#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3y n THR 2 N 0.00 -0.55 -0.93 6.31 -2.24 -1.26 -5.15 114.28 110.46 1c3y n THR 2 Ca 0.00 -2.36 -0.12 0.00 -2.27 0.00 0.00 64.05 59.30 1c3y n THR 2 Cb 0.00 -0.30 0.10 0.00 -2.10 0.00 0.00 70.33 68.02 1c3y n THR 2 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1c3y n PRO 3 N 2.53 -1.46 0.00 -0.78 -0.04 -1.26 -5.05 135.00 128.95 1c3y n PRO 3 Ca 0.22 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 1c3y n PRO 3 Cb 0.54 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 33.36 1c3y n PRO 3 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1c3y n ARG 4 N -2.65 0.00 -0.06 0.54 1.74 -1.26 -4.99 116.66 109.98 1c3y n ARG 4 Ca 0.06 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.10 1c3y n ARG 4 Cb 0.24 -0.05 -0.01 0.00 -1.02 0.00 0.00 32.46 31.62 1c3y n ARG 4 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1c3y n GLU 5 N -2.39 0.38 -2.71 5.56 -0.58 -1.26 -5.07 120.64 114.57 1c3y n GLU 5 Ca 0.00 0.42 -0.02 0.00 -0.42 0.00 0.00 57.16 57.14 1c3y n GLU 5 Cb 0.00 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 1c3y n GLU 5 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1c3y n LYS 6 N -4.16 -3.17 -2.75 3.49 4.81 -1.26 -4.90 118.16 110.21 1c3y n LYS 6 Ca -0.07 2.59 -0.43 0.00 -0.87 0.00 0.00 58.31 59.54 1c3y n LYS 6 Cb 0.25 -5.34 -0.03 0.00 0.02 0.00 0.00 35.03 29.93 1c3y n LYS 6 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1c3y s LEU 7 N -1.81 3.95 -0.27 3.14 0.05 -1.26 -4.96 118.68 117.52 1c3y s LEU 7 Ca 0.06 0.71 -0.35 0.00 0.05 0.00 0.00 54.13 54.59 1c3y s LEU 7 Cb -0.02 -3.36 0.16 0.00 -2.05 0.00 0.00 46.19 40.93 1c3y s LEU 7 CO 0.76 -0.88 1.33 -1.59 -0.55 0.00 0.00 176.35 175.42 1c3y s LYS 8 N 3.58 0.10 0.00 1.48 0.00 -1.26 -5.12 119.74 118.53 1c3y s LYS 8 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 55.97 56.36 1c3y s LYS 8 Cb -0.12 0.05 0.00 0.00 0.00 0.00 0.00 37.83 37.76 1c3y s LYS 8 CO 0.18 -0.04 0.00 1.04 0.00 0.00 0.00 175.35 176.53 1c3y n GLN 9 N 0.14 0.00 0.00 1.78 6.02 -1.26 -5.07 117.38 118.99 1c3y n GLN 9 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1c3y n GLN 9 Cb 0.57 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.83 1c3y n GLN 9 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1c3y n HIS 10 N -1.50 0.00 -2.42 1.08 1.44 -1.26 -5.01 115.22 107.55 1c3y n HIS 10 Ca 0.00 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1c3y n HIS 10 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 1c3y n HIS 10 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1c3y n SER 11 N 0.00 -0.16 -0.26 4.39 2.88 -1.26 -4.92 113.62 114.28 1c3y n SER 11 Ca 0.00 -1.04 -0.01 0.00 -1.33 0.00 0.00 58.87 56.49 1c3y n SER 11 Cb 0.00 0.07 0.11 0.00 -0.75 0.00 0.00 64.21 63.64 1c3y n SER 11 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1c3y h ASP 12 N 0.10 0.69 0.00 -3.46 2.03 -2.00 -2.49 116.42 111.29 1c3y h ASP 12 Ca -0.05 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 1c3y h ASP 12 Cb 0.99 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.37 1c3y h ASP 12 CO -0.02 0.45 -1.26 0.00 -1.03 0.00 0.00 179.24 177.37 1c3y n ALA 13 N -2.35 2.41 0.70 4.15 0.00 -1.26 -4.50 120.51 119.67 1c3y n ALA 13 Ca 0.10 -0.21 0.11 0.00 0.00 0.00 0.00 53.44 53.44 1c3y n ALA 13 Cb 0.16 -0.29 0.47 0.00 0.00 0.00 0.00 19.45 19.78 1c3y n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c3y