#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n ARG 2 N 0.00 3.58 -3.44 0.00 1.74 -1.26 -5.16 116.66 112.13 3i1p n ARG 2 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 3i1p n ARG 2 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 3i1p n ARG 2 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i1p s VAL 3 N 3.31 0.00 0.00 1.55 0.11 -1.26 -5.12 120.40 119.00 3i1p s VAL 3 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3i1p s VAL 3 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3i1p s VAL 3 CO 0.00 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 172.94 3i1p n LYS 4 N -0.26 0.00 -1.55 1.54 4.81 -1.26 -5.06 118.16 116.38 3i1p n LYS 4 Ca -0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.28 3i1p n LYS 4 Cb 0.64 -0.30 0.00 0.00 0.02 0.00 0.00 35.03 35.39 3i1p n LYS 4 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3i1p n ARG 5 N -0.55 -0.05 0.00 1.64 1.74 -1.26 -5.04 116.66 113.14 3i1p n ARG 5 Ca 0.00 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 3i1p n ARG 5 Cb 0.00 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 3i1p n ARG 5 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1p n GLY 6 N -1.09 -1.84 0.22 -0.13 0.00 -1.26 -4.72 105.19 96.38 3i1p n GLY 6 Ca -0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3i1p n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i1p n VAL 7 N -0.91 0.00 -2.62 1.61 0.24 -1.26 -0.81 118.33 114.58 3i1p n VAL 7 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i1p n VAL 7 Cb 0.00 -0.25 0.04 0.00 -1.47 0.00 0.00 33.84 32.17 3i1p n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1p n ILE 8 N -0.19 0.54 0.00 1.34 3.06 -1.26 -4.83 119.36 118.02 3i1p n ILE 8 Ca 0.00 -1.71 0.00 0.00 -2.50 0.00 0.00 62.75 58.54 3i1p n ILE 8 Cb 0.06 1.08 0.00 0.00 0.54 0.00 0.00 39.64 41.32 3i1p n ILE 8 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3i1p n ALA 9 N -0.35 0.47 0.21 1.51 0.00 0.01 -4.74 120.51 117.62 3i1p n ALA 9 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.45 3i1p n ALA 9 Cb 0.91 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.46 3i1p n ALA 9 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3i1p n ARG 10 N 0.00 0.10 0.15 0.00 1.85 -1.13 -1.43 116.66 116.21 3i1p n ARG 10 Ca 0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 57.85 56.79 3i1p n ARG 10 Cb 0.00 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 29.88 3i1p n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i1p h ALA 11 N 2.21 -0.83 -0.23 2.89 0.00 -1.88 0.77 119.26 122.18 3i1p h ALA 11 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i1p h ALA 11 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3i1p h ALA 11 CO 0.00 -0.80 0.02 0.07 0.00 0.00 0.00 179.25 178.54 3i1p h ARG 12 N -0.52 0.10 -0.98 0.00 -0.00 -1.58 -1.89 114.38 109.51 3i1p h ARG 12 Ca -0.04 -0.01 0.24 0.00 -0.00 0.00 0.00 59.98 60.17 3i1p h ARG 12 Cb 0.31 -0.02 -0.12 0.00 -0.00 0.00 0.00 29.97 30.13 3i1p h ARG 12 CO 0.07 0.07 0.55 0.45 -0.00 0.00 0.00 179.97 181.11 3i1p h HIS 13 N 0.10 0.94 -0.57 4.08 3.86 -1.45 0.16 115.15 122.27 3i1p h HIS 13 Ca 0.11 0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 3i1p h HIS 13 Cb 0.12 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 3i1p h HIS 13 CO -0.17 0.04 0.19 -0.22 0.86 0.00 0.00 177.93 178.63 3i1p h LYS 14 N 0.54 0.87 0.49 2.45 3.64 -0.06 -2.34 116.57 122.16 3i1p h LYS 14 Ca 0.63 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.80 3i1p h LYS 14 Cb 1.19 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3i1p h LYS 14 CO -0.49 0.78 -0.23 -0.22 -2.27 0.00 0.00 179.45 177.02 3i1p h LYS 15 N 0.79 -0.63 -0.48 1.90 3.11 -0.14 0.14 116.57 121.26 3i1p h LYS 15 Ca 0.18 0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 58.02 3i1p h LYS 15 Cb 0.27 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.62 3i1p h LYS 15 CO -0.01 -0.41 0.13 0.82 -2.81 0.00 0.00 179.45 177.18 3i1p h ILE 16 N -0.68 1.23 -0.01 2.00 5.03 -1.57 -1.60 117.51 121.92 3i1p h ILE 16 Ca -0.07 -0.80 0.00 0.00 -0.12 0.00 0.00 64.86 63.88 3i1p h ILE 16 Cb 0.51 0.85 -0.00 0.00 -3.03 0.00 0.00 36.82 35.15 3i1p h ILE 16 CO 0.11 0.29 0.12 0.25 -0.68 0.00 0.00 178.15 178.23 3i1p h LEU 17 N 0.64 0.00 0.12 1.44 5.85 -1.24 -0.40 115.31 121.72 3i1p h LEU 17 Ca 0.15 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.55 3i1p h LEU 17 Cb 0.