#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k5b s LEU 4 N 0.00 3.54 0.00 -5.58 1.43 -1.26 -2.89 118.68 113.92 3k5b s LEU 4 Ca 0.00 2.21 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 3k5b s LEU 4 Cb 0.00 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.64 3k5b s LEU 4 CO 0.00 -1.63 0.00 1.21 0.23 0.00 0.00 176.35 176.16 3k5b n GLU 5 N -1.97 0.00 0.30 1.70 2.13 -1.26 -4.61 120.64 116.93 3k5b n GLU 5 Ca 0.12 0.00 0.17 0.00 0.66 0.00 0.00 57.16 58.11 3k5b n GLU 5 Cb 0.51 0.00 0.97 0.00 0.27 0.00 0.00 31.44 33.19 3k5b n GLU 5 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3k5b h ALA 6 N 0.00 1.30 0.42 4.31 0.00 -1.97 0.36 119.26 123.69 3k5b h ALA 6 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3k5b h ALA 6 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3k5b h ALA 6 CO 0.00 0.03 -0.20 0.82 0.00 0.00 0.00 179.25 179.90 3k5b h ILE 7 N 0.00 0.56 -0.72 0.00 1.08 -1.78 -1.28 117.51 115.36 3k5b h ILE 7 Ca -0.00 -0.34 0.13 0.00 -0.39 0.00 0.00 64.86 64.26 3k5b h ILE 7 Cb 0.08 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 34.50 3k5b h ILE 7 CO 0.00 0.06 0.48 0.25 -0.69 0.00 0.00 178.15 178.26 3k5b h LEU 8 N -0.77 0.41 0.00 1.44 5.85 -1.18 0.34 115.31 121.40 3k5b h LEU 8 Ca -0.06 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3k5b h LEU 8 Cb 0.53 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3k5b h LEU 8 CO 0.09 0.22 -0.36 0.28 -0.34 0.00 0.00 178.44 178.34 3k5b h SER 9 N 0.45 0.00 0.59 1.25 0.02 -0.46 -2.71 113.55 112.68 3k5b h SER 9 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3k5b h SER 9 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3k5b h SER 9 CO -0.11 0.27 -0.19 0.00 -1.14 0.00 0.00 176.83 175.66 3k5b n GLN 10 N -3.13 0.29 -0.01 3.45 3.00 0.05 -3.35 117.38 117.67 3k5b n GLN 10 Ca 0.02 -0.10 -0.14 0.00 -0.01 0.00 0.00 57.00 56.77 3k5b n GLN 10 Cb 0.65 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 29.25 3k5b n GLN 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3k5b n GLU 11 N -1.26 0.69 0.15 -1.09 -0.58 0.97 -4.46 120.64 115.05 3k5b n GLU 11 Ca 0.10 0.28 -0.09 0.00 -0.42 0.00 0.00 57.16 57.02 3k5b n GLU 11 Cb 0.31 -1.75 -0.05 0.00 -0.57 0.00 0.00 31.44 29.38 3k5b n GLU 11 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 3k5b h VAL 12 N 0.03 0.23 -0.10 2.62 -1.51 -1.59 -3.18 116.25 112.74 3k5b h VAL 12 Ca -0.35 -0.72 -0.41 0.00 -1.23 0.00 0.00 66.70 63.99 3k5b h VAL 12 Cb 2.03 0.38 0.06 0.00 -2.13 0.00 0.00 31.29 31.62 3k5b h VAL 12 CO 0.08 0.06 1.16 1.21 -1.23 0.00 0.00 177.57 178.85 3k5b n GLU 13 N -5.09 0.61 0.00 5.19 4.07 -1.21 -0.08 120.64 124.13 3k5b n GLU 13 Ca -0.07 -1.61 0.00 0.00 -0.06 0.00 0.00 57.16 55.41 3k5b n GLU 13 Cb 0.23 -3.18 0.00 0.00 -0.06 0.00 0.00 31.44 28.43 3k5b n GLU 13 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3k5b n ALA 14 N 12.49 0.00 -0.10 4.31 0.00 -1.26 -4.86 120.51 131.10 3k5b n ALA 14 Ca 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.76 3k5b n ALA 14 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 3k5b n ALA 14 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3k5b h GLU 15 N 0.00 0.79 -0.05 0.00 4.57 -0.47 -2.14 114.58 117.28 3k5b h GLU 15 Ca 0.00 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3k5b h GLU 15 Cb 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3k5b h GLU 15 CO 0.00 1.05 0.00 0.44 -1.18 0.00 0.00 179.01 179.32 3k5b n ILE 16 N -4.19 0.00 -0.06 2.32 -5.35 -0.36 -0.72 119.36 110.99 3k5b n ILE 16 Ca -0.03 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.38 3k5b n ILE 16 Cb 0.50 -0.07 -0.09 0.00 -1.74 0.00 0.00 39.64 38.24 3k5b n ILE 16 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3k5b n GLN 17 N -0.47 1.71 -0.14 6.28 3.00 -1.20 -4.22 117.38 122.34 3k5b n GLN 17 Ca 0.00 0.01 -0.04 0.00 -0.01 0.00 0.00 57.00 56.96 3k5b n GLN 17 Cb 0.01 -1.31 0.04 0.00 0.00 0.00 0.00 30.24 28.98 3k5b n GLN 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k5b h ALA 18 N 0.49 0.51 -0.05 -1.58 0.00 -0.43 0.95 119.26 119.14 3k5b h ALA 18 Ca -0.33 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3k5b h ALA 18 Cb 1.71 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 3k5b h ALA 18 CO 0.00 -0.26 0.02 -0.07 0.00 0.00 0.00 179.25 178.95 3k5b h LEU 19 N 0.29 0.07 -1.09 0.00 3.38 -1.19 -0.00 115.31 116.77 3k5b h LEU 19 Ca 0.21 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3k5b h LEU 19 Cb 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3k5b h LEU 19 CO -0.23 0.17 0.00 -0.07 0.09 0.00 0.00 178.44 178.40 3k5b h LEU 20 N -0.04 0.00 0.16 1.67 3.38 -1.62 0.36 115.31 119.21 3k5b h LEU 20 Ca 0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.67 3k5b h LEU 20 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 3k5b h LEU 20 CO -0.00 0.00 -1.54 1.56 0.09 0.00 0.00 178.44 178.55 3k5b h GLN 21 N 0.00 0.34 -0.18 1.13 4.20 0.11 -3.17 115.11 117.54 3k5b h GLN 21 Ca 0.00 -0.58 -0.14 0.00 0.06 0.00 0.00 58.65 57.99 3k5b h GLN 21 Cb 0.41 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 3k5b h GLN 21 CO 0.00 1.23 -0.46 1.49 -0.67 0.00 0.00 178.83 180.42 3k5b h GLU 22 N 0.09 0.47 -0.01 1.46 4.81 -0.25 -2.48 114.58 118.67 3k5b h GLU 22 Ca -0.26 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3k5b h GLU 22 Cb 2.06 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.45 3k5b h GLU 22 CO 0.19 0.84 -0.13 0.00 -0.73 0.00 0.00 179.01 179.18 3k5b n ALA 23 N -2.50 2.82 -0.02 2.92 0.00 0.12 -2.93 120.51 120.93 3k5b n ALA 23 Ca -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 53.44 53.11 3k5b n ALA 23 Cb 0.54 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.75 3k5b n ALA 23 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3k5b n GLU 24 N -0.75 2.51 -0.02 0.00 4.07 -1.20 -3.94 120.64 121.31 3k5b n GLU 24 Ca 0.15 -1.47 0.08 0.00 -0.06 0.00 0.00 57.16 55.86 3k5b n GLU 24 Cb 0.30 -1.05 0.08 0.00 -0.06 0.00 0.00 31.44 30.71 3k5b n GLU 24 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3k5b n ALA 25 N -0.27 2.46 -0.11 4.31 0.00 -0.94 -4.16 120.51 121.80 3k5b n ALA 25 Ca 0.02 -0.68 -0.14 0.00 0.00 0.00 0.00 53.44 52.64 3k5b n ALA 25 Cb 0.25 -0.56 -0.11 0.00 0.00 0.00 0.00 19.45 19.03 3k5b n ALA 25 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3k5b n LYS 26 N 0.93 0.70 0.20 0.00 4.01 -1.15 -4.01 118.16 118.84 3k5b n LYS 26 Ca 0.10 0.10 0.12 0.00 -0.51 0.00 0.00 58.31 58.12 3k5b n LYS 26 Cb 0.42 -1.45 0.66 0.00 -0.51 0.00 0.00 35.03 34.15 3k5b n LYS 26 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3k5b h ALA 27 N 0.21 1.05 0.05 7.82 0.00 -1.75 0.48 119.26 127.12 3k5b h ALA 27 Ca -0.50 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 3k5b h ALA 27 Cb 1.85 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 3k5b h ALA 27 CO -0.05 -0.05 -1.24 1.05 0.00 0.00 0.00 179.25 178.95 3k5b h GLU 28 N 0.00 0.11 -0.97 0.00 4.11 -1.78 -3.30 114.58 112.74 3k5b h GLU 28 Ca 0.00 -0.18 0.14 0.00 0.07 0.00 0.00 59.36 59.39 3k5b h GLU 28 Cb 0.14 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.38 3k5b h GLU 28 CO 0.00 1.09 0.61 0.00 0.07 0.00 0.00 179.01 180.78 3k5b h ALA 29 N -0.23 1.66 -0.50 1.06 0.00 -0.61 1.10 119.26 121.74 3k5b h ALA 29 Ca -0.30 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3k5b h ALA 29 Cb 1.49 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3k5b h ALA 29 CO -0.07 0.06 0.18 0.28 0.00 0.00 0.00 179.25 179.71 3k5b h VAL 30 N 0.85 1.22 -0.01 0.00 2.07 -0.45 -1.93 116.25 118.00 3k5b h VAL 30 Ca 0.50 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 3k5b h VAL 30 Cb 0.66 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3k5b h VAL 30 CO -0.27 0.26 -0.45 0.50 0.02 0.00 0.00 177.57 177.63 3k5b h LYS 31 N 0.66 0.02 0.37 1.57 3.64 0.07 -1.30 116.57 121.60 3k5b h LYS 31 Ca 0.16 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3k5b h LYS 31 Cb 0.23 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3k5b h LYS 31 CO -0.01 0.46 -0.18 0.00 -2.27 0.00 0.00 179.45 177.46 3k5b h ARG 32 N 0.02 -0.47 0.00 1.90 2.47 0.10 -1.99 114.38 116.41 3k5b h ARG 32 Ca -0.00 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 3k5b h ARG 32 Cb 0.80 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 29.22 3k5b h ARG 32 CO 0.06 -0.19 -0.08 1.49 0.56 0.00 0.00 179.97 181.81 3k5b h GLU 33 N -1.01 0.00 -0.03 0.04 4.22 -1.41 0.52 114.58 116.91 3k5b h GLU 33 Ca -0.05 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.19 3k5b h GLU 33 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3k5b h GLU 33 CO 0.08 0.08 -0.84 0.00 -2.18 0.00 0.00 179.01 176.16 3k5b h ALA 34 N 1.92 0.50 0.11 2.92 0.00 -1.28 -1.36 119.26 122.07 3k5b h ALA 34 Ca -0.00 -0.67 -0.24 0.00 0.00 0.00 0.00 54.91 54.00 3k5b h ALA 34 Cb 0.20 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.96 3k5b h ALA 34 CO 0.01 0.81 -1.00 0.93 0.00 0.00 0.00 179.25 180.01 3k5b h GLU 35 N 0.22 0.48 0.00 0.00 5.08 -0.48 -2.20 114.58 117.68 3k5b h GLU 35 Ca -0.05 -0.67 0.00 0.00 -1.00 0.00 0.00 59.36 57.64 3k5b h GLU 35 Cb 1.44 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.92 3k5b h GLU 35 CO 0.14 1.29 0.00 0.39 -1.00 0.00 0.00 179.01 179.83 3k5b n GLU 36 N -3.98 0.18 -0.03 2.33 4.71 0.17 -2.11 120.64 121.91 3k5b n GLU 36 Ca -0.13 0.47 -0.01 0.00 -0.01 0.00 0.00 57.16 57.49 3k5b n GLU 36 Cb 0.88 -1.89 -0.00 0.00 -1.01 0.00 0.00 31.44 29.42 3k5b n GLU 36 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 3k5b h LYS 37 N 0.00 -0.04 -0.85 3.49 1.57 -1.19 -3.33 116.57 116.22 3k5b h LYS 37 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 3k5b h LYS 37 Cb 0.27 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.50 3k5b h LYS 37 CO 0.00 -0.03 0.45 0.00 -0.57 0.00 0.00 179.45 179.30 3k5b h ALA 38 N -1.13 1.27 0.02 3.86 0.00 -1.24 0.54 119.26 122.58 3k5b h ALA 38 Ca -0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3k5b h ALA 38 Cb 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3k5b h ALA 38 CO 0.01 -0.06 -0.42 -0.22 0.00 0.00 0.00 179.25 178.55 3k5b h LYS 39 N 0.65 -0.57 0.00 0.00 3.64 -1.64 -0.71 116.57 117.94 3k5b h LYS 39 Ca 0.46 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.83 3k5b h LYS 39 Cb 0.62 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3k5b h LYS 39 CO -0.35 -0.38 -0.20 0.00 -2.27 0.00 0.00 179.45 176.25 3k5b h ALA 40 N -0.08 1.16 0.00 5.00 0.00 -1.11 0.37 119.26 124.61 3k5b h ALA 40 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3k5b h ALA 40 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3k5b h ALA 40 CO -0.30 0.25 0.00 -0.11 0.00 0.00 0.00 179.25 179.08 3k5b n LEU 41 N -3.56 0.13 -0.00 0.00 -0.00 0.17 -3.16 117.00 110.58 3k5b n LEU 41 Ca -0.01 0.51 0.02 0.00 -0.00 0.00 0.00 56.01 56.53 3k5b n LEU 41 Cb 0.34 -0.47 -0.03 0.00 -0.00 0.00 0.00 43.42 43.26 3k5b n LEU 41 CO 0.32 -0.05 -0.27 -0.11 -0.00 0.00 0.00 177.39 177.28 3k5b n LEU 42 N -1.62 0.10 0.01 -1.96 0.00 -0.32 -4.32 117.00 108.89 3k5b n LEU 42 Ca 0.07 -0.26 -0.19 0.00 0.00 0.00 0.00 56.01 55.63 3k5b n LEU 42 Cb 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.67 3k5b n LEU 42 CO 0.27 0.03 0.18 1.56 0.00 0.00 0.00 177.39 179.42 3k5b h GLN 43 N 0.00 0.66 -0.44 1.96 1.08 -0.33 -1.36 115.11 116.69 3k5b h GLN 43 Ca 0.00 -0.65 -0.11 0.00 -1.45 0.00 0.00 58.65 56.44 3k5b h GLN 43 Cb 0.15 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 3k5b h GLN 43 CO 0.00 1.25 -0.18 0.00 -0.95 0.00 0.00 178.83 178.95 3k5b h ALA 44 N 0.43 0.87 -0.32 3.87 0.00 -1.80 -2.80 119.26 119.51 3k5b h ALA 44 Ca -0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3k5b h ALA 44 Cb 1.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3k5b h ALA 44 CO 0.17 0.64 0.10 -0.09 0.00 0.00 0.00 179.25 180.07 3k5b h ARG 45 N 0.74 0.50 -0.42 0.00 9.65 -1.74 -0.82 114.38 122.28 3k5b h ARG 45 Ca 0.11 -0.11 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 3k5b h ARG 45 Cb 0.70 -0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 29.11 3k5b h ARG 45 CO 0.05 0.54 -0.21 0.93 2.80 0.00 0.00 179.97 184.08 3k5b h GLU 46 N 0.36 -0.12 -0.98 0.20 5.08 -1.23 -2.25 114.58 115.65 3k5b h GLU 46 Ca 0.10 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3k5b h GLU 46 Cb 0.25 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 3k5b h GLU 46 CO -0.00 -0.08 0.62 0.00 -1.00 0.00 0.00 179.01 178.55 3k5b h ARG 47 N -0.13 1.30 -0.60 2.33 3.08 -1.21 -2.82 114.38 116.33 3k5b h ARG 47 Ca 0.20 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.17 3k5b h ARG 47 Cb 0.44 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3k5b h ARG 47 CO -0.50 0.88 0.39 0.00 -1.07 0.00 0.00 179.97 179.67 3k5b h ALA 48 N 1.34 0.77 -0.76 0.04 0.00 -0.57 -2.64 119.26 117.44 3k5b h ALA 48 Ca 0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3k5b