h LYS 15 N 0.00 0.00 0.16 0.00 3.64 -1.61 -1.59 116.57 117.17 1c3y h LYS 15 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1c3y h LYS 15 Cb 0.42 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1c3y h LYS 15 CO 0.00 0.57 -0.10 0.00 -2.27 0.00 0.00 179.45 177.65 1c3y h ALA 16 N 1.43 -0.98 0.00 5.00 0.00 -1.81 -3.17 119.26 119.72 1c3y h ALA 16 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1c3y h ALA 16 Cb 1.31 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1c3y h ALA 16 CO 0.07 -0.97 -0.10 1.49 0.00 0.00 0.00 179.25 179.74 1c3y h GLU 17 N -0.24 0.00 -3.71 0.00 4.81 -1.75 -3.38 114.58 110.31 1c3y h GLU 17 Ca -0.02 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.60 1c3y h GLU 17 Cb 0.19 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.59 1c3y h GLU 17 CO 0.02 0.00 3.03 0.43 -0.73 0.00 0.00 179.01 181.77 1c3y n SER 18 N -4.29 5.14 -2.24 1.04 7.64 -0.60 -4.57 113.62 115.74 1c3y n SER 18 Ca -0.01 -2.61 -0.27 0.00 1.01 0.00 0.00 58.87 56.98 1c3y n SER 18 Cb 0.05 -1.39 0.14 0.00 -1.01 0.00 0.00 64.21 62.00 1c3y n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c3y n GLY 19 N 3.98 4.95 3.58 0.23 0.00 -1.20 -4.16 105.19 112.56 1c3y n GLY 19 Ca 0.57 -1.51 -0.46 0.00 0.00 0.00 0.00 46.02 44.62 1c3y n GLY 19 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1c3y n VAL 20 N -1.01 0.39 -0.44 1.61 3.14 -1.26 -4.95 118.33 115.81 1c3y n VAL 20 Ca 0.59 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.68 1c3y n VAL 20 Cb 1.27 -2.13 0.00 0.00 -1.06 0.00 0.00 33.84 31.92 1c3y n VAL 20 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1c3y n SER 21 N 9.70 -1.08 0.00 6.55 3.41 -1.26 -4.84 113.62 126.10 1c3y n SER 21 Ca 0.31 -0.44 0.07 0.00 -0.26 0.00 0.00 58.87 58.56 1c3y n SER 21 Cb 0.35 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.64 1c3y n SER 21 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1c3y n GLU 22 N -1.51 0.03 0.37 4.33 4.71 -1.26 -3.38 120.64 123.93 1c3y n GLU 22 Ca 0.00 0.22 -0.18 0.00 -0.01 0.00 0.00 57.16 57.19 1c3y n GLU 22 Cb 0.00 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 28.84 1c3y n GLU 22 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1c3y h GLU 23 N 0.00 -1.03 -0.31 3.49 4.57 -1.98 0.84 114.58 120.16 1c3y h GLU 23 Ca 0.00 0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 58.08 1c3y h GLU 23 Cb 0.25 0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1c3y h GLU 23 CO 0.00 -0.69 -0.48 0.77 -1.18 0.00 0.00 179.01 177.43 1c3y h SER 24 N -1.07 0.91 -0.22 1.04 0.02 -1.92 -2.26 113.55 110.05 1c3y h SER 24 Ca -0.09 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1c3y h SER 24 Cb 0.87 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1c3y h SER 24 CO 0.07 1.24 0.13 -0.07 -1.14 0.00 0.00 176.83 177.06 1c3y h LEU 25 N 0.66 0.26 -1.35 5.07 3.38 -1.55 -2.07 115.31 119.69 1c3y h LEU 25 Ca 0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1c3y h LEU 25 Cb 1.07 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1c3y h LEU 25 CO 0.11 0.22 0.08 0.78 0.09 0.00 0.00 178.44 179.72 1c3y h ASN 26 N 0.27 0.47 0.10 -0.43 4.21 0.73 -1.24 115.58 119.68 1c3y h ASN 26 Ca 0.08 -0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.50 1c3y h ASN 26 Cb 0.01 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.09 1c3y h ASN 26 CO -0.01 0.48 -0.10 0.11 -1.29 0.00 0.00 177.43 176.62 1c3y h LYS 27 N 0.51 0.00 -0.81 