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3i1p h LEU 17 CO -0.00 0.00 -1.68 0.50 -0.34 0.00 0.00 178.44 176.92 3i1p h LYS 18 N 0.00 0.25 0.00 1.25 3.11 -0.01 -3.26 116.57 117.91 3i1p h LYS 18 Ca 0.00 -0.43 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 3i1p h LYS 18 Cb 0.23 0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 3i1p h LYS 18 CO -0.00 1.10 0.00 1.04 -2.81 0.00 0.00 179.45 178.78 3i1p n GLN 19 N -3.44 0.10 0.00 1.90 6.02 -0.20 -2.76 117.38 119.00 3i1p n GLN 19 Ca -0.21 0.35 0.06 0.00 -0.01 0.00 0.00 57.00 57.20 3i1p n GLN 19 Cb 1.05 -1.70 0.04 0.00 1.02 0.00 0.00 30.24 30.65 3i1p n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i1p n ALA 20 N -1.64 2.63 -2.13 -1.58 0.00 -0.97 -4.95 120.51 111.86 3i1p n ALA 20 Ca 0.03 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.48 3i1p n ALA 20 Cb 0.19 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 3i1p n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i1p s LYS 21 N -1.22 3.67 0.00 0.00 -0.14 -1.11 -2.93 119.74 118.00 3i1p s LYS 21 Ca 0.13 1.50 0.00 0.00 -1.36 0.00 0.00 55.97 56.25 3i1p s LYS 21 Cb 0.10 -4.06 0.00 0.00 -1.68 0.00 0.00 37.83 32.19 3i1p s LYS 21 CO 0.21 -1.45 0.00 0.41 -0.76 0.00 0.00 175.35 173.76 3i1p n GLY 22 N 4.87 1.18 0.00 -3.33 0.00 -1.26 -5.09 105.19 101.57 3i1p n GLY 22 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3i1p n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i1p n TYR 23 N 0.00 0.00 -4.17 1.61 0.53 -1.15 -5.08 117.16 108.90 3i1p n TYR 23 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.90 56.77 3i1p n TYR 23 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 38.21 3i1p n TYR 23 CO 0.00 0.00 0.00 -0.47 -1.02 0.00 0.00 176.86 175.37 3i1p s TYR 24 N 0.00 0.96 0.00 -0.72 5.04 -1.26 -4.82 117.35 116.55 3i1p s TYR 24 Ca 0.00 -1.19 0.00 0.00 -2.44 0.00 0.00 57.07 53.44 3i1p s TYR 24 Cb 0.00 -0.54 0.00 0.00 0.35 0.00 0.00 41.96 41.77 3i1p s TYR 24 CO 0.00 -0.45 0.00 0.41 -1.34 0.00 0.00 175.55 174.17 3i1p n GLY 25 N -0.14 0.75 0.00 8.97 0.00 -1.26 -1.35 105.19 112.16 3i1p n GLY 25 Ca -0.05 -0.81 0.05 0.00 0.00 0.00 0.00 46.02 45.20 3i1p n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1p n ALA 26 N 1.92 1.86 0.26 4.61 0.00 -1.26 -2.89 120.51 124.99 3i1p n ALA 26 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.50 3i1p n ALA 26 Cb 0.00 -1.17 0.67 0.00 0.00 0.00 0.00 19.45 18.95 3i1p n ALA 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i1p h ARG 27 N 0.00 0.00 -0.84 0.00 2.43 -1.50 0.39 114.38 114.86 3i1p h ARG 27 Ca 0.00 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.62 3i1p h ARG 27 Cb 0.01 0.00 -0.43 0.00 -0.42 0.00 0.00 29.97 29.13 3i1p h ARG 27 CO 0.00 0.14 -0.81 -1.13 -1.51 0.00 0.00 179.97 176.66 3i1p n SER 28 N -3.54 4.88 0.00 -3.80 3.41 -1.14 -3.68 113.62 109.75 3i1p n SER 28 Ca -0.01 -3.73 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 3i1p n SER 28 Cb 0.28 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 3i1p n SER 28 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3i1p n ARG 29 N -0.68 0.00 -3.75 4.33 1.85 -1.11 -4.71 116.66 112.59 3i1p n ARG 29 Ca 0.43 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.91 3i1p n ARG 29 Cb 0.93 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 32.22 3i1p n ARG 29 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3i1p s VAL 30 N -0.27 4.03 0.05 8.89 1.01 0.14 -5.03 120.40 129.22 3i1p s VAL 30 Ca 0.00 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 3i1p s VAL 30 Cb 0.00 -3.09 -0.07 0.00 0.00 0.00 0.00 36.38 33.22 3i1p s VAL 30 CO 0.00 0.05 1.26 0.22 0.00 0.00 0.00 175.10 176.64 3i1p h TYR 31 N 8.25 -0.75 -1.73 5.22 3.20 -1.94 0.22 116.97 129.45 3i1p h TYR 31 Ca -0.31 0.02 0.50 0.00 3.14 0.00 0.00 58.73 62.09 3i1p h TYR 31 Cb 1.13 0.32 -0.07 0.00 1.54 0.00 0.00 36.73 39.65 3i1p h TYR 31 CO 0.61 -0.27 1.38 0.54 -1.64 0.00 0.00 178.16 178.78 3i1p n ARG 32 N -3.89 0.00 -0.03 1.82 1.74 -1.26 0.80 116.66 115.84 3i1p n ARG 32 Ca -0.04 1.07 -0.19 0.00 -0.77 0.00 0.00 57.85 57.92 3i1p n ARG 32 Cb 0.19 -2.52 -0.14 0.00 -1.02 0.00 0.00 32.46 28.97 3i1p n ARG 32 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i1p n VAL 33 N -3.73 1.69 -0.08 1.55 0.31 -0.32 -4.28 118.33 113.47 3i1p n VAL 33 Ca 0.39 -0.66 0.01 0.00 -0.01 0.00 0.00 64.34 64.07 3i1p n VAL 33 Cb 1.90 -1.56 0.30 0.00 -0.91 0.00 0.00 33.84 33.56 3i1p n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1p h ALA 34 N 0.17 1.45 0.21 3.52 0.00 0.35 -2.96 119.26 122.01 3i1p h ALA 34 Ca -0.45 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.35 3i1p h ALA 34 Cb 2.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 3i1p h ALA 34 CO 0.05 0.43 -0.23 0.35 0.00 0.00 0.00 179.25 179.84 3i1p h PHE 35 N 0.70 -0.62 0.00 0.00 3.04 -1.32 0.78 116.94 119.52 3i1p h PHE 35 Ca 0.17 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 3i1p h PHE 35 Cb 0.11 0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.86 3i1p h PHE 35 CO 0.01 -0.34 -0.03 1.96 -2.02 0.00 0.00 178.31 177.89 3i1p h GLN 36 N -0.49 0.00 0.00 1.11 4.20 -1.75 -2.65 115.11 115.53 3i1p h GLN 36 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3i1p h GLN 36 Cb 0.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3i1p h GLN 36 CO -0.07 0.03 -1.12 0.00 -0.67 0.00 0.00 178.83 177.00 3i1p n ALA 37 N -2.14 2.35 -0.06 3.87 0.00 -0.32 -2.44 120.51 121.77 3i1p n ALA 37 Ca -0.02 -0.32 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 3i1p n ALA 37 Cb 0.18 -1.07 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 3i1p n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1p h VAL 38 N 0.00 1.46 -0.14 0.00 2.07 -0.77 -3.02 116.25 115.84 3i1p h VAL 38 Ca -0.05 -2.32 0.01 0.00 0.82 0.00 0.00 66.70 65.17 3i1p h VAL 38 Cb 1.17 2.98 -0.02 0.00 -1.52 0.00 0.00 31.29 33.90 3i1p h VAL 38 CO 0.01 0.54 -0.13 0.40 0.02 0.00 0.00 177.57 178.41 3i1p h ILE 39 N -0.89 0.00 -0.56 4.57 1.08 -1.59 1.83 117.51 121.96 3i1p h ILE 39 Ca -0.14 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.43 3i1p h ILE 39 Cb 1.20 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.84 3i1p h ILE 39 CO -0.04 0.00 -0.31 0.11 -0.69 0.00 0.00 178.15 177.21 3i1p h LYS 40 N -0.06 -0.16 -1.01 2.37 1.79 -1.67 0.98 116.57 118.81 3i1p h LYS 40 Ca 0.02 0.01 0.23 0.00 -2.18 0.00 0.00 60.65 58.73 3i1p h LYS 40 Cb 0.13 0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 30.70 3i1p h LYS 40 CO -0.17 -0.11 0.61 0.00 -1.08 0.00 0.00 179.45 178.71 3i1p h ALA 41 N 1.02 1.82 -0.09 3.86 0.00 -1.02 0.23 119.26 125.07 3i1p h ALA 41 Ca 0.23 0.10 -0.20 0.00 0.00 0.00 0.00 54.91 55.04 3i1p h ALA 41 Cb 0.54 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i1p h ALA 41 CO -0.65 -0.24 -0.76 0.78 0.00 0.00 0.00 179.25 178.38 3i1p h GLY 42 N 0.62 0.54 0.84 0.00 0.00 0.94 -0.72 103.07 105.29 3i1p h GLY 42 Ca 0.61 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3i1p h GLY 42 CO -0.41 0.69 -0.35 1.46 0.00 0.00 0.00 176.54 177.93 3i1p h GLN 43 N 0.33 -0.93 -0.94 4.80 4.20 0.28 -2.47 115.11 120.38 3i1p h GLN 43 Ca -0.04 0.06 0.21 0.00 0.06 0.00 0.00 58.65 58.94 3i1p h GLN 43 Cb 1.35 0.21 -0.08 0.00 0.30 0.00 0.00 27.48 29.26 3i1p h GLN 43 CO 0.14 -0.60 0.61 1.88 -0.67 0.00 0.00 178.83 180.19 3i1p h TYR 44 N -1.15 0.64 0.00 2.96 0.99 -0.72 -1.78 116.97 117.92 3i1p h TYR 44 Ca -0.10 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.65 3i1p h TYR 44 Cb 0.77 -0.19 0.00 0.00 1.00 0.00 0.00 36.73 38.30 3i1p h TYR 44 CO -0.00 0.15 0.00 0.00 -0.00 0.00 0.00 178.16 178.31 3i1p n ALA 45 N -2.48 -0.02 -0.43 3.88 0.00 -0.28 -1.45 120.51 119.74 3i1p n ALA 45 Ca 0.21 0.00 0.35 0.00 0.00 0.00 0.00 53.44 54.00 3i1p n ALA 45 Cb 