 0.00 39.78 40.20 2i2t n ASN 80 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2i2t n GLY 81 N 3.05 -0.13 0.27 8.20 0.00 -0.72 -4.79 105.19 111.06 2i2t n GLY 81 Ca 0.70 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.82 2i2t n GLY 81 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2i2t h LEU 82 N 0.00 0.00 0.05 0.99 3.38 -1.08 1.87 115.31 120.52 2i2t h LEU 82 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i2t h LEU 82 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2i2t h LEU 82 CO 0.00 0.00 -0.02 0.50 0.09 0.00 0.00 178.44 179.01 2i2t h LYS 83 N 0.00 -0.06 -1.01 1.13 1.63 -1.64 -3.28 116.57 113.34 2i2t h LYS 83 Ca -0.00 0.00 0.25 0.00 -0.85 0.00 0.00 60.65 60.05 2i2t h LYS 83 Cb 0.01 0.01 -0.12 0.00 -0.60 0.00 0.00 32.23 31.53 2i2t h LYS 83 CO 0.00 -0.04 0.61 0.87 -3.45 0.00 0.00 179.45 177.44 2i2t h LYS 84 N -0.92 0.53 -5.64 1.90 1.57 -1.72 -2.48 116.57 109.81 2i2t h LYS 84 Ca -0.01 -0.03 -0.41 0.00 -1.87 0.00 0.00 60.65 58.34 2i2t h LYS 84 Cb 0.05 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 2i2t h LYS 84 CO 0.01 0.35 1.23 0.00 -0.57 0.00 0.00 179.45 180.47 2i2t s ALA 85 N -5.72 2.11 0.00 3.86 0.00 0.63 -4.83 121.76 117.82 2i2t s ALA 85 Ca -0.10 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 49.70 2i2t s ALA 85 Cb 0.27 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.75 2i2t s ALA 85 CO 0.80 -4.67 0.00 0.45 0.00 0.00 0.00 175.76 172.33 2i2t n SER 86 N 12.80 0.00 0.00 0.00 2.88 -0.93 -4.52 113.62 123.85 2i2t n SER 86 Ca 0.44 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 2i2t n SER 86 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2i2t n SER 86 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2i2t n VAL 87 N 0.00 0.00 -2.61 2.46 0.31 -1.26 -4.97 118.33 112.27 2i2t n VAL 87 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2i2t n VAL 87 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 2i2t n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2i2t n GLU 88 N 14.00 -2.35 -0.00 5.55 0.00 -1.26 -4.59 120.64 131.99 2i2t n GLU 88 Ca 0.00 2.08 -0.00 0.00 0.00 0.00 0.00 57.16 59.24 2i2t n GLU 88 Cb 0.00 -4.94 -0.00 0.00 0.00 0.00 0.00 31.44 26.50 2i2t n GLU 88 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2i2t h ILE 89 N 2.00 0.00 -7.03 6.31 1.08 -1.93 -3.46 117.51 114.48 2i2t h ILE 89 Ca 0.00 -0.01 -0.60 0.00 -0.39 0.00 0.00 64.86 63.86 2i2t h ILE 89 Cb 0.56 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.15 2i2t h ILE 89 CO 0.14 0.00 -0.96 -0.90 -0.69 0.00 0.00 178.15 175.74 2i2t n ASP 90 N -2.24 -0.43 0.00 1.72 5.75 -1.26 -4.73 116.55 115.36 2i2t n ASP 90 Ca -0.00 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.52 2i2t n ASP 90 Cb 0.00 -1.55 0.00 0.00 -1.03 0.00 0.00 41.12 38.54 2i2t n ASP 90 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2i2t n ARG 91 N -4.66 0.00 0.00 0.11 3.00 -1.26 -3.36 116.66 110.50 2i2t n ARG 91 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.58 2i2t n ARG 91 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.11 2i2t n ARG 91 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2i2t n LYS 92 N 5.01 3.46 0.11 5.56 5.02 -1.26 -4.50 118.16 131.56 2i2t n LYS 92 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 2i2t n LYS 92 Cb 0.00 -0.57 -0.13 0.00 -0.02 0.00 0.00 35.03 34.31 2i2t n LYS 92 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2i2t