0.81 1.57 -0.77 -1.97 116.57 115.90 1c3y h LYS 27 Ca 0.12 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1c3y h LYS 27 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1c3y h LYS 27 CO -0.00 0.10 0.48 0.28 -0.57 0.00 0.00 179.45 179.73 1c3y h VAL 28 N 0.00 1.23 -0.33 0.50 2.07 -0.65 -1.59 116.25 117.47 1c3y h VAL 28 Ca -0.00 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.06 1c3y h VAL 28 Cb 0.17 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1c3y h VAL 28 CO 0.01 0.25 0.23 0.03 0.02 0.00 0.00 177.57 178.11 1c3y h ARG 29 N 1.12 0.17 -6.10 1.57 2.47 -1.38 -3.41 114.38 108.82 1c3y h ARG 29 Ca 0.29 -0.01 -0.58 0.00 -1.26 0.00 0.00 59.98 58.42 1c3y h ARG 29 Cb -0.03 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.20 1c3y h ARG 29 CO -0.05 0.11 -0.07 -0.80 0.56 0.00 0.00 179.97 179.72 1c3y s ASN 30 N -6.61 6.96 -1.20 7.04 0.02 -0.60 -4.95 114.94 115.59 1c3y s ASN 30 Ca -0.06 1.14 -0.20 0.00 -1.02 0.00 0.00 52.86 52.71 1c3y s ASN 30 Cb 0.18 -2.34 0.01 0.00 0.02 0.00 0.00 41.25 39.13 1c3y s ASN 30 CO 0.71 0.20 1.78 -0.13 0.02 0.00 0.00 177.10 179.68 1c3y s ARG 31 N -0.63 3.37 0.00 -0.60 3.00 -1.26 -4.54 118.95 118.29 1c3y s ARG 31 Ca 0.28 -1.52 0.00 0.00 0.00 0.00 0.00 55.73 54.49 1c3y s ARG 31 Cb -0.18 -5.39 0.00 0.00 0.00 0.00 0.00 34.95 29.38 1c3y s ARG 31 CO 0.17 -2.88 0.00 0.39 0.00 0.00 0.00 175.30 172.98 1c3y n GLU 32 N 8.45 0.00 0.00 3.54 -0.58 -1.26 -5.13 120.64 125.66 1c3y n GLU 32 Ca 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 1c3y n GLU 32 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.34 1c3y n GLU 32 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1c3y n GLU 33 N -0.95 0.00 -1.63 3.49 0.00 -1.26 -5.16 120.64 115.13 1c3y n GLU 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1c3y n GLU 33 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1c3y n GLU 33 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1c3y n VAL 34 N 0.00 -3.69 -3.08 6.31 3.14 -1.26 -5.00 118.33 114.75 1c3y n VAL 34 Ca 0.00 1.70 -0.13 0.00 -2.96 0.00 0.00 64.34 62.95 1c3y n VAL 34 Cb 0.00 -2.27 -0.04 0.00 -1.06 0.00 0.00 33.84 30.47 1c3y n VAL 34 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1c3y s ASP 35 N -2.49 -0.12 0.19 6.55 1.01 -1.26 -5.11 116.67 115.44 1c3y s ASP 35 Ca 0.00 -2.13 0.07 0.00 0.71 0.00 0.00 52.55 51.20 1c3y s ASP 35 Cb 0.00 0.91 -0.04 0.00 1.01 0.00 0.00 42.92 44.80 1c3y s ASP 35 CO 0.00 -0.13 0.04 -1.81 0.21 0.00 0.00 175.17 173.48 1c3y s ASP 36 N 0.71 4.91 -0.03 0.27 1.11 -1.26 -5.06 116.67 117.31 1c3y s ASP 36 Ca 0.29 -0.39 -0.22 0.00 0.18 0.00 0.00 52.55 52.41 1c3y s ASP 36 Cb -0.01 -1.08 -0.16 0.00 1.07 0.00 0.00 42.92 42.74 1c3y s ASP 36 CO -0.10 0.06 0.96 1.55 1.18 0.00 0.00 175.17 178.82 1c3y h PRO 37 N 2.42 -0.27 -0.46 8.23 0.13 -2.01 -2.92 132.00 137.12 1c3y h PRO 37 Ca -0.47 0.02 0.13 0.00 -0.87 0.00 0.00 66.00 64.81 1c3y h PRO 37 Cb 1.21 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1c3y h PRO 37 CO 0.59 0.11 0.33 0.87 -0.23 0.00 0.00 178.00 179.68 1c3y h LYS 38 N -0.84 0.01 0.35 0.86 1.57 -1.96 0.12 116.57 116.67 1c3y h LYS 38 Ca -0.03 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1c3y h LYS 38 Cb 0.51 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1c3y h LYS 38 CO 0.05 0.01 -0.17 1.25 -0.57 0.00 0.00 179.45 180.02 1c3y h LEU 39 N 0.01 -0.39 -0.93 2.94 6.46 -1.93 0.17 115.31 121.64 1c3y h LEU 39 