0.70 0.11 0.63 0.00 0.00 0.00 0.00 19.45 20.89 3i1p n ALA 45 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3i1p h TYR 46 N 0.00 0.52 -0.01 0.00 3.20 -0.97 -0.92 116.97 118.79 3i1p h TYR 46 Ca 0.00 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.66 3i1p h TYR 46 Cb 0.00 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.14 3i1p h TYR 46 CO -0.02 -0.16 -0.94 -0.09 -1.64 0.00 0.00 178.16 175.32 3i1p h ARG 47 N 0.13 0.49 -0.00 1.82 2.43 -1.21 -3.05 114.38 114.99 3i1p h ARG 47 Ca 0.78 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3i1p h ARG 47 Cb 2.42 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 32.11 3i1p h ARG 47 CO -0.39 1.15 -0.01 -0.25 -1.51 0.00 0.00 179.97 178.97 3i1p n ASP 48 N -3.78 0.03 0.30 -3.80 10.43 -0.37 -1.99 116.55 117.37 3i1p n ASP 48 Ca -0.07 -0.38 0.17 0.00 2.57 0.00 0.00 54.79 57.08 3i1p n ASP 48 Cb 0.83 -0.20 0.92 0.00 1.84 0.00 0.00 41.12 44.50 3i1p n ASP 48 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 3i1p h ARG 49 N 0.04 0.00 0.00 -1.24 9.65 -1.39 -0.94 114.38 120.50 3i1p h ARG 49 Ca 0.00 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 58.43 3i1p h ARG 49 Cb 0.22 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 28.73 3i1p h ARG 49 CO 0.00 0.04 -2.52 0.54 2.80 0.00 0.00 179.97 180.83 3i1p n ARG 50 N -3.44 0.60 -0.33 0.20 3.00 -0.84 -4.23 116.66 111.62 3i1p n ARG 50 Ca -0.02 0.23 0.06 0.00 -0.01 0.00 0.00 57.85 58.11 3i1p n ARG 50 Cb 0.16 -1.49 0.14 0.00 0.00 0.00 0.00 32.46 31.28 3i1p n ARG 50 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3i1p h GLN 51 N -0.78 0.00 -0.88 5.56 1.08 -1.50 0.70 115.11 119.30 3i1p h GLN 51 Ca -0.67 -0.00 0.18 0.00 -1.45 0.00 0.00 58.65 56.70 3i1p h GLN 51 Cb 1.67 -0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 29.00 3i1p h GLN 51 CO -0.35 0.00 0.44 -0.09 -0.95 0.00 0.00 178.83 177.88 3i1p h ARG 52 N 0.00 0.54 0.00 1.46 2.43 -1.36 0.22 114.38 117.68 3i1p h ARG 52 Ca 0.46 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.51 3i1p h ARG 52 Cb 0.73 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3i1p h ARG 52 CO -0.96 0.36 -0.40 0.87 -1.51 0.00 0.00 179.97 178.33 3i1p h LYS 53 N 0.56 0.00 0.00 0.20 1.57 -1.04 -2.80 116.57 115.06 3i1p h LYS 53 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 3i1p h LYS 53 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3i1p h LYS 53 CO -0.42 0.40 -1.30 0.54 -0.57 0.00 0.00 179.45 178.10 3i1p n ARG 54 N -3.24 0.50 0.03 3.15 3.00 -0.59 -4.02 116.66 115.50 3i1p n ARG 54 Ca 0.02 -0.02 -0.03 0.00 -0.01 0.00 0.00 57.85 57.82 3i1p n ARG 54 Cb 0.67 -1.65 -0.09 0.00 0.00 0.00 0.00 32.46 31.38 3i1p n ARG 54 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3i1p h GLN 55 N 0.00 0.00 -0.00 5.56 1.08 -0.61 -3.08 115.11 118.06 3i1p h GLN 55 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i1p h GLN 55 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 3i1p h GLN 55 CO 0.00 0.42 -0.06 1.19 -0.95 0.00 0.00 178.83 179.43 3i1p n PHE 56 N -3.01 0.00 -0.07 2.96 0.99 -1.06 -3.52 117.46 113.76 3i1p n PHE 56 Ca -0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.29 3i1p n PHE 56 Cb 0.89 -0.45 -0.04 0.00 -1.00 0.00 0.00 39.48 38.88 3i1p n PHE 56 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 3i1p h ARG 57 N 0.01 0.00 -1.42 -1.08 1.12 -1.69 -3.02 114.38 108.29 3i1p h ARG 57 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3i1p h ARG 57 Cb 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.44 3i1p h ARG 57 CO 0.00 0.28 0.00 1.04 -3.11 0.00 0.00 179.97 178.18 3i1p n GLN 58 N -4.66 0.37 0.07 0.20 6.02 -1.17 -2.27 117.38 115.95 3i1p n GLN 58 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3i1p n GLN 58 Cb 0.25 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.22 3i1p n GLN 58 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3i1p n LEU 59 N 0.73 0.26 0.25 1.08 -0.00 -1.23 -4.52 117.00 113.57 3i1p n LEU 59 Ca 0.00 0.22 -0.16 0.00 -0.00 0.00 0.00 56.01 56.07 3i1p n LEU 59 Cb 0.17 0.05 -0.08 0.00 -0.00 