h ALA 48 Cb -0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 3k5b h ALA 48 CO -0.07 0.17 0.42 -0.07 0.00 0.00 0.00 179.25 179.69 3k5b h LEU 49 N 0.79 0.95 0.47 0.00 3.38 -1.21 -0.85 115.31 118.84 3k5b h LEU 49 Ca 0.23 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3k5b h LEU 49 Cb -0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3k5b h LEU 49 CO -0.07 0.76 -0.50 -0.33 0.09 0.00 0.00 178.44 178.39 3k5b h GLU 50 N 1.07 -0.95 -0.43 1.13 4.39 -1.41 -0.57 114.58 117.80 3k5b h GLU 50 Ca 0.27 0.06 0.08 0.00 0.34 0.00 0.00 59.36 60.12 3k5b h GLU 50 Cb 0.03 0.22 -0.09 0.00 -0.10 0.00 0.00 28.75 28.80 3k5b h GLU 50 CO -0.04 -0.63 -0.33 0.00 -1.16 0.00 0.00 179.01 176.84 3k5b h ALA 51 N -0.82 -0.17 0.00 3.43 0.00 -1.26 2.32 119.26 122.75 3k5b h ALA 51 Ca -0.06 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3k5b h ALA 51 Cb 0.86 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3k5b h ALA 51 CO -0.08 -0.73 0.00 0.00 0.00 0.00 0.00 179.25 178.44 3k5b n GLN 52 N -5.42 0.01 -0.06 0.00 -0.00 -0.35 -1.11 117.38 110.44 3k5b n GLN 52 Ca 0.01 0.41 -0.09 0.00 -0.00 0.00 0.00 57.00 57.34 3k5b n GLN 52 Cb 0.34 -1.53 -0.06 0.00 -0.00 0.00 0.00 30.24 28.99 3k5b n GLN 52 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 3k5b n TYR 53 N -1.55 0.00 -0.09 2.61 9.36 0.45 -3.69 117.16 124.25 3k5b n TYR 53 Ca 0.01 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.31 3k5b n TYR 53 Cb 0.07 -0.49 0.42 0.00 -0.63 0.00 0.00 39.34 38.71 3k5b n TYR 53 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3k5b h ARG 54 N 0.00 0.56 0.00 2.98 2.47 0.40 -1.48 114.38 119.31 3k5b h ARG 54 Ca -0.28 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.27 3k5b h ARG 54 Cb 1.45 -0.13 0.01 0.00 -1.65 0.00 0.00 29.97 29.66 3k5b h ARG 54 CO -0.04 0.37 -0.53 0.00 0.56 0.00 0.00 179.97 180.33 3k5b h ALA 55 N 1.68 0.06 -0.63 0.04 0.00 -1.31 -3.15 119.26 115.95 3k5b h ALA 55 Ca 0.25 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 3k5b h ALA 55 Cb 0.24 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3k5b h ALA 55 CO -0.07 0.30 0.14 0.00 0.00 0.00 0.00 179.25 179.62 3k5b h ALA 56 N 0.30 1.07 0.03 0.00 0.00 -1.56 -1.51 119.26 117.59 3k5b h ALA 56 Ca -0.07 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.38 3k5b h ALA 56 Cb 1.25 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3k5b h ALA 56 CO 0.10 0.61 -0.98 -0.07 0.00 0.00 0.00 179.25 178.92 3k5b h LEU 57 N 0.94 0.40 -0.02 0.00 3.38 -1.43 -2.30 115.31 116.28 3k5b h LEU 57 Ca 0.20 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3k5b h LEU 57 Cb 0.35 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3k5b h LEU 57 CO 0.00 1.17 0.01 0.03 0.09 0.00 0.00 178.44 179.74 3k5b h ARG 58 N 0.15 0.03 -0.63 1.13 3.08 -1.48 0.34 114.38 117.00 3k5b h ARG 58 Ca -0.08 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.10 3k5b h ARG 58 Cb 1.64 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.58 3k5b h ARG 58 CO 0.16 0.16 0.02 -0.09 -1.07 0.00 0.00 179.97 179.15 3k5b h ARG 59 N -0.10 0.13 0.00 0.04 9.65 -1.32 -0.78 114.38 122.00 3k5b h ARG 59 Ca 0.01 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3k5b h ARG 59 Cb 0.14 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3k5b h ARG 59 CO -0.00 0.09 0.00 0.00 2.80 0.00 0.00 179.97 182.85 3k5b h ALA 60 N 1.57 1.00 0.19 2.80 0.00 -1.04 -0.29 119.26 123.48 3k5b h ALA 60 Ca 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3k5b h ALA 60 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3k5b h ALA 60 CO -0.53 0.00 -0.09 0.93 0.00 0.00 0.00 179.25 179.56 3k5b h GLU 61 N 0.00 -0.24 -0.27 0.00 5.08 0.46 -2.90 114.58 116.71 3k5b h GLU 61 Ca 0.00 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3k5b h GLU 61 Cb 0.53 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 3k5b h GLU 61 CO 0.00 0.16 -0.03 0.77 -1.00 0.00 0.00 179.01 178.90 3k5b h SER 62 N -0.89 -0.18 -0.19 1.42 0.02 -1.11 0.55 113.55 113.17 3k5b h SER 62 Ca -0.03 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3k5b h SER 62 Cb 0.51 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.12 3k5b h SER 62 CO 0.04 -0.06 -0.24 0.00 -1.14 0.00 0.00 176.83 175.44 3k5b h ALA 63 N 1.25 -0.17 -0.03 3.77 0.00 -1.18 0.85 119.26 123.76 3k5b h ALA 63 Ca 0.13 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3k5b h ALA 63 Cb 0.19 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3k5b h ALA 63 CO -0.25 -0.68 -0.14 0.78 0.00 0.00 0.00 179.25 178.97 3k5b h GLY 64 N -0.27 0.05 1.01 0.00 0.00 -1.23 0.31 103.07 102.93 3k5b h GLY 64 Ca 0.12 -0.03 -0.12 0.00 0.00 0.00 0.00 47.33 47.30 3k5b h GLY 64 CO -0.35 0.02 -0.28 -2.09 0.00 0.00 0.00 176.54 173.84 3k5b h GLU 65 N 0.04 0.76 -0.68 4.80 4.57 0.26 -2.50 114.58 121.83 3k5b h GLU 65 Ca 0.01 -0.39 -0.04 0.00 -1.18 0.00 0.00 59.36 57.76 3k5b h GLU 65 Cb 0.27 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 3k5b h GLU 65 CO 0.02 1.01 0.28 1.25 -1.18 0.00 0.00 179.01 180.39 3k5b h LEU 66 N 0.53 0.94 -2.27 1.64 7.12 0.10 -2.35 115.31 121.02 3k5b h LEU 66 Ca 0.06 -0.17 0.00 0.00 0.13 0.00 0.00 57.88 57.90 3k5b h LEU 66 Cb 0.85 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.74 3k5b h LEU 66 CO 0.07 0.85 0.15 0.25 -0.13 0.00 0.00 178.44 179.63 3k5b h LEU 67 N 0.97 0.00 0.00 2.25 6.46 -0.09 -2.34 115.31 122.56 3k5b h LEU 67 Ca 0.23 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.88 3k5b h LEU 67 Cb 0.20 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 3k5b h LEU 67 CO -0.02 0.00 -0.89 0.52 -0.62 0.00 0.00 178.44 177.43 3k5b n VAL 68 N -2.83 1.47 -0.25 1.05 0.31 -0.92 -3.92 118.33 113.24 3k5b n VAL 68 Ca -0.02 0.10 0.06 0.00 -0.01 0.00 0.00 64.34 64.47 3k5b n VAL 68 Cb 0.20 -2.23 0.19 0.00 -0.91 0.00 0.00 33.84 31.09 3k5b n VAL 68 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k5b h ALA 69 N -0.80 1.00 -0.63 3.52 0.00 -1.13 0.21 119.26 121.44 3k5b h ALA 69 Ca -0.16 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3k5b h ALA 69 Cb 0.88 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3k5b h ALA 69 CO -0.10 -0.33 0.06 1.79 0.00 0.00 0.00 179.25 180.67 3k5b h THR 70 N 0.29 1.26 0.00 0.00 1.35 -1.66 0.11 112.91 114.27 3k5b h THR 70 Ca 0.43 -1.09 -0.05 0.00 -0.55 0.00 0.00 66.41 65.15 3k5b h THR 70 Cb 0.73 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 3k5b h THR 70 CO -0.50 0.40 -0.21 0.00 -0.25 0.00 