Ca 0.22 -0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1c3y h LEU 39 Cb 0.86 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.86 1c3y h LEU 39 CO -0.01 -0.06 0.30 0.11 -0.62 0.00 0.00 178.44 178.17 1c3y h LYS 40 N -0.76 1.08 0.39 1.25 1.57 -1.17 -1.72 116.57 117.21 1c3y h LYS 40 Ca -0.05 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1c3y h LYS 40 Cb 0.51 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1c3y h LYS 40 CO 0.08 0.87 -0.19 0.93 -0.57 0.00 0.00 179.45 180.57 1c3y h GLU 41 N 1.06 -0.50 -0.88 3.15 4.39 -0.75 -2.87 114.58 118.17 1c3y h GLU 41 Ca 0.25 0.03 0.15 0.00 0.34 0.00 0.00 59.36 60.13 1c3y h GLU 41 Cb 0.19 0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 28.86 1c3y h GLU 41 CO -0.02 -0.26 0.48 1.25 -1.16 0.00 0.00 179.01 179.30 1c3y h HIS 42 N -0.66 0.85 -0.64 4.33 2.76 -0.52 -1.19 115.15 120.08 1c3y h HIS 42 Ca -0.05 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.25 1c3y h HIS 42 Cb 0.48 -0.24 -0.08 0.00 1.55 0.00 0.00 27.41 29.12 1c3y h HIS 42 CO -0.02 0.23 0.25 0.00 -1.30 0.00 0.00 177.93 177.09 1c3y h ALA 43 N 1.56 0.85 -0.84 5.26 0.00 -1.14 -0.46 119.26 124.49 1c3y h ALA 43 Ca 0.47 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.56 1c3y h ALA 43 Cb 0.64 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1c3y h ALA 43 CO -0.35 -0.18 0.55 0.35 0.00 0.00 0.00 179.25 179.63 1c3y h PHE 44 N 0.44 0.89 0.00 0.00 3.57 -1.01 0.18 116.94 121.02 1c3y h PHE 44 Ca 0.33 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 1c3y h PHE 44 Cb 0.41 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 1c3y h PHE 44 CO -0.16 0.43 -0.03 0.00 -2.23 0.00 0.00 178.31 176.32 1c3y n ILE 46 N -3.19 1.68 0.03 0.00 2.08 0.51 -2.89 119.36 117.58 1c3y n ILE 46 Ca -0.01 -0.37 -0.12 0.00 0.56 0.00 0.00 62.75 62.81 1c3y n ILE 46 Cb 0.23 -1.88 -0.07 0.00 -0.75 0.00 0.00 39.64 37.17 1c3y n ILE 46 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1c3y h LEU 47 N -0.41 -0.00 -0.25 1.39 3.38 -1.08 0.85 115.31 119.18 1c3y h LEU 47 Ca -0.39 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1c3y h LEU 47 Cb 1.71 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 1c3y h LEU 47 CO -0.05 0.00 0.05 0.50 0.09 0.00 0.00 178.44 179.03 1c3y h LYS 48 N 0.01 0.41 -0.65 1.13 3.64 -1.52 -1.92 116.57 117.67 1c3y h LYS 48 Ca 0.01 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.20 1c3y h LYS 48 Cb 0.01 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1c3y h LYS 48 CO -0.01 0.53 0.09 0.00 -2.27 0.00 0.00 179.45 177.79 1c3y h ARG 49 N 0.23 1.07 -0.05 1.90 2.47 -1.39 -2.45 114.38 116.17 1c3y h ARG 49 Ca 0.08 -0.29 0.01 0.00 -1.26 0.00 0.00 59.98 58.52 1c3y h ARG 49 Cb 0.31 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.51 1c3y h ARG 49 CO 0.00 0.99 0.04 0.00 0.56 0.00 0.00 179.97 181.56 1c3y h ALA 50 N 1.08 1.96 -0.04 0.04 0.00 0.87 -3.46 119.26 119.72 1c3y h ALA 50 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1c3y h ALA 50 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1c3y h ALA 50 CO 0.01 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1c3y n GLY 51 N -1.51 1.53 0.08 0.00 0.00 -0.92 -5.00 105.19 99.37 1c3y n GLY 51 Ca -0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 1c3y n GLY 51 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1c3y n PHE 52 N -1.47 0.00 -4.60 1.61 3.72 -0.76 -4.99 117.46 110.97 1c3y n PHE 52 