0.00 0.00 43.42 43.56 3i1p n LEU 59 CO 0.00 -0.60 0.62 -0.50 -0.00 0.00 0.00 177.39 176.91 3i1p h TRP 60 N 0.00 -1.01 -0.85 1.96 6.55 -1.32 -2.22 115.95 119.05 3i1p h TRP 60 Ca 0.00 0.00 0.20 0.00 0.95 0.00 0.00 58.89 60.04 3i1p h TRP 60 Cb 0.16 0.39 -0.16 0.00 -0.86 0.00 0.00 29.16 28.70 3i1p h TRP 60 CO 0.00 -0.53 -0.05 0.82 -1.05 0.00 0.00 178.44 177.63 3i1p h ILE 61 N -0.79 0.19 -1.14 1.49 5.03 -1.75 0.26 117.51 120.80 3i1p h ILE 61 Ca -0.04 -0.02 0.33 0.00 -0.12 0.00 0.00 64.86 65.02 3i1p h ILE 61 Cb 0.70 0.14 -0.11 0.00 -3.03 0.00 0.00 36.82 34.52 3i1p h ILE 61 CO -0.04 0.01 0.73 0.00 -0.68 0.00 0.00 178.15 178.16 3i1p h ALA 62 N 1.83 2.40 0.02 1.87 0.00 -1.63 0.41 119.26 124.16 3i1p h ALA 62 Ca 0.47 0.09 -0.32 0.00 0.00 0.00 0.00 54.91 55.15 3i1p h ALA 62 Cb 0.84 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3i1p h ALA 62 CO -0.80 -0.90 -1.74 2.89 0.00 0.00 0.00 179.25 178.69 3i1p n ARG 63 N -4.68 0.61 -0.30 0.00 0.00 0.72 -3.67 116.66 109.34 3i1p n ARG 63 Ca 0.30 0.43 0.13 0.00 -0.00 0.00 0.00 57.85 58.71 3i1p n ARG 63 Cb 1.09 -1.67 0.28 0.00 -0.00 0.00 0.00 32.46 32.15 3i1p n ARG 63 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3i1p h ILE 64 N -0.74 0.26 -0.17 8.89 1.08 -0.41 0.99 117.51 127.41 3i1p h ILE 64 Ca -0.45 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 63.96 3i1p h ILE 64 Cb 1.54 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 3i1p h ILE 64 CO -0.19 0.03 0.10 -1.13 -0.69 0.00 0.00 178.15 176.26 3i1p h ASN 65 N 0.15 0.20 0.12 1.72 -1.24 -0.36 0.54 115.58 116.71 3i1p h ASN 65 Ca 0.55 -0.01 -0.36 0.00 0.71 0.00 0.00 56.30 57.20 3i1p h ASN 65 Cb 1.12 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 40.10 3i1p h ASN 65 CO -0.71 0.16 -1.95 0.00 -1.29 0.00 0.00 177.43 173.64 3i1p n ALA 66 N -2.51 0.86 0.68 1.57 0.00 0.29 -0.51 120.51 120.90 3i1p n ALA 66 Ca -0.00 -0.57 0.10 0.00 0.00 0.00 0.00 53.44 52.97 3i1p n ALA 66 Cb 0.09 -0.69 0.44 0.00 0.00 0.00 0.00 19.45 19.29 3i1p n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n ALA 67 N -3.01 1.94 -0.09 0.00 0.00 0.17 0.11 120.51 119.63 3i1p n ALA 67 Ca -0.32 -0.05 -0.17 0.00 0.00 0.00 0.00 53.44 52.90 3i1p n ALA 67 Cb 1.03 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.03 3i1p n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p h ALA 68 N 2.66 0.16 -0.65 0.00 0.00 0.02 -3.23 119.26 118.21 3i1p h ALA 68 Ca 0.00 -0.91 0.14 0.00 0.00 0.00 0.00 54.91 54.14 3i1p h ALA 68 Cb 0.38 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3i1p h ALA 68 CO 0.00 0.48 0.44 -0.09 0.00 0.00 0.00 179.25 180.09 3i1p h ARG 69 N -1.00 0.26 -0.01 0.00 9.65 -0.18 -2.08 114.38 121.03 3i1p h ARG 69 Ca -0.21 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 3i1p h ARG 69 Cb 1.08 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 3i1p h ARG 69 CO -0.13 0.18 -0.39 0.94 2.80 0.00 0.00 179.97 183.37 3i1p n GLN 70 N -4.44 1.00 -2.22 0.20 -0.06 0.30 -4.06 117.38 108.11 3i1p n GLN 70 Ca 0.12 -0.74 -0.20 0.00 -2.00 0.00 0.00 57.00 54.18 3i1p n GLN 70 Cb 0.53 -1.48 0.02 0.00 -4.06 0.00 0.00 30.24 25.25 3i1p n GLN 70 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 3i1p n ASN 71 N -0.35 4.23 0.00 1.69 5.15 -0.79 -5.03 115.26 120.16 3i1p n ASN 71 Ca 0.10 -3.41 0.00 0.00 -0.60 0.00 0.00 54.58 50.67 3i1p n ASN 71 Cb 0.41 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 3i1p n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i1p n GLY 72 N -0.66 2.02 3.83 8.20 0.00 -1.18 -4.96 105.19 112.44 3i1p n GLY 72 Ca 0.36 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 3i1p n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i1p s ILE 73 N 0.00 4.94 0.87 -0.61 1.10 -1.16 -4.84 121.20 121.50 3i1p s ILE 73 Ca 0.00 -0.42 -0.12 0.00 -0.51 0.00 0.00 60.65 59.60 3i1p s ILE 73 Cb 0.00 -3.31 0.12 0.00 0.15 0.00 0.00 42.46 39.41 3i1p s ILE 73 CO 0.00 0.27 1.15 -0.94 -2.11 0.00 0.00 174.94 173.32 3i1p s SER 74 N -2.01 3.90 0.11 4.50 1.04 -1.26 -3.00 113.70 116.97 3i1p s SER 74 Ca 0.27 0.89 -0.27 