h ILE 93 N 0.00 1.42 0.00 -0.18 2.10 -1.95 -2.46 117.51 116.44 2i2t h ILE 93 Ca 0.00 -2.83 0.00 0.00 1.08 0.00 0.00 64.86 63.11 2i2t h ILE 93 Cb 0.05 2.85 0.00 0.00 -1.09 0.00 0.00 36.82 38.63 2i2t h ILE 93 CO 0.00 0.84 0.00 0.18 -1.08 0.00 0.00 178.15 178.09 2i2t n LEU 94 N -3.63 0.00 -1.25 2.19 7.99 -1.25 -2.27 117.00 118.78 2i2t n LEU 94 Ca -0.10 0.45 0.02 0.00 -0.01 0.00 0.00 56.01 56.36 2i2t n LEU 94 Cb 1.00 -0.45 0.19 0.00 -0.11 0.00 0.00 43.42 44.05 2i2t n LEU 94 CO 0.55 -0.08 0.60 0.00 -1.51 0.00 0.00 177.39 176.95 2i2t n ALA 95 N -1.45 3.30 1.41 -1.18 0.00 -0.93 -3.70 120.51 117.96 2i2t n ALA 95 Ca 0.07 -1.01 0.14 0.00 0.00 0.00 0.00 53.44 52.64 2i2t n ALA 95 Cb 0.26 -1.08 0.68 0.00 0.00 0.00 0.00 19.45 19.31 2i2t n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2i2t n ASP 96 N 0.24 0.23 -1.95 0.00 3.85 -0.96 -4.04 116.55 113.93 2i2t n ASP 96 Ca 0.16 -0.35 -0.02 0.00 -0.71 0.00 0.00 54.79 53.87 2i2t n ASP 96 Cb 0.77 -0.17 -0.02 0.00 -1.35 0.00 0.00 41.12 40.34 2i2t n ASP 96 CO 0.00 0.00 0.00 2.30 -1.01 0.00 0.00 177.20 178.49 2i2t n ILE 97 N -1.14 1.03 -1.96 2.12 -5.35 -1.24 -2.03 119.36 110.78 2i2t n ILE 97 Ca 0.14 -0.37 0.04 0.00 -0.27 0.00 0.00 62.75 62.29 2i2t n ILE 97 Cb 0.26 -1.39 0.05 0.00 -1.74 0.00 0.00 39.64 36.83 2i2t n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2i2t n ALA 98 N 2.11 2.36 0.00 -1.28 0.00 -1.26 -4.22 120.51 118.22 2i2t n ALA 98 Ca 0.06 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.54 2i2t n ALA 98 Cb 0.28 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2i2t n ALA 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2i2t n VAL 99 N -0.20 0.00 -4.41 0.00 0.31 -0.86 -4.88 118.33 108.29 2i2t n VAL 99 Ca 0.07 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.18 2i2t n VAL 99 Cb 0.83 -0.18 -0.10 0.00 -0.91 0.00 0.00 33.84 33.48 2i2t n VAL 99 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2i2t s PHE 100 N -1.34 2.00 -1.57 3.52 0.40 -1.26 -4.57 117.98 115.18 2i2t s PHE 100 Ca 0.00 -0.46 -0.04 0.00 -0.60 0.00 0.00 56.93 55.84 2i2t s PHE 100 Cb 0.00 -0.90 0.01 0.00 0.51 0.00 0.00 43.02 42.64 2i2t s PHE 100 CO 0.00 0.54 0.42 -0.25 0.70 0.00 0.00 175.22 176.63 2i2t n ASP 101 N -0.51 -5.75 0.25 1.36 10.43 -1.26 -4.42 116.55 116.65 2i2t n ASP 101 Ca -0.06 -0.21 0.08 0.00 2.57 0.00 0.00 54.79 57.17 2i2t n ASP 101 Cb 0.60 -4.70 0.63 0.00 1.84 0.00 0.00 41.12 39.49 2i2t n ASP 101 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 2i2t h LYS 102 N -0.95 0.00 -0.05 -1.24 3.64 -1.80 0.37 116.57 116.54 2i2t h LYS 102 Ca -0.50 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 2i2t h LYS 102 Cb 1.35 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2i2t h LYS 102 CO 0.56 0.10 0.01 0.28 -2.27 0.00 0.00 179.45 178.13 2i2t h VAL 103 N 0.00 1.21 -1.89 2.00 2.07 -1.91 -3.39 116.25 114.35 2i2t h VAL 103 Ca -0.00 -0.65 -0.12 0.00 0.82 0.00 0.00 66.70 66.76 2i2t h VAL 103 Cb 0.20 1.55 0.06 0.00 -1.52 0.00 0.00 31.29 31.58 2i2t h VAL 103 CO 0.01 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.78 2i2t n ALA 104 N -2.24 -1.25 0.00 1.67 0.00 0.13 -3.56 120.51 115.26 2i2t n ALA 104 Ca -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2i2t n ALA 104 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2i2t n ALA 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2i2t n PHE 105 N -3.46 0.00 0.19 0.00 -0.00 -1.24 -4.28 117.46 108.67 2i2t n PHE 105 Ca 0.04 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.66 2i2t n PHE 105 Cb 0.18 0.00 0.80 0.00 -0.00 0.00 0.00 39.48 40.46 2i2t n PHE 105 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2i2t h THR 106 N 0.00 0.55 0.02 -2.13 2.02 -1.76 1.12 112.91 112.74 2i2t h THR 106 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2i2t h THR 106 Cb 0.00 0.85 0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2i2t h THR 106 CO 0.00 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.59 2i2t h ALA 107 N 1.80 0.00 -1.00 6.16 0.00 -1.74 -1.97 119.26 122.51 2i2t h ALA 107 Ca 0.09 -0.52 0.19 0.00 0.00 0.00 0.00 54.91 54.68 2i2t h ALA 107 Cb 0.48 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 2i2t h ALA 107 CO -0.00 0.12 0.61 -0.07 0.00 0.00 0.00 179.25 179.92 2i2t h LEU 108 N -0.58 0.78 0.67 0.00 3.38 -0.56 1.01 115.31 120.01 2i2t h LEU 108 Ca -0.04 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2i2t h LEU 108 Cb 1.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2i2t h LEU 108 CO 0.06 0.28 -0.45 0.58 0.09 0.00 0.00 178.44 179.00 2i2t h VAL 109 N 0.76 0.00 -0.64 1.22 2.07 0.11 -2.41 116.25 117.36 2i2t h VAL 109 Ca 0.58 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.14 2i2t h VAL 109 Cb 0.90 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 2i2t h VAL 109 CO -0.37 0.00 0.37 -0.08 0.02 0.00 0.00 177.57 177.51 2i2t h GLU 110 N -1.06 0.69 0.00 1.57 4.57 -0.33 0.91 114.58 120.94 2i2t h GLU 110 Ca -0.09 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2i2t h GLU 110 Cb 0.86 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 2i2t h GLU 110 CO 0.07 0.46 0.11 1.17 -1.18 0.00 0.00 179.01 179.63 2i2t n LYS 111 N -4.76 0.06 -0.04 1.92 3.00 0.33 -1.67 118.16 117.01 2i2t n LYS 111 Ca 0.07 0.52 -0.05 0.00 -0.00 0.00 0.00 58.31 58.85 2i2t n LYS 111 Cb 0.13 -1.82 -0.03 0.00 0.00 0.00 0.00 35.03 33.31 2i2t n LYS 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2i2t n ALA 112 N -1.56 1.85 -0.03 3.14 0.00 -0.07 -4.18 120.51 119.66 2i2t n ALA 112 Ca -0.01 -0.30 0.23 0.00 0.00 0.00 0.00 53.44 53.35 2i2t n ALA 112 Cb 0.12 0.33 0.72 0.00 0.00 0.00 0.00 19.45 20.62 2i2t n ALA 112 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2i2t h LYS 113 N 0.00 0.00 0.00 0.00 3.64 0.17 0.68 116.57 121.05 2i2t h LYS 113 Ca -0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2i2t h LYS 113 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2i2t h LYS 113 CO -0.02 0.00 -1.10 0.00 -2.27 0.00 0.00 179.45 176.06 2i2t n ALA 114 N -2.59 3.00 -0.04 5.00 0.00 -0.67 -3.94 120.51 121.27 2i2t n ALA 114 Ca 0.12 -0.35 0.09 0.00 0.00 0.00 0.00 53.44 53.30 2i2t n ALA 114 Cb 0.71 -1.01 0.48 0.00 0.00 0.00 0.00 19.45 19.63 2i2t n ALA 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2t h ALA 115 N 2.30 1.90 -1.03 0.00 0.00 0.21 0.05 119.26 122.69 2i2t h ALA 115 Ca 0.00 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.28 2i2t h ALA 115 Cb 0.85 -0.11 -0.38 0.00 0.00 0.00 0.00 17.79 18.15 2i2t h ALA 115 CO 0.00 0.01 -0.24 -0.11 0.00 0.00 0.00 179.25 178.91 2i2t n LEU 116 N -4.47 5.73 0.00 0.00 7.94 -1.16 -4.78 117.00 120.26 2i2t n LEU 116 Ca 0.07 -4.80 0.00 0.00 -1.11 0.00 0.00 56.01 50.17 2i2t n LEU 116 Cb 0.25 -0.59 0.00 0.00 0.53 0.00 0.00 43.42 43.61 2i2t n LEU 116 CO 0.34 1.98 0.21 0.00 -1.11 0.00 0.00 177.39 178.82