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 1c3y n PHE 52 Cb 0.11 -0.73 -0.14 0.00 -0.94 0.00 0.00 39.48 37.77 1c3y n PHE 52 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1c3y s ILE 53 N -2.37 1.28 0.61 4.37 2.07 -1.16 -3.53 121.20 122.48 1c3y s ILE 53 Ca -0.14 -0.87 -0.00 0.00 -1.41 0.00 0.00 60.65 58.23 1c3y s ILE 53 Cb 0.05 -1.11 0.06 0.00 0.13 0.00 0.00 42.46 41.60 1c3y s ILE 53 CO 0.55 0.22 0.86 1.51 -1.91 0.00 0.00 174.94 176.16 1c3y s ASP 54 N -0.76 4.98 0.66 4.50 1.47 -1.26 -4.14 116.67 122.12 1c3y s ASP 54 Ca 0.05 -0.06 0.30 0.00 1.18 0.00 0.00 52.55 54.02 1c3y s ASP 54 Cb -0.07 -0.66 1.63 0.00 -0.34 0.00 0.00 42.92 43.48 1c3y s ASP 54 CO 0.00 -1.39 1.93 0.00 0.68 0.00 0.00 175.17 176.40 1c3y h ALA 55 N -0.16 1.42 0.00 2.11 0.00 -1.99 0.16 119.26 120.80 1c3y h ALA 55 Ca -0.41 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 1c3y h ALA 55 Cb 1.29 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1c3y h ALA 55 CO 0.50 -0.36 -1.43 1.03 0.00 0.00 0.00 179.25 178.99 1c3y h SER 56 N 0.00 0.00 0.00 0.00 0.87 -2.05 -3.49 113.55 108.88 1c3y h SER 56 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1c3y h SER 56 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1c3y h SER 56 CO -0.00 0.79 0.00 0.61 -0.53 0.00 0.00 176.83 177.70 1c3y n GLY 57 N 1.44 0.87 3.53 5.77 0.00 0.56 -4.85 105.19 112.52 1c3y n GLY 57 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1c3y n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c3y s GLU 58 N 0.26 3.39 -1.06 1.61 0.41 -1.26 -4.83 118.70 117.23 1c3y s GLU 58 Ca 0.00 -0.85 -0.24 0.00 -0.41 0.00 0.00 54.97 53.47 1c3y s GLU 58 Cb 0.00 -4.76 -0.16 0.00 -1.78 0.00 0.00 34.13 27.43 1c3y s GLU 58 CO 0.00 -2.09 1.97 1.97 -0.49 0.00 0.00 175.26 176.62 1c3y n PHE 59 N 8.66 1.93 -2.28 1.61 1.16 -1.26 -4.21 117.46 123.07 1c3y n PHE 59 Ca 0.17 -1.02 -0.34 0.00 -1.87 0.00 0.00 57.45 54.39 1c3y n PHE 59 Cb 0.49 -2.45 -0.04 0.00 -1.61 0.00 0.00 39.48 35.88 1c3y n PHE 59 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1c3y s GLN 60 N 7.06 3.09 0.20 3.97 -0.21 -1.23 -4.69 119.66 127.84 1c3y s GLN 60 Ca 0.72 -1.33 0.06 0.00 0.02 0.00 0.00 55.36 54.83 1c3y s GLN 60 Cb 0.00 -5.33 0.11 0.00 1.00 0.00 0.00 33.01 28.79 1c3y s GLN 60 CO 0.16 -3.19 1.46 -0.07 -2.12 0.00 0.00 175.29 171.54 1c3y h LEU 61 N 15.62 0.13 -1.66 2.90 3.38 -1.89 -2.99 115.31 130.80 1c3y h LEU 61 Ca 0.28 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1c3y h LEU 61 Cb 0.93 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1c3y h LEU 61 CO 1.32 0.85 0.06 0.44 0.09 0.00 0.00 178.44 181.20 1c3y h ASP 62 N 0.06 0.25 0.59 -0.43 3.32 -2.00 -0.25 116.42 117.96 1c3y h ASP 62 Ca -0.02 -0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.79 1c3y h ASP 62 Cb 1.36 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1c3y h ASP 62 CO 0.11 0.25 -1.00 0.45 -1.72 0.00 0.00 179.24 177.33 1c3y h HIS 63 N 0.28 0.38 0.57 4.55 3.86 -1.93 -2.89 115.15 119.96 1c3y h HIS 63 Ca 0.07 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 1c3y h HIS 63 Cb 0.10 -0.03 0.01 0.00 1.06 0.00 0.00 27.41 28.54 1c3y h HIS 63 CO 0.00 1.09 -0.27 0.82 0.86 0.00 0.00 177.93 180.43 1c3y h ILE 64 N 0.11 0.10 -0.63 2.45 2.04 -1.17 -2.15 117.51 118.27 1c3y h ILE 64 Ca -0.07 -0.44 0.12 0.00 1.00 0.00 0.00 64.86 65.47 1c3y h ILE 64 Cb 1.67 0.14 -0.09 0.00 -0.74 0.00 0.00 36.82 37.80 1c3y h ILE 64 CO 0.16 