0.00 175.52 174.95 3k5b h ALA 71 N 1.01 1.47 -0.07 6.62 0.00 -1.15 0.17 119.26 127.31 3k5b h ALA 71 Ca 0.18 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 3k5b h ALA 71 Cb 0.50 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.27 3k5b h ALA 71 CO 0.02 0.27 -0.91 0.00 0.00 0.00 0.00 179.25 178.63 3k5b h ARG 72 N 0.00 0.75 -0.49 0.00 3.08 -0.64 -3.02 114.38 114.05 3k5b h ARG 72 Ca -0.00 -0.71 0.00 0.00 0.07 0.00 0.00 59.98 59.34 3k5b h ARG 72 Cb 0.43 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 3k5b h ARG 72 CO 0.03 1.29 0.31 1.15 -1.07 0.00 0.00 179.97 181.68 3k5b h THR 73 N 0.46 1.14 -0.61 2.04 2.02 0.33 0.82 112.91 119.11 3k5b h THR 73 Ca -0.09 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.81 3k5b h THR 73 Cb 1.56 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 3k5b h THR 73 CO 0.18 0.14 0.41 -0.61 0.37 0.00 0.00 175.52 176.01 3k5b h GLN 74 N 0.66 0.81 0.07 6.66 4.15 -0.83 0.30 115.11 126.92 3k5b h GLN 74 Ca 0.18 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 3k5b h GLN 74 Cb -0.04 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.47 3k5b h GLN 74 CO -0.04 0.53 -0.03 0.00 -1.93 0.00 0.00 178.83 177.37 3k5b h ALA 75 N 1.22 -0.09 -0.83 3.38 0.00 -1.29 -1.01 119.26 120.64 3k5b h ALA 75 Ca 0.22 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3k5b h ALA 75 Cb -0.10 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3k5b h ALA 75 CO -0.05 -0.39 0.54 -0.09 0.00 0.00 0.00 179.25 179.27 3k5b h ARG 76 N -0.41 0.95 0.63 0.00 2.43 0.78 -2.50 114.38 116.26 3k5b h ARG 76 Ca -0.01 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3k5b h ARG 76 Cb 0.36 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3k5b h ARG 76 CO 0.02 0.63 -0.31 0.78 -1.51 0.00 0.00 179.97 179.57 3k5b h GLY 77 N 0.98 -0.92 -1.21 2.80 0.00 -0.29 -2.57 103.07 101.86 3k5b h GLY 77 Ca 0.34 0.35 0.45 0.00 0.00 0.00 0.00 47.33 48.47 3k5b h GLY 77 CO -0.11 -0.33 0.73 1.18 0.00 0.00 0.00 176.54 178.01 3k5b n GLU 78 N -4.35 -0.05 -0.03 4.80 1.02 -0.39 -0.31 120.64 121.34 3k5b n GLU 78 Ca -0.11 1.31 -0.15 0.00 -0.02 0.00 0.00 57.16 58.19 3k5b n GLU 78 Cb 0.34 -2.47 -0.09 0.00 -0.02 0.00 0.00 31.44 29.20 3k5b n GLU 78 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3k5b h VAL 79 N 0.00 1.42 -0.64 2.62 2.07 -1.37 -2.29 116.25 118.07 3k5b h VAL 79 Ca 0.87 -1.76 0.03 0.00 0.82 0.00 0.00 66.70 66.65 3k5b h VAL 79 Cb 2.58 2.33 -0.04 0.00 -1.52 0.00 0.00 31.29 34.63 3k5b h VAL 79 CO -0.60 0.51 0.39 -0.07 0.02 0.00 0.00 177.57 177.83 3k5b h LEU 80 N -0.12 0.65 -1.24 2.57 3.38 -0.25 -0.89 115.31 119.41 3k5b h LEU 80 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k5b h LEU 80 Cb 1.01 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3k5b h LEU 80 CO 0.07 0.45 0.00 -0.08 0.09 0.00 0.00 178.44 178.97 3k5b h GLU 81 N 0.78 0.00 0.05 1.13 4.81 -0.92 -0.80 114.58 119.63 3k5b h GLU 81 Ca 0.26 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.15 3k5b h GLU 81 Cb 0.02 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3k5b h GLU 81 CO -0.10 0.00 -1.93 -1.91 -0.73 0.00 0.00 179.01 174.34 3k5b n GLU 82 N -2.69 0.69 -0.22 1.92 4.07 -0.86 -2.53 120.64 121.02 3k5b n GLU 82 Ca 0.01 0.25 -0.04 0.00 -0.06 0.00 0.00 57.16 57.32 3k5b n GLU 82 Cb 0.24 -1.72 0.13 0.00 -0.06 0.00 0.00 31.44 30.03 3k5b n GLU 82 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3k5b h VAL 83 N 0.03 1.24 -0.16 6.31 2.07 -0.79 -2.24 116.25 122.72 3k5b h VAL 83 Ca -0.38 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 3k5b h VAL 83 Cb 2.03 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 3k5b h VAL 83 CO 0.07 0.31 -0.14 -0.09 0.02 0.00 0.00 177.57 177.74 3k5b h ARG 84 N 1.02 0.37 -0.75 1.57 2.43 -1.30 -2.11 114.38 115.60 3k5b h ARG 84 Ca 0.23 -0.19 0.17 0.00 -0.81 0.00 0.00 59.98 59.39 3k5b h ARG 84 Cb 0.22 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.65 3k5b h ARG 84 CO -0.02 0.74 0.08 -0.09 -1.51 0.00 0.00 179.97 179.16 3k5b h ARG 85 N 0.01 0.15 0.14 0.20 1.12 -1.31 -1.37 114.38 113.32 3k5b h ARG 85 Ca 0.03 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.88 3k5b h ARG 85 Cb 0.66 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.59 3k5b h ARG 85 CO 0.04 0.10 -0.07 0.00 -3.11 0.00 0.00 179.97 176.93 3k5b h ARG 86 N 0.16 -0.18 -1.02 0.20 3.08 -1.42 -2.09 114.38 113.10 3k5b h ARG 86 Ca 0.42 0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.74 3k5b h ARG 86 Cb 0.74 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.76 3k5b h ARG 86 CO -0.61 0.22 0.68 0.28 -1.07 0.00 0.00 179.97 179.47 3k5b h VAL 87 N -0.65 0.54 0.03 2.04 2.07 -0.81 0.98 116.25 120.46 3k5b h VAL 87 Ca -0.02 -0.11 -0.24 0.00 0.82 0.00 0.00 66.70 67.15 3k5b h VAL 87 Cb 0.49 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3k5b h VAL 87 CO 0.03 0.06 -1.23 -0.09 0.02 0.00 0.00 177.57 176.36 3k5b h ARG 88 N 0.32 0.06 -0.48 1.57 2.43 -1.26 -3.20 114.38 113.81 3k5b h ARG 88 Ca 0.55 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.61 3k5b h ARG 88 Cb 1.54 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.11 3k5b h ARG 88 CO -0.21 0.94 0.23 1.49 -1.51 0.00 0.00 179.97 180.90 3k5b h GLU 89 N 0.02 0.67 0.01 0.20 4.81 -0.15 -1.01 114.58 119.14 3k5b h GLU 89 Ca -0.11 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3k5b h GLU 89 Cb 1.87 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.12 3k5b h GLU 89 CO 0.13 0.53 -0.01 0.00 -0.73 0.00 0.00 179.01 178.93 3k5b h ALA 90 N 1.58 -0.02 -0.29 2.92 0.00 -1.17 -2.30 119.26 119.98 3k5b h ALA 90 Ca 0.17 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 3k5b h ALA 90 Cb 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3k5b h ALA 90 CO -0.02 -0.46 -0.42 -0.07 0.00 0.00 0.00 179.25 178.28 3k5b h LEU 91 N -0.13 0.77 -0.92 0.00 3.38 -1.52 -2.37 115.31 114.53 3k5b h LEU 91 Ca -0.00 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 3k5b h LEU 91 Cb 0.12 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3k5b h LEU 91 CO 0.00 1.09 0.17 -0.33 0.09 0.00 0.00 178.44 179.46 3k5b h GLU 92 N 0.58 0.96 -0.65 1.13 4.39 -1.14 -2.21 114.58 117.65 3k5b h GLU 92 Ca 0.04 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3k5b h GLU 92 Cb 0.96 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3k5b h GLU 92 CO 0.09 0.84 0.00 0.00 -1.16 0.00 0.00 179.01 178.78 3k5b n ALA 93 N -2.46 3.53 -0.02 3.43 0.00 -0.87 -4.46 120.51 119.67 3k5b n ALA 93 Ca 0.05 -1.55 -0.17 0.00 0.00 0.00 0.00 53.44 51.77 3k5b n ALA 93 Cb 0.23 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 3k5b n ALA 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3k5b h LEU 94 N 3.39 0.79 -2.14 0.00 6.46 -0.84 -3.29 115.31 119.68 3k5b h LEU 94 Ca 0.00 -0.65 -0.01 0.00 -0.12 0.00 0.00 57.88 57.10 3k5b h LEU 94 Cb 1.65 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 41.34 3k5b h LEU 94 CO 0.37 1.31 -0.04 -0.65 -0.62 0.00 0.00 178.44 178.81 3k5b h PRO 95 N 0.32 0.00 -1.42 5.25 0.11 -1.78 -2.91 132.00 131.56 3k5b h PRO 95 Ca -0.05 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.86 3k5b h PRO 95 Cb 1.32 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.33 3k5b h PRO 95 CO 0.14 0.04 0.26 1.04 -0.21 0.00 0.00 178.00 179.27 3k5b n GLN 96 N -4.11 1.49 -3.95 1.05 3.00 -1.24 -4.82 117.38 108.81 3k5b n GLN 96 Ca -0.03 -1.03 -0.10 0.00 -0.01 0.00 0.00 57.00 55.84 3k5b n GLN 96 Cb 0.13 -1.40 -0.06 0.00 0.00 0.00 0.00 30.24 28.90 3k5b n GLN 96 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3k5b s LYS 97 N -1.17 1.28 0.37 -1.09 3.01 -1.10 -5.14 119.74 115.88 3k5b s LYS 97 Ca 0.20 -1.16 -0.06 0.00 -1.01 0.00 0.00 55.97 53.94 3k5b s LYS 97 Cb 0.16 0.41 0.09 0.00 -1.01 0.00 0.00 37.83 37.49 3k5b s LYS 97 CO 0.01 -0.49 0.32 -0.35 0.51 0.00 0.00 175.35 175.34 3k5b n PRO 98 N -0.27 -1.73 -0.20 -1.68 -0.04 -1.26 -3.71 135.00 126.10 3k5b n PRO 98 Ca -0.06 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 3k5b n PRO 98 Cb 0.63 -0.49 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 3k5b n PRO 98 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3k5b n GLU 99 N -2.53 0.00 -0.17 0.54 0.00 -1.26 -4.73 120.64 112.50 3k5b n GLU 99 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.11 3k5b n GLU 99 Cb 0.17 -3.30 0.04 0.00 0.00 0.00 0.00 31.44 28.35 3k5b n GLU 99 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.13 179.48 3k5b h TRP 100 N 0.00 1.09 -0.58 -1.84 -0.00 -1.83 -2.97 115.95 109.81 3k5b h TRP 100 Ca 0.00 -0.22 -0.05 0.00 -0.00 0.00 0.00 58.89 58.62 3k5b h TRP 100 Cb 0.00 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 28.86 3k5b h TRP 100 CO 0.00 1.02 0.18 -1.00 -0.00 0.00 0.00 178.44 178.64 3k5b h PRO 101 N 0.87 0.90 0.00 2.65 0.13 -1.85 -1.40 132.00 133.31 3k5b h PRO 101 Ca 0.14 -0.19 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 3k5b h PRO 101 Cb 0.66 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 3k5b h PRO 101 CO 0.05 0.81 -0.13 0.93 -0.23 0.00 0.00 178.00 179.43 3k5b h GLU 102 N 0.82 0.00 0.13 0.86 5.08 -1.94 -2.30 114.58 117.22 3k5b h GLU 102 Ca 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3k5b h GLU 102 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3k5b h GLU 102 CO -0.01 0.13 -0.06 0.28 -1.00 0.00 0.00 179.01 178.35 3k5b h VAL 103 N 0.00 1.05 -0.58 3.13 2.07 -1.31 -3.13 116.25 117.47 3k5b h VAL 103 Ca -0.00 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.58 3k5b h VAL 103 Cb 0.26 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3k5b h VAL 103 CO 0.02 0.22 0.34 -0.37 0.02 0.00 0.00 177.57 177.79 3k5b h VAL 104 N -0.66 1.02 -0.35 2.57 -1.51 -0.74 -2.39 116.25 114.20 3k5b h VAL 104 Ca -0.02 -0.22 -0.06 0.00 -1.23 0.00 0.00 66.70 65.17 3k5b h VAL 104 Cb 0.50 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 29.96 3k5b h VAL 104 CO 0.03 0.12 0.00 0.03 -1.23 0.00 0.00 177.57 176.52 3k5b h ARG 105 N 0.65 0.62 0.00 5.19 3.08 -1.58 -2.99 114.38 119.35 3k5b h ARG 105 Ca 0.25 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3k5b h ARG 105 Cb 0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3k5b h ARG 105 CO -0.13 0.73 -0.08 -0.22 -1.07 0.00 0.00 179.97 179.20 3k5b h LYS 106 N 0.43 0.00 0.28 0.04 3.64 -1.40 0.36 116.57 119.92 3k5b h LYS 106 Ca 0.10 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3k5b h LYS 106 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3k5b h LYS 106 CO 0.02 0.08 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.07 3k5b h LEU 107 N 0.00 -0.32 -2.03 5.20 3.38 -1.32 -3.23 115.31 116.98 3k5b h LEU 107 Ca -0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3k5b h LEU 107 Cb 0.15 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3k5b h LEU 107 CO 0.01 0.02 -0.09 0.00 0.09 0.00 0.00 178.44 178.47 3k5b h ALA 108 N -0.10 1.47 -0.09 1.53 0.00 -1.20 -2.55 119.26 118.32 3k5b h ALA 108 Ca -0.04 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3k5b h ALA 108 Cb 0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3k5b h ALA 108 CO 0.06 0.11 -0.02 1.37 0.00 0.00 0.00 179.25 180.78 3k5b h LEU 109 N 0.00 -0.07 -1.52 0.00 -0.00 -0.98 -2.86 115.31 109.88 3k5b h LEU 109 Ca -0.00 0.03 -0.04 0.00 -0.00 0.00 0.00 57.88 57.86 3k5b h LEU 109 Cb 0.22 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 3k5b h LEU 109 CO 0.01 -0.02 -0.17 1.05 -0.00 0.00 0.00 178.44 179.31 3k5b h GLU 110 N 0.01 0.09 -0.63 0.17 -0.00 -1.49 0.36 114.58 113.09 3k5b h GLU 110 Ca 0.04 -0.02 0.04 0.00 -0.00 0.00 0.00 59.36 59.43 3k5b h GLU 110 Cb 0.06 -0.01 -0.05 0.00 -0.00 0.00 0.00 28.75 28.75 3k5b h GLU 110 CO -0.09 0.27 0.37 0.00 -0.00 0.00 0.00 179.01 179.56 3k5b h ALA 111 N 1.74 0.84 0.00 1.06 0.00 -1.44 0.48 119.26 121.94 3k5b h ALA 111 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 3k5b h ALA 111 Cb 0.36 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3k5b h ALA 111 CO 0.02 0.07 -1.53 1.37 0.00 0.00 0.00 179.25 179.19 3k5b h LEU 112 N 0.70 0.01 -1.34 0.00 -0.00 -1.47 -3.36 115.31 109.85 3k5b h LEU 112 Ca 0.27 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 58.08 3k5b h LEU 112 Cb 0.11 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 3k5b h LEU 112 CO -0.15 1.01 -0.25 -0.33 -0.00 0.00 0.00 178.44 178.73 3k5b h GLU 113 N 0.00 0.00 0.00 0.17 4.39 0.06 -3.44 114.58 115.77 3k5b h GLU 113 Ca -0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.48 3k5b h GLU 113 Cb 1.