0.00 0.48 0.00 0.00 55.95 57.32 3i1p s SER 74 Cb -0.12 -1.43 -0.09 0.00 0.10 0.00 0.00 66.02 64.47 3i1p s SER 74 CO 0.18 -2.30 1.64 0.22 0.98 0.00 0.00 173.24 173.97 3i1p h TYR 75 N -1.33 -0.66 -0.39 5.02 3.20 -1.87 0.10 116.97 121.05 3i1p h TYR 75 Ca -0.49 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.43 3i1p h TYR 75 Cb 1.33 0.27 -0.05 0.00 1.54 0.00 0.00 36.73 39.83 3i1p h TYR 75 CO 0.30 -0.35 -0.23 0.45 -1.64 0.00 0.00 178.16 176.69 3i1p n SER 76 N -5.37 -0.42 -0.04 -2.11 2.88 -1.26 0.19 113.62 107.49 3i1p n SER 76 Ca -0.07 1.20 0.07 0.00 -1.33 0.00 0.00 58.87 58.74 3i1p n SER 76 Cb 0.28 -0.34 0.39 0.00 -0.75 0.00 0.00 64.21 63.79 3i1p n SER 76 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i1p n LYS 77 N -3.87 1.05 -0.00 -1.46 5.02 -1.13 -3.94 118.16 113.83 3i1p n LYS 77 Ca 0.01 -0.08 -0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3i1p n LYS 77 Cb 0.10 -1.22 -0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3i1p n LYS 77 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3i1p h PHE 78 N 0.15 0.00 -0.70 2.13 -0.00 0.24 -3.28 116.94 115.48 3i1p h PHE 78 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.97 58.13 3i1p h PHE 78 Cb 0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 35.94 3i1p h PHE 78 CO 0.01 0.00 0.48 0.97 -0.00 0.00 0.00 178.31 179.77 3i1p h ILE 79 N -0.01 0.76 0.02 1.41 -0.00 -1.64 -0.17 117.51 117.87 3i1p h ILE 79 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 64.86 64.77 3i1p h ILE 79 Cb 0.00 0.47 -0.00 0.00 -0.00 0.00 0.00 36.82 37.28 3i1p h ILE 79 CO 0.00 0.05 -0.05 -1.13 -0.00 0.00 0.00 178.15 177.01 3i1p h ASN 80 N 0.27 -0.16 0.00 2.19 -0.00 -1.75 0.56 115.58 116.68 3i1p h ASN 80 Ca 0.34 0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.66 3i1p h ASN 80 Cb 0.97 0.06 0.00 0.00 -0.00 0.00 0.00 38.32 39.34 3i1p h ASN 80 CO -0.08 -0.06 0.18 1.23 -0.00 0.00 0.00 177.43 178.70 3i1p h GLY 81 N -0.08 0.00 0.30 1.57 0.00 -1.36 0.85 103.07 104.34 3i1p h GLY 81 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3i1p h GLY 81 CO -0.02 0.00 -0.08 1.41 0.00 0.00 0.00 176.54 177.84 3i1p h LEU 82 N 0.00 -0.20 -0.08 3.11 3.38 -0.21 -2.21 115.31 119.11 3i1p h LEU 82 Ca 0.00 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3i1p h LEU 82 Cb 0.36 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3i1p h LEU 82 CO 0.00 0.36 0.03 0.50 0.09 0.00 0.00 178.44 179.42 3i1p h LYS 83 N -0.94 0.11 0.00 1.13 3.64 0.18 -1.22 116.57 119.47 3i1p h LYS 83 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3i1p h LYS 83 Cb 0.47 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3i1p h LYS 83 CO 0.04 0.25 0.12 0.87 -2.27 0.00 0.00 179.45 178.45 3i1p h LYS 84 N -0.04 0.00 -1.74 1.90 1.79 0.50 -0.67 116.57 118.30 3i1p h LYS 84 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3i1p h LYS 84 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3i1p h LYS 84 CO -0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 3i1p n ALA 85 N -1.98 3.36 -2.00 3.86 0.00 -0.46 -4.85 120.51 118.43 3i1p n ALA 85 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3i1p n ALA 85 Cb 0.18 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3i1p n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i1p n SER 86 N 1.27 -8.70 0.00 0.00 2.88 -0.26 -4.74 113.62 104.07 3i1p n SER 86 Ca 0.00 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 3i1p n SER 86 Cb 0.45 -4.96 0.00 0.00 -0.75 0.00 0.00 64.21 58.95 3i1p n SER 86 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3i1p n VAL 87 N 1.31 0.00 -2.37 2.46 0.31 -1.22 -4.89 118.33 113.94 3i1p n VAL 87 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3i1p n VAL 87 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 3i1p n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i1p n GLU 88 N 14.00 -4.15 0.00 5.55 0.00 -1.26 -4.30 120.64 130.47 3i1p n GLU 88 Ca 0.00 3.04 0.00 0.00 0.00 0.00 0.00 57.16 60.20 3i1p n GLU 88 Cb 0.00 -3.97 0.00 0.00 0.00 0.00 0.00 31.44 27.47 3i1p n GLU 