0.02 0.16 0.07 0.00 0.00 0.00 178.15 178.55 1c3y h LYS 65 N -1.16 0.28 -0.89 2.37 2.10 -1.21 0.11 116.57 118.17 1c3y h LYS 65 Ca -0.08 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.58 1c3y h LYS 65 Cb 0.61 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.83 1c3y h LYS 65 CO 0.13 0.19 0.59 1.15 -2.00 0.00 0.00 179.45 179.50 1c3y h THR 66 N 0.29 1.19 0.51 0.07 2.02 -1.56 0.59 112.91 116.02 1c3y h THR 66 Ca 0.33 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1c3y h THR 66 Cb 0.49 -0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1c3y h THR 66 CO -0.40 0.21 -0.25 0.11 0.37 0.00 0.00 175.52 175.56 1c3y h LYS 67 N 1.16 -0.66 0.00 6.66 1.79 -0.32 0.37 116.57 125.56 1c3y h LYS 67 Ca 0.34 0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.79 1c3y h LYS 67 Cb -0.06 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1c3y h LYS 67 CO -0.09 -0.37 -0.33 0.74 -1.08 0.00 0.00 179.45 178.32 1c3y h PHE 68 N -0.87 0.00 -0.01 -1.35 0.04 -1.07 -3.15 116.94 110.53 1c3y h PHE 68 Ca -0.07 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 1c3y h PHE 68 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 1c3y h PHE 68 CO -0.01 0.33 -0.13 0.87 -0.60 0.00 0.00 178.31 178.78 1c3y h LYS 69 N 0.00 0.11 -6.59 1.51 1.79 0.33 -3.41 116.57 110.30 1c3y h LYS 69 Ca -0.00 -0.10 -0.59 0.00 -2.18 0.00 0.00 60.65 57.78 1c3y h LYS 69 Cb 0.63 0.02 0.12 0.00 -1.58 0.00 0.00 32.23 31.43 1c3y h LYS 69 CO 0.04 0.80 0.19 -0.85 -1.08 0.00 0.00 179.45 178.56 1c3y n GLU 70 N -4.62 1.46 -1.34 3.15 0.28 0.13 -0.92 120.64 118.78 1c3y n GLU 70 Ca -0.09 0.52 -0.12 0.00 -0.16 0.00 0.00 57.16 57.31 1c3y n GLU 70 Cb 0.42 -2.01 -0.05 0.00 1.43 0.00 0.00 31.44 31.23 1c3y n GLU 70 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1c3y n ASN 71 N 0.82 -5.54 -4.76 -1.84 3.02 -1.26 -4.95 115.26 100.74 1c3y n ASN 71 Ca 0.09 0.29 -0.40 0.00 -0.03 0.00 0.00 54.58 54.53 1c3y n ASN 71 Cb 0.36 -4.06 -0.06 0.00 -0.61 0.00 0.00 39.78 35.41 1c3y n ASN 71 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1c3y s SER 72 N -2.47 7.43 -0.00 6.41 0.15 -0.09 -4.97 113.70 120.16 1c3y s SER 72 Ca 0.00 1.70 -0.19 0.00 0.70 0.00 0.00 55.95 58.16 1c3y s SER 72 Cb 0.00 -2.53 -0.28 0.00 -1.71 0.00 0.00 66.02 61.50 1c3y s SER 72 CO 0.00 0.15 1.02 -0.08 1.20 0.00 0.00 173.24 175.53 1c3y h GLU 73 N 4.55 0.42 -1.12 5.44 4.81 -1.92 -3.42 114.58 123.35 1c3y h GLU 73 Ca -0.46 -0.57 -0.38 0.00 -0.13 0.00 0.00 59.36 57.83 1c3y h GLU 73 Cb 1.21 0.19 -0.26 0.00 0.63 0.00 0.00 28.75 30.51 1c3y h GLU 73 CO 0.67 1.23 -0.77 0.72 -0.73 0.00 0.00 179.01 180.13 1c3y n HIS 74 N -4.08 -2.04 0.00 0.92 8.25 -1.26 -5.08 115.22 111.93 1c3y n HIS 74 Ca -0.13 -2.55 0.00 0.00 -0.26 0.00 0.00 57.72 54.79 1c3y n HIS 74 Cb 0.81 0.70 0.00 0.00 1.12 0.00 0.00 29.99 32.62 1c3y n HIS 74 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1c3y n PRO 75 N 1.84 0.00 -2.85 -0.41 -0.04 -1.26 -4.79 135.00 127.47 1c3y n PRO 75 Ca 0.17 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 1c3y n PRO 75 Cb 0.57 -0.25 -0.02 0.00 -0.04 0.00 0.00 33.50 33.76 1c3y n PRO 75 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1c3y n GLU 76 N 0.00 -2.45 0.00 0.54 0.28 -1.26 -4.43 120.64 113.32 1c3y n GLU 76 Ca 0.00 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1c3y n GLU 76 Cb 0.00 -4.37 0.00 0.00 1.43 0.00 0.00 31.44 28.50 1c3y n GLU 76 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1c3y