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 3k5b h GLU 113 CO 0.09 0.25 0.00 0.00 -1.16 0.00 0.00 179.01 178.19 3k5b n ALA 114 N -2.29 0.00 -0.29 3.43 0.00 0.17 -4.94 120.51 116.59 3k5b n ALA 114 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.44 3k5b n ALA 114 Cb 0.39 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.98 3k5b n ALA 114 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 3k5b h LEU 115 N 0.00 0.73 -9.84 0.00 8.10 -1.86 -3.45 115.31 109.00 3k5b h LEU 115 Ca 0.00 0.03 -0.56 0.00 0.11 0.00 0.00 57.88 57.46 3k5b h LEU 115 Cb 0.00 -0.12 0.12 0.00 -0.44 0.00 0.00 40.66 40.22 3k5b h LEU 115 CO 0.00 0.45 0.50 -2.65 -4.11 0.00 0.00 178.44 172.64 3k5b n PRO 116 N -4.69 1.95 -1.51 0.17 -0.02 -1.26 -5.03 135.00 124.60 3k5b n PRO 116 Ca 0.12 0.69 -0.30 0.00 -2.02 0.00 0.00 63.50 61.99 3k5b n PRO 116 Cb 0.21 -2.40 0.08 0.00 -0.02 0.00 0.00 33.50 31.37 3k5b n PRO 116 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3k5b s GLY 117 N -0.53 1.64 0.51 -1.23 0.00 -1.26 -4.74 107.32 101.71 3k5b s GLY 117 Ca 0.61 -0.06 -0.18 0.00 0.00 0.00 0.00 44.72 45.09 3k5b s GLY 117 CO 0.58 0.33 1.01 0.00 0.00 0.00 0.00 173.10 175.01 3k5b s ALA 118 N -3.08 2.95 0.02 3.20 0.00 -1.26 -4.34 121.76 119.25 3k5b s ALA 118 Ca 0.60 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3k5b s ALA 118 Cb -0.15 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3k5b s ALA 118 CO 0.55 -0.31 0.00 1.63 0.00 0.00 0.00 175.76 177.63 3k5b n LYS 119 N -1.36 0.00 -3.80 0.00 4.01 -1.25 -4.69 118.16 111.07 3k5b n LYS 119 Ca 0.08 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.87 3k5b n LYS 119 Cb 0.53 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.06 3k5b n LYS 119 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3k5b s ALA 120 N -1.06 -2.02 0.24 7.82 0.00 -1.18 -4.27 121.76 121.30 3k5b s ALA 120 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 51.96 52.02 3k5b s ALA 120 Cb 0.00 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 3k5b s ALA 120 CO 0.00 -1.08 0.41 -0.51 0.00 0.00 0.00 175.76 174.58 3k5b s LEU 121 N -3.29 0.50 0.15 0.00 1.43 -1.20 -1.14 118.68 115.14 3k5b s LEU 121 Ca 0.20 -1.04 -0.05 0.00 -1.03 0.00 0.00 54.13 52.21 3k5b s LEU 121 Cb 0.00 1.49 -0.02 0.00 0.03 0.00 0.00 46.19 47.69 3k5b s LEU 121 CO 0.00 -1.09 0.18 0.68 0.23 0.00 0.00 176.35 176.36 3k5b s VAL 122 N -4.01 0.08 0.11 -1.59 -7.23 -1.02 -3.73 120.40 103.01 3k5b s VAL 122 Ca 0.26 -1.65 -0.11 0.00 -1.81 0.00 0.00 61.98 58.67 3k5b s VAL 122 Cb 0.01 -1.96 0.04 0.00 0.56 0.00 0.00 36.38 35.02 3k5b s VAL 122 CO 0.10 -0.36 0.55 0.00 -0.31 0.00 0.00 175.10 175.08 3k5b n ALA 123 N -0.17 -1.41 -0.65 1.32 0.00 -1.26 -3.43 120.51 114.91 3k5b n ALA 123 Ca -0.06 -0.57 -0.31 0.00 0.00 0.00 0.00 53.44 52.50 3k5b n ALA 123 Cb 0.63 0.33 0.18 0.00 0.00 0.00 0.00 19.45 20.60 3k5b n ALA 123 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3k5b s ASN 124 N -2.31 2.55 0.00 0.00 -0.87 -1.26 -4.44 114.94 108.61 3k5b s ASN 124 Ca 0.12 2.10 0.29 0.00 -1.57 0.00 0.00 52.86 53.80 3k5b s ASN 124 Cb -0.02 -2.53 1.72 0.00 -0.02 0.00 0.00 41.25 40.40 3k5b s ASN 124 CO 0.03 -3.32 2.09 -0.81 -2.57 0.00 0.00 177.10 172.52 3k5b n PRO 125 N -4.37 0.96 -0.00 -0.60 -0.04 -1.26 -1.96 135.00 127.72 3k5b n PRO 125 Ca 0.11 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 3k5b n PRO 125 Cb 0.52 -1.47 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 3k5b n PRO 125 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3k5b n GLU 126 N -0.97 0.59 0.02 0.54 -0.58 -1.26 -3.76 120.64 115.22 3k5b n GLU 126 Ca 0.22 -0.01 0.14 0.00 -0.42 0.00 0.00 57.16 57.08 3k5b n GLU 126 Cb 0.10 -1.42 0.53 0.00 -0.57 0.00 0.00 31.44 30.08 3k5b n GLU 126 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3k5b n ASP 127 N -1.52 0.22 0.02 1.62 10.43 -0.83 -4.16 116.55 122.34 3k5b n ASP 127 Ca 0.03 0.42 -0.13 0.00 2.57 0.00 0.00 54.79 57.68 3k5b n ASP 127 Cb 0.32 -0.45 -0.09 0.00 1.84 0.00 0.00 41.12 42.74 3k5b n ASP 127 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3k5b h LEU 128 N 0.00 -0.09 -1.94 0.64 3.38 -1.65 -1.50 115.31 114.16 3k5b h LEU 128 Ca 0.00 -0.43 0.43 0.00 0.09 0.00 0.00 57.88 57.97 3k5b h LEU 128 Cb 0.55 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3k5b h LEU 128 CO 0.00 0.41 1.05 -0.65 0.09 0.00 0.00 178.44 179.33 3k5b h PRO 129 N -0.62 0.02 -0.51 1.13 0.11 -1.76 0.68 132.00 131.05 3k5b h PRO 129 Ca -0.01 -0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.80 3k5b h PRO 129 Cb 0.51 -0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.44 3k5b h PRO 129 CO 0.02 0.01 -0.03 0.72 -0.21 0.00 0.00 178.00 178.51 3k5b n HIS 130 N -4.14 1.65 -2.71 0.65 8.25 -1.06 -4.76 115.22 113.10 3k5b n HIS 130 Ca 0.33 -1.84 -0.08 0.00 -0.26 0.00 0.00 57.72 55.87 3k5b n HIS 130 Cb 1.51 -0.60 0.10 0.00 1.12 0.00 0.00 29.99 32.12 3k5b n HIS 130 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3k5b n LEU 131 N -1.06 -2.10 -0.47 2.41 4.32 0.23 -4.70 117.00 115.63 3k5b n LEU 131 Ca 0.40 -3.48 0.05 0.00 -0.02 0.00 0.00 56.01 52.96 3k5b n LEU 131 Cb 1.05 0.60 0.08 0.00 -1.62 0.00 0.00 43.42 43.53 3k5b n LEU 131 CO 0.30 1.96 0.36 -1.84 -1.22 0.00 0.00 177.39 176.96 3k5b n GLU 132 N -0.02 0.68 0.00 3.23 -0.00 -1.25 -4.54 120.64 118.75 3k5b n GLU 132 Ca 0.01 -2.01 0.14 0.00 -0.00 0.00 0.00 57.16 55.30 3k5b n GLU 132 Cb 0.76 -0.96 0.75 0.00 -0.00 0.00 0.00 31.44 31.99 3k5b n GLU 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3k5b n ALA 133 N -0.63 2.44 0.00 -1.84 0.00 -1.26 -3.31 120.51 115.92 3k5b n ALA 133 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3k5b n ALA 133 Cb 0.73 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3k5b n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k5b n ALA 135 N -1.16 0.00 0.41 0.00 0.00 -1.26 -3.56 120.51 114.94 3k5b n ALA 135 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.74 3k5b n ALA 135 Cb 0.16 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.10 3k5b n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k5b h ARG 136 N 0.00 0.00 -2.13 0.00 3.08 -1.95 -3.17 114.38 110.20 3k5b h ARG 136 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 3k5b h ARG 136 Cb 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 29.83 3k5b h ARG 136 CO 0.00 0.00 1.03 -0.85 -1.07 0.00 0.00 179.97 179.08 3k5b n GLU 137 N -2.51 3.35 -3.52 0.04 0.28 -1.23 -4.88 120.64 112.17 3k5b n GLU 137 Ca 0.03 -3.29 -0.24 0.00 -0.16 0.00 0.00 57.16 53.50 3k5b n GLU 137 Cb 0.32 -2.31 0.04 0.00 1.43 0.00 0.00 31.44 30.91 3k5b n GLU 137 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3k5b n ARG 138 N 0.38 -1.47 0.04 3.44 1.74 -1.22 -4.90 116.66 114.67 3k5b n ARG 138 Ca 0.52 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 58.29 3k5b n ARG 