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3i1p n ILE 89 N 1.89 0.00 -0.55 6.31 2.08 -1.26 -4.33 119.36 123.50 3i1p n ILE 89 Ca -0.07 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.24 3i1p n ILE 89 Cb 0.11 -0.47 0.00 0.00 -0.75 0.00 0.00 39.64 38.53 3i1p n ILE 89 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3i1p n ASP 90 N -2.43 -3.07 -1.48 4.38 10.43 -1.26 -4.53 116.55 118.60 3i1p n ASP 90 Ca 0.00 0.00 0.07 0.00 2.57 0.00 0.00 54.79 57.43 3i1p n ASP 90 Cb 0.47 -2.18 -0.04 0.00 1.84 0.00 0.00 41.12 41.21 3i1p n ASP 90 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3i1p n ARG 91 N 0.39 -3.49 0.16 -1.24 1.74 -1.26 -3.66 116.66 109.31 3i1p n ARG 91 Ca 0.00 2.77 0.04 0.00 -0.77 0.00 0.00 57.85 59.89 3i1p n ARG 91 Cb 0.26 -3.70 0.12 0.00 -1.02 0.00 0.00 32.46 28.12 3i1p n ARG 91 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3i1p h LYS 92 N -0.52 0.00 -0.14 5.56 1.57 -1.99 -3.24 116.57 117.82 3i1p h LYS 92 Ca -0.08 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 3i1p h LYS 92 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 3i1p h LYS 92 CO 0.03 0.43 -0.26 0.97 -0.57 0.00 0.00 179.45 180.05 3i1p h ILE 93 N 0.00 1.37 0.00 1.86 2.10 -1.94 -2.97 117.51 117.93 3i1p h ILE 93 Ca -0.00 -1.51 0.00 0.00 1.08 0.00 0.00 64.86 64.42 3i1p h ILE 93 Cb 1.23 2.01 0.00 0.00 -1.09 0.00 0.00 36.82 38.97 3i1p h ILE 93 CO 0.06 0.45 0.00 0.18 -1.08 0.00 0.00 178.15 177.75 3i1p n LEU 94 N -4.44 1.88 -0.61 2.19 4.77 -1.22 0.48 117.00 120.05 3i1p n LEU 94 Ca -0.07 -0.94 0.05 0.00 -0.03 0.00 0.00 56.01 55.03 3i1p n LEU 94 Cb 0.45 -0.44 0.19 0.00 -2.33 0.00 0.00 43.42 41.29 3i1p n LEU 94 CO 0.41 0.34 0.56 0.00 -1.33 0.00 0.00 177.39 177.38 3i1p n ALA 95 N 0.35 3.26 1.25 -1.18 0.00 -1.12 -4.37 120.51 118.71 3i1p n ALA 95 Ca 0.00 -2.90 0.14 0.00 0.00 0.00 0.00 53.44 50.68 3i1p n ALA 95 Cb 0.34 -0.50 0.59 0.00 0.00 0.00 0.00 19.45 19.88 3i1p n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i1p n ASP 96 N -1.13 0.27 0.00 0.00 5.68 0.18 -2.80 116.55 118.75 3i1p n ASP 96 Ca 0.22 -0.19 0.09 0.00 -0.50 0.00 0.00 54.79 54.41 3i1p n ASP 96 Cb 0.78 -0.17 0.55 0.00 -1.14 0.00 0.00 41.12 41.14 3i1p n ASP 96 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3i1p n ILE 97 N -1.23 0.02 0.18 2.12 -5.35 -1.26 -0.58 119.36 113.26 3i1p n ILE 97 Ca 0.11 0.01 0.05 0.00 -0.27 0.00 0.00 62.75 62.65 3i1p n ILE 97 Cb 0.29 -0.71 0.27 0.00 -1.74 0.00 0.00 39.64 37.75 3i1p n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1p h ALA 98 N 3.15 0.91 0.17 -1.28 0.00 -1.77 -3.02 119.26 117.42 3i1p h ALA 98 Ca 0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 54.91 54.30 3i1p h ALA 98 Cb 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.76 3i1p h ALA 98 CO 0.00 0.49 -1.15 0.28 0.00 0.00 0.00 179.25 178.86 3i1p h VAL 99 N 0.00 1.34 0.00 0.00 2.07 -1.09 -3.41 116.25 115.16 3i1p h VAL 99 Ca -0.00 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.95 3i1p h VAL 99 Cb 1.01 3.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.84 3i1p h VAL 99 CO 0.05 0.75 0.00 0.49 0.02 0.00 0.00 177.57 178.88 3i1p n PHE 100 N -3.95 0.00 -2.53 1.57 3.01 -1.21 -4.72 117.46 109.63 3i1p n PHE 100 Ca -0.17 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.88 3i1p n PHE 100 Cb 0.93 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.38 3i1p n PHE 100 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3i1p s ASP 101 N -1.00 6.49 0.35 4.37 3.68 -1.14 -4.79 116.67 124.63 3i1p s ASP 101 Ca 0.00 -1.66 0.05 0.00 2.13 0.00 0.00 52.55 53.07 3i1p s ASP 101 Cb 0.00 -2.57 0.66 0.00 -1.45 0.00 0.00 42.92 39.56 3i1p s ASP 101 CO 0.00 -1.52 1.91 0.11 0.13 0.00 0.00 175.17 175.80 3i1p h LYS 102 N 9.33 0.51 -0.43 4.34 1.57 -1.80 -2.72 116.57 127.36 3i1p h LYS 102 Ca 0.26 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3i1p h LYS 102 Cb 0.97 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3i1p h LYS 102 CO 1.42 0.51 0.16 0.28 -0.57 0.00 0.00 179.45 181.25 3i1p h VAL 103 N 0.49 1.20 0.24 0.50 2.07 -1.89 