n LYS 77 N -2.73 0.00 -0.19 3.44 4.76 -1.26 -4.89 118.16 117.29 1c3y n LYS 77 Ca 0.02 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.43 1c3y n LYS 77 Cb 0.47 -0.24 0.06 0.00 -1.84 0.00 0.00 35.03 33.48 1c3y n LYS 77 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1c3y h VAL 78 N 0.00 0.99 -0.33 -0.18 2.07 -1.97 0.22 116.25 117.06 1c3y h VAL 78 Ca 0.00 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.38 1c3y h VAL 78 Cb 0.00 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 1c3y h VAL 78 CO 0.00 0.11 -0.14 -2.24 0.02 0.00 0.00 177.57 175.33 1c3y h ASP 79 N 0.61 -0.47 -0.21 0.57 2.03 -1.91 0.86 116.42 117.90 1c3y h ASP 79 Ca 0.25 0.12 -0.15 0.00 -0.73 0.00 0.00 57.03 56.52 1c3y h ASP 79 Cb 0.11 0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.87 1c3y h ASP 79 CO -0.15 -0.17 -0.40 0.44 -1.03 0.00 0.00 179.24 177.93 1c3y h ASP 80 N -0.08 0.81 -0.05 4.15 3.32 -1.82 -2.78 116.42 119.97 1c3y h ASP 80 Ca 0.17 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 1c3y h ASP 80 Cb 0.33 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1c3y h ASP 80 CO -0.38 1.11 0.02 -0.07 -1.72 0.00 0.00 179.24 178.19 1c3y h LEU 81 N 0.62 0.07 -1.54 1.55 3.38 0.38 -2.63 115.31 117.14 1c3y h LEU 81 Ca 0.05 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1c3y h LEU 81 Cb 0.95 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1c3y h LEU 81 CO 0.09 0.24 0.38 0.58 0.09 0.00 0.00 178.44 179.82 1c3y h VAL 82 N -0.11 1.02 0.74 1.22 2.07 0.69 0.81 116.25 122.69 1c3y h VAL 82 Ca 0.02 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1c3y h VAL 82 Cb 0.20 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1c3y h VAL 82 CO -0.00 0.11 -0.36 0.00 0.02 0.00 0.00 177.57 177.34 1c3y h ALA 83 N 1.68 -1.19 0.00 1.67 0.00 -1.23 0.87 119.26 121.06 1c3y h ALA 83 Ca 0.24 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1c3y h ALA 83 Cb 0.21 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1c3y h ALA 83 CO -0.07 -1.12 -0.21 -0.22 0.00 0.00 0.00 179.25 177.63 1c3y h LYS 84 N -1.06 0.00 0.08 0.00 3.64 -1.27 -3.29 116.57 114.66 1c3y h LYS 84 Ca -0.10 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.01 1c3y h LYS 84 Cb 0.76 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1c3y h LYS 84 CO 0.17 0.21 -1.45 0.00 -2.27 0.00 0.00 179.45 176.11 1c3y n ALA 86 N -3.11 5.18 -1.80 0.00 0.00 0.30 -3.53 120.51 117.56 1c3y n ALA 86 Ca -0.28 -1.43 -0.41 0.00 0.00 0.00 0.00 53.44 51.31 1c3y n ALA 86 Cb 0.85 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 1c3y n ALA 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1c3y s VAL 87 N -1.21 2.26 -0.09 0.00 -7.23 -1.24 -4.89 120.40 108.00 1c3y s VAL 87 Ca 0.31 0.22 -0.29 0.00 -1.81 0.00 0.00 61.98 60.41 1c3y s VAL 87 Cb 0.21 -3.14 -0.05 0.00 0.56 0.00 0.00 36.38 33.95 1c3y s VAL 87 CO -0.04 0.04 1.76 -1.59 -0.31 0.00 0.00 175.10 174.95 1c3y s LYS 88 N -0.51 3.98 0.43 4.82 -2.85 -1.26 -4.82 119.74 119.53 1c3y s LYS 88 Ca 0.62 2.12 0.06 0.00 -1.00 0.00 0.00 55.97 57.77 1c3y s LYS 88 Cb -0.46 -4.07 0.07 0.00 -2.06 0.00 0.00 37.83 31.32 1c3y s LYS 88 CO 0.47 -1.09 0.60 1.63 0.10 0.00 0.00 175.35 177.05 1c3y n LYS 89 N 7.49 0.64 0.29 1.78 4.76 -1.26 -4.99 118.16 126.87 1c3y n LYS 89 Ca 0.19 -2.23 0.18 0.00 -2.87 0.00 0.00 58.31 53.58 1c3y n LYS 89 Cb 0.43 -0.21 0.83 0.00 -1.84 0.00 0.00 35.03 34.24 1c3y n LYS 89 