138 Cb 0.35 -4.56 0.00 0.00 -1.02 0.00 0.00 32.46 27.23 3k5b n ARG 138 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k5b n GLY 139 N -1.59 -0.66 0.00 -0.13 0.00 -1.21 -4.80 105.19 96.79 3k5b n GLY 139 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3k5b n GLY 139 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3k5b n VAL 140 N -2.72 -0.56 -2.88 1.61 3.14 -1.20 -4.11 118.33 111.61 3k5b n VAL 140 Ca 0.00 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.18 3k5b n VAL 140 Cb 0.00 -0.10 0.06 0.00 -1.06 0.00 0.00 33.84 32.74 3k5b n VAL 140 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 3k5b s GLU 141 N -5.35 2.23 0.00 1.45 -1.05 -1.26 -3.22 118.70 111.50 3k5b s GLU 141 Ca 0.00 -1.37 0.00 0.00 -0.15 0.00 0.00 54.97 53.45 3k5b s GLU 141 Cb 0.00 -2.57 0.00 0.00 -0.44 0.00 0.00 34.13 31.12 3k5b s GLU 141 CO 0.00 -0.92 0.00 1.28 0.95 0.00 0.00 175.26 176.57 3k5b n LEU 142 N -2.35 0.00 -4.48 1.83 7.99 -1.24 -4.99 117.00 113.75 3k5b n LEU 142 Ca 0.14 0.00 -0.33 0.00 -0.01 0.00 0.00 56.01 55.81 3k5b n LEU 142 Cb 0.61 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.79 3k5b n LEU 142 CO 0.41 0.00 -0.43 -1.83 -1.51 0.00 0.00 177.39 174.02 3k5b s GLU 145 N 3.78 2.76 0.00 3.23 -1.05 -1.26 -4.51 118.70 121.65 3k5b s GLU 145 Ca 0.00 -0.66 0.15 0.00 -0.15 0.00 0.00 54.97 54.31 3k5b s GLU 145 Cb 0.00 -2.49 0.64 0.00 -0.44 0.00 0.00 34.13 31.84 3k5b s GLU 145 CO 0.00 0.54 1.44 -2.30 0.95 0.00 0.00 175.26 175.89 3k5b n PRO 146 N 2.57 1.41 -3.01 -4.83 -0.02 -1.26 -4.94 135.00 124.92 3k5b n PRO 146 Ca -0.17 -0.63 -0.13 0.00 -2.02 0.00 0.00 63.50 60.54 3k5b n PRO 146 Cb 0.52 -1.27 0.06 0.00 -0.02 0.00 0.00 33.50 32.79 3k5b n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k5b n ALA 147 N -0.09 -1.97 0.35 3.55 0.00 -1.26 -4.92 120.51 116.18 3k5b n ALA 147 Ca 0.12 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.73 3k5b n ALA 147 Cb 0.19 -3.92 0.48 0.00 0.00 0.00 0.00 19.45 16.20 3k5b n ALA 147 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k5b n LEU 148 N -3.13 0.57 0.00 0.00 4.32 -1.26 -4.90 117.00 112.60 3k5b n LEU 148 Ca -0.12 0.66 0.00 0.00 -0.02 0.00 0.00 56.01 56.54 3k5b n LEU 148 Cb 0.61 -0.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3k5b n LEU 148 CO 0.49 -0.60 0.00 0.54 -1.22 0.00 0.00 177.39 176.60 3k5b n ARG 149 N -2.16 0.00 -2.92 3.23 5.12 -1.26 -2.65 116.66 116.02 3k5b n ARG 149 Ca 0.02 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.80 3k5b n ARG 149 Cb 0.18 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.50 3k5b n ARG 149 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3k5b n LEU 150 N 0.00 0.51 -3.85 0.55 7.99 -1.26 -4.93 117.00 116.02 3k5b n LEU 150 Ca 0.00 -4.30 -0.03 0.00 -0.01 0.00 0.00 56.01 51.67 3k5b n LEU 150 Cb 0.00 0.59 0.01 0.00 -0.11 0.00 0.00 43.42 43.91 3k5b n LEU 150 CO 0.00 1.98 0.81 -0.83 -1.51 0.00 0.00 177.39 177.84 3k5b s GLY 151 N -2.46 0.03 -0.14 -0.72 0.00 -1.09 -1.91 107.32 101.04 3k5b s GLY 151 Ca 0.32 -0.21 -0.04 0.00 0.00 0.00 0.00 44.72 44.79 3k5b s GLY 151 CO -0.04 1.96 0.25 0.14 0.00 0.00 0.00 173.10 175.41 3k5b s VAL 152 N -2.37 -0.39 0.60 1.40 1.01 -0.83 -4.72 120.40 115.10 3k5b s VAL 152 Ca 0.20 0.21 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 3k5b s VAL 152 Cb -0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3k5b s VAL 152 CO 0.04 0.06 1.02 0.00 0.00 0.00 0.00 175.10 176.23 3k5b s ARG 153 N 2.39 3.58 0.07 2.72 3.03 -1.22 -2.00 118.95 127.51 3k5b s ARG 153 Ca 0.03 0.88 0.05 0.00 2.03 0.00 0.00 55.73 58.72 3k5b s ARG 153 Cb -0.13 -2.08 -0.03 0.00 -1.03 0.00 0.00 34.95 31.69 3k5b s ARG 153 CO -0.09 -0.58 -0.13 0.00 -1.13 0.00 0.00 175.30 173.37 3k5b s ALA 154 N -2.93 1.06 -0.26 7.88 0.00 0.14 -2.44 121.76 125.21 3k5b s ALA 154 Ca 0.57 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 3k5b s ALA 154 Cb -0.12 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.97 3k5b s ALA 154 CO 0.46 0.13 -0.06 0.08 0.00 0.00 0.00 175.76 176.37 3k5b s VAL 155 N -1.29 2.79 0.21 0.00 1.01 -0.29 -3.09 120.40 119.74 3k5b s VAL 155 Ca -0.04 -1.14 0.14 0.00 0.00 0.00 0.00 61.98 60.95 3k5b s VAL 155 Cb -0.10 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.86 3k5b s VAL 155 CO 0.02 0.14 1.66 1.23 0.00 0.00 0.00 175.10 178.15 3k5b h GLY 156 N 7.98 0.00 0.00 4.51 0.00 -1.55 -3.12 103.07 110.89 3k5b h GLY 156 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3k5b h GLY 156 CO 0.56 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.10 3k5b n ALA 157 N -2.36 0.00 -0.10 3.60 0.00 -1.26 -4.13 120.51 116.27 3k5b n ALA 157 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 3k5b n ALA 157 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.04 3k5b n ALA 157 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3k5b h GLU 158 N 0.00 0.86 -4.52 0.00 5.08 -1.97 -3.33 114.58 110.71 3k5b h GLU 158 Ca 0.00 -0.43 -0.66 0.00 -1.00 0.00 0.00 59.36 57.27 3k5b h GLU 158 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3k5b h GLU 158 CO 0.00 1.07 2.63 0.41 -1.00 0.00 0.00 179.01 182.12 3k5b n GLY 159 N 0.03 3.41 0.00 -3.84 0.00 -1.26 -4.88 105.19 98.64 3k5b n GLY 159 Ca -0.01 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3k5b n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k5b n LYS 160 N 6.85 0.00 0.00 1.61 5.02 -1.25 -4.72 118.16 125.66 3k5b n LYS 160 Ca 0.50 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 3k5b n LYS 160 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 3k5b n LYS 160 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3k5b n THR 161 N -0.08 0.00 -2.20 -0.18 -1.04 -1.26 -1.81 114.28 107.72 3k5b n THR 161 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 3k5b n THR 161 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 3k5b n THR 161 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k5b n GLN 162 N 0.00 -2.48 -3.95 -2.82 1.13 -1.26 -4.98 117.38 103.02 3k5b n GLN 162 Ca 0.00 2.11 -0.28 0.00 -1.94 0.00 0.00 57.00 56.89 3k5b n GLN 162 Cb 0.00 -3.57 -0.17 0.00 0.11 0.00 0.00 30.24 26.62 3k5b n GLN 162 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k5b s VAL 163 N -0.69 1.22 -0.14 5.09 1.01 -1.18 -5.02 120.40 120.71 3k5b s VAL 163 Ca -0.09 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3k5b s VAL 163 Cb 0.01 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.19 3k5b s VAL 163 CO 