0.08 116.25 118.94 3i1p h VAL 103 Ca 0.11 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3i1p h VAL 103 Cb 0.27 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3i1p h VAL 103 CO 0.00 0.23 -0.40 0.00 0.02 0.00 0.00 177.57 177.42 3i1p h ALA 104 N 1.01 -0.79 -0.30 1.67 0.00 -1.82 -1.51 119.26 117.52 3i1p h ALA 104 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i1p h ALA 104 Cb 0.21 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3i1p h ALA 104 CO -0.01 -1.00 0.20 0.35 0.00 0.00 0.00 179.25 178.80 3i1p h PHE 105 N -0.72 0.38 -0.03 0.00 3.04 -1.35 0.15 116.94 118.40 3i1p h PHE 105 Ca -0.00 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.88 3i1p h PHE 105 Cb 0.69 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.06 3i1p h PHE 105 CO -0.30 0.24 -0.34 1.15 -2.02 0.00 0.00 178.31 177.04 3i1p h THR 106 N 0.41 1.26 0.00 4.41 2.02 -0.41 -0.35 112.91 120.24 3i1p h THR 106 Ca 0.11 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 66.07 3i1p h THR 106 Cb -0.04 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3i1p h THR 106 CO -0.02 0.35 -0.56 0.00 0.37 0.00 0.00 175.52 175.66 3i1p h ALA 107 N 1.60 0.64 -0.00 6.16 0.00 -0.16 -2.98 119.26 124.52 3i1p h ALA 107 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i1p h ALA 107 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3i1p h ALA 107 CO 0.05 0.00 -0.13 -0.11 0.00 0.00 0.00 179.25 179.05 3i1p n LEU 108 N -2.22 0.15 -0.02 0.00 0.00 0.37 -2.11 117.00 113.17 3i1p n LEU 108 Ca 0.03 0.34 -0.11 0.00 0.00 0.00 0.00 56.01 56.27 3i1p n LEU 108 Cb 0.45 -0.41 -0.14 0.00 0.00 0.00 0.00 43.42 43.32 3i1p n LEU 108 CO 0.36 0.04 -0.57 0.52 0.00 0.00 0.00 177.39 177.73 3i1p n VAL 109 N -1.46 1.65 -0.14 1.96 0.31 -0.25 -3.62 118.33 116.77 3i1p n VAL 109 Ca 0.07 -0.77 -0.07 0.00 -0.01 0.00 0.00 64.34 63.56 3i1p n VAL 109 Cb 0.33 -1.17 0.02 0.00 -0.91 0.00 0.00 33.84 32.11 3i1p n VAL 109 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3i1p h GLU 110 N 0.01 0.54 0.00 5.55 4.57 -1.33 0.66 114.58 124.58 3i1p h GLU 110 Ca -0.31 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 57.81 3i1p h GLU 110 Cb 2.02 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 30.48 3i1p h GLU 110 CO 0.08 0.36 -0.13 -0.22 -1.18 0.00 0.00 179.01 177.92 3i1p h LYS 111 N 0.56 0.00 0.10 1.92 1.63 -1.58 -2.81 116.57 116.39 3i1p h LYS 111 Ca 0.17 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 3i1p h LYS 111 Cb -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 3i1p h LYS 111 CO -0.07 0.13 -0.05 0.00 -3.45 0.00 0.00 179.45 176.01 3i1p h ALA 112 N 1.87 -0.14 0.00 5.00 0.00 -1.34 -3.24 119.26 121.41 3i1p h ALA 112 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i1p h ALA 112 Cb 0.37 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3i1p h ALA 112 CO 0.02 -0.14 0.07 1.63 0.00 0.00 0.00 179.25 180.82 3i1p n LYS 113 N -4.86 0.00 0.22 0.00 5.02 0.12 -2.39 118.16 116.27 3i1p n LYS 113 Ca -0.03 0.34 -0.13 0.00 -2.02 0.00 0.00 58.31 56.46 3i1p n LYS 113 Cb 0.11 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.48 3i1p n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1p h ALA 114 N 1.68 -0.58 0.11 7.82 0.00 -1.52 -3.06 119.26 123.71 3i1p h ALA 114 Ca 0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 3i1p h ALA 114 Cb 0.13 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3i1p h ALA 114 CO 0.00 -0.66 -1.19 0.00 0.00 0.00 0.00 179.25 177.40 3i1p h ALA 115 N -0.56 0.11 -0.94 0.00 0.00 -1.63 -3.27 119.26 112.96 3i1p h ALA 115 Ca -0.06 -0.81 0.25 0.00 0.00 0.00 0.00 54.91 54.29 3i1p h ALA 115 Cb 0.57 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.27 3i1p h ALA 115 CO 0.10 0.84 0.46 1.25 0.00 0.00 0.00 179.25 181.89 3i1p h LEU 116 N 0.17 0.42 -0.95 0.00 5.85 -1.60 -3.50 115.31 115.69 3i1p h LEU 116 Ca -0.15 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3i1p h LEU 116 Cb 1.88 0.12 0.00 0.00 0.37 0.00 0.00 40.66 43.03 3i1p h LEU 116 CO 0.21 -0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.29