0.48 0.39 -0.21 -0.70 0.00 0.00 0.00 175.10 175.07 3k5b s GLU 164 N 1.63 2.86 -0.47 2.72 2.56 -1.26 0.25 118.70 126.99 3k5b s GLU 164 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 54.97 54.23 3k5b s GLU 164 Cb -0.13 -2.33 0.12 0.00 2.00 0.00 0.00 34.13 33.80 3k5b s GLU 164 CO -0.09 -0.03 0.24 1.21 -0.56 0.00 0.00 175.26 176.03 3k5b s ASN 165 N 0.87 4.94 0.08 -1.70 3.04 -0.85 -4.99 114.94 116.31 3k5b s ASN 165 Ca -0.07 -2.48 0.09 0.00 0.04 0.00 0.00 52.86 50.45 3k5b s ASN 165 Cb -0.15 -1.75 -0.03 0.00 -1.54 0.00 0.00 41.25 37.78 3k5b s ASN 165 CO -0.02 -0.39 -0.24 -0.55 -3.04 0.00 0.00 177.10 172.85 3k5b s SER 166 N 0.87 3.40 0.11 -4.21 0.15 -1.26 -1.96 113.70 110.81 3k5b s SER 166 Ca 0.13 -0.60 -0.12 0.00 0.70 0.00 0.00 55.95 56.05 3k5b s SER 166 Cb -0.22 -0.35 -0.13 0.00 -1.71 0.00 0.00 66.02 63.61 3k5b s SER 166 CO -0.04 0.23 1.34 0.17 1.20 0.00 0.00 173.24 176.14 3k5b h LEU 167 N 4.37 0.97 0.01 3.45 -0.00 -1.79 -0.04 115.31 122.29 3k5b h LEU 167 Ca -0.48 -0.59 -0.00 0.00 -0.00 0.00 0.00 57.88 56.80 3k5b h LEU 167 Cb 1.16 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 3k5b h LEU 167 CO 0.43 1.39 -0.01 -0.07 -0.00 0.00 0.00 178.44 180.19 3k5b h LEU 168 N 0.59 -0.01 -1.17 0.17 -0.00 -1.97 -3.02 115.31 109.90 3k5b h LEU 168 Ca -0.03 -0.10 0.01 0.00 -0.00 0.00 0.00 57.88 57.77 3k5b h LEU 168 Cb 1.31 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.93 3k5b h LEU 168 CO 0.15 0.09 0.56 0.00 -0.00 0.00 0.00 178.44 179.23 3k5b h ALA 169 N 0.87 1.41 0.00 1.53 0.00 -1.93 -2.21 119.26 118.93 3k5b h ALA 169 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3k5b h ALA 169 Cb 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3k5b h ALA 169 CO 0.00 0.54 0.00 0.54 0.00 0.00 0.00 179.25 180.33 3k5b n ARG 170 N -4.41 0.91 0.00 0.00 1.74 -0.03 -2.71 116.66 112.16 3k5b n ARG 170 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3k5b n ARG 170 Cb 0.04 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 3k5b n ARG 170 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3k5b n ASP 172 N 1.38 0.00 -3.48 0.55 8.00 -0.83 -3.65 116.55 118.51 3k5b n ASP 172 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 3k5b n ASP 172 Cb 0.46 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 3k5b n ASP 172 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3k5b n ARG 173 N 0.00 4.25 0.00 -1.24 1.74 -1.10 -3.89 116.66 116.42 3k5b n ARG 173 Ca 0.00 -3.15 0.00 0.00 -0.77 0.00 0.00 57.85 53.93 3k5b n ARG 173 Cb 0.00 -2.72 0.00 0.00 -1.02 0.00 0.00 32.46 28.72 3k5b n ARG 173 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k5b n ALA 174 N 2.49 0.00 0.07 7.54 0.00 -1.24 -4.74 120.51 124.64 3k5b n ALA 174 Ca 0.64 0.00 0.04 0.00 0.00 0.00 0.00 53.44 54.12 3k5b n ALA 174 Cb 0.26 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.94 3k5b n ALA 174 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3k5b n TRP 175 N -2.05 0.29 -0.05 0.00 -0.00 -1.25 -1.35 117.44 113.03 3k5b n TRP 175 Ca 0.00 0.15 -0.04 0.00 -0.00 0.00 0.00 57.50 57.61 3k5b n TRP 175 Cb 0.00 -0.69 -0.08 0.00 -0.00 0.00 0.00 31.31 30.54 3k5b n TRP 175 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 3k5b n ASP 176 N -1.78 2.48 0.00 5.87 4.64 -1.25 -4.21 116.55 122.29 3k5b n ASP 176 Ca -0.01 0.00 0.01 0.00 -1.38 0.00 0.00 54.79 53.41 3k5b n ASP 176 Cb 0.07 0.84 0.06 0.00 -1.04 0.00 0.00 41.12 41.04 3k5b n ASP 176 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3k5b n ALA 177 N -2.32 1.68 0.00 -1.67 0.00 -0.46 -4.90 120.51 112.83 3k5b n ALA 177 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3k5b n ALA 177 Cb 0.77 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.19 3k5b n ALA 177 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3k5b n SER 179 N -0.68 0.00 0.05 0.00 3.41 -1.26 -4.96 113.62 110.18 3k5b n SER 179 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.52 3k5b n SER 179 Cb 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 3k5b n SER 179 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3k5b h SER 180 N 2.00 -0.18 -0.77 4.04 4.64 -1.93 -3.12 113.55 118.22 3k5b h SER 180 Ca 0.00 -0.36 0.16 0.00 -0.47 0.00 0.00 61.79 61.13 3k5b h SER 180 Cb 0.00 0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 62.03 3k5b h SER 180 CO 0.00 0.37 0.25 0.11 -0.87 0.00 0.00 176.83 176.69 3k5b h LYS 181 N -0.85 0.33 -0.61 4.77 1.79 -1.97 1.44 116.57 121.47 3k5b h LYS 181 Ca -0.02 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 3k5b h LYS 181 Cb 0.53 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 3k5b h LYS 181 CO 0.04 0.22 0.08 -0.24 -1.08 0.00 0.00 179.45 178.46 3k5b h VAL 182 N 0.34 1.26 -0.41 0.50 3.04 -1.99 0.43 116.25 119.41 3k5b h VAL 182 Ca 0.44 -1.04 -0.05 0.00 -1.01 0.00 0.00 66.70 65.04 3k5b h VAL 182 Cb 0.74 0.74 -0.02 0.00 -2.01 0.00 0.00 31.29 30.74 3k5b h VAL 182 CO -0.48 0.38 0.08 0.00 -1.01 0.00 0.00 177.57 176.54 3k5b h ALA 183 N 1.01 0.55 -0.92 3.17 0.00 -0.74 -0.31 119.26 122.02 3k5b h ALA 183 Ca 0.18 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3k5b h ALA 183 Cb 0.46 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 3k5b h ALA 183 CO 0.02 0.25 0.59 0.37 0.00 0.00 0.00 179.25 180.47 3k5b h GLN 184 N 0.53 0.80 0.01 0.00 4.15 0.21 -0.59 115.11 120.22 3k5b h GLN 184 Ca 0.13 -0.05 -0.19 0.00 0.77 0.00 0.00 58.65 59.31 3k5b h GLN 184 Cb 0.35 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3k5b h GLN 184 CO 0.01 0.53 -0.89 0.00 -1.93 0.00 0.00 178.83 176.55 3k5b h ALA 185 N 1.57 0.54 0.06 3.38 0.00 -0.62 -3.14 119.26 121.05 3k5b h ALA 185 Ca 0.45 -0.78 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3k5b h ALA 185 Cb 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3k5b h ALA 185 CO -0.21 1.05 -0.03 -0.07 0.00 0.00 0.00 179.25 179.99 3k5b h LEU 186 N 0.02 -0.07 0.00 0.00 3.38 0.01 -3.44 115.31 115.21 3k5b h LEU 186 Ca -0.02 -0.57 -0.14 0.00 0.09 0.00 0.00 57.88 57.24 3k5b h LEU 186 Cb 1.55 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 3k5b h LEU 186 CO 0.12 0.59 -1.33 0.79 0.09 0.00 0.00 178.44 178.71 3k5b n TRP 187 N -4.81 0.00 1.52 1.13 8.01 -0.33 -5.10 117.44 117.87 3k5b n TRP 187 Ca -0.08 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.23 3k5b n TRP 187 Cb 0.31 -0.35 0.72 0.00 -2.01 0.00 0.00 31.31 29.98 3k5b n TRP 187 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09