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 1c3y h ASP 90 N 0.01 0.00 -5.25 4.39 2.03 -1.99 -3.45 116.42 112.16 1c3y h ASP 90 Ca -0.20 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.99 1c3y h ASP 90 Cb 0.90 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.27 1c3y h ASP 90 CO 0.28 0.02 -0.41 0.42 -1.03 0.00 0.00 179.24 178.52 1c3y s THR 91 N -3.85 0.11 -0.05 1.15 -4.23 -1.26 -5.08 115.64 102.42 1c3y s THR 91 Ca -0.01 -1.43 -0.25 0.00 -1.18 0.00 0.00 61.69 58.82 1c3y s THR 91 Cb 0.11 -1.70 -0.20 0.00 1.34 0.00 0.00 72.50 72.05 1c3y s THR 91 CO 0.52 -0.48 1.05 1.55 -0.54 0.00 0.00 174.62 176.72 1c3y h PRO 92 N 2.70 -0.08 -0.19 3.99 0.13 -1.88 -2.64 132.00 134.03 1c3y h PRO 92 Ca -0.33 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.86 1c3y h PRO 92 Cb 1.21 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1c3y h PRO 92 CO 0.54 0.47 0.19 -0.56 -0.23 0.00 0.00 178.00 178.40 1c3y h GLN 93 N -0.70 0.00 0.14 0.86 3.07 -1.94 -2.20 115.11 114.34 1c3y h GLN 93 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 1c3y h GLN 93 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.15 1c3y h GLN 93 CO 0.01 0.00 -0.07 1.25 0.09 0.00 0.00 178.83 180.11 1c3y h HIS 94 N 0.00 -0.18 -0.92 0.06 2.76 -1.84 -3.23 115.15 111.81 1c3y h HIS 94 Ca 0.09 -0.00 0.27 0.00 -2.20 0.00 0.00 60.37 58.52 1c3y h HIS 94 Cb 0.47 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.45 1c3y h HIS 94 CO 0.00 0.21 0.78 0.66 -1.30 0.00 0.00 177.93 178.28 1c3y h SER 95 N -0.95 0.00 -0.43 3.26 4.64 -1.03 0.62 113.55 119.66 1c3y h SER 95 Ca -0.02 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1c3y h SER 95 Cb 0.47 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 1c3y h SER 95 CO 0.03 0.00 0.20 -1.28 -0.87 0.00 0.00 176.83 174.91 1c3y h SER 96 N 0.00 0.26 -0.09 4.97 0.87 -1.43 0.76 113.55 118.89 1c3y h SER 96 Ca 0.44 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1c3y h SER 96 Cb 1.99 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.93 1c3y h SER 96 CO -0.00 0.19 0.04 0.00 -0.53 0.00 0.00 176.83 176.53 1c3y h ALA 97 N 1.25 0.10 -0.56 6.23 0.00 -1.00 0.21 119.26 125.49 1c3y h ALA 97 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1c3y h ALA 97 Cb 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1c3y h ALA 97 CO -0.16 -0.42 0.26 -0.44 0.00 0.00 0.00 179.25 178.50 1c3y h ASP 98 N 0.10 0.72 0.16 0.00 5.19 -1.42 -3.16 116.42 118.00 1c3y h ASP 98 Ca 0.03 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1c3y h ASP 98 Cb 0.00 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.33 1c3y h ASP 98 CO -0.02 0.62 -0.08 0.15 -3.12 0.00 0.00 179.24 176.79 1c3y h PHE 99 N 0.79 -0.20 -3.35 4.55 3.57 0.13 -3.36 116.94 119.07 1c3y h PHE 99 Ca 0.20 -0.00 -0.42 0.00 3.53 0.00 0.00 57.97 61.27 1c3y h PHE 99 Cb 0.11 0.07 0.20 0.00 2.79 0.00 0.00 35.95 39.11 1c3y h PHE 99 CO 0.01 -0.13 0.03 -0.06 -2.23 0.00 0.00 178.31 175.93 1c3y s PHE 100 N -3.45 1.02 0.00 0.41 0.08 -0.01 -3.71 117.98 112.32 1c3y s PHE 100 Ca -0.03 0.92 0.00 0.00 0.12 0.00 0.00 56.93 57.94 1c3y s PHE 100 Cb 0.00 -3.13 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 1c3y s PHE 100 CO 0.10 -3.93 0.00 1.63 -0.10 0.00 0.00 175.22 172.91 1c3y n LYS 101 N -4.91 0.00 -0.46 0.44 5.02 -1.26 -4.38 118.16 112.60 1c3y n LYS 101 Ca 0.06 0.00 0.40 0.00 -2.02 0.00 0.00 58.31 56.75 1c3y n LYS 101 Cb 0.57 0.00 0.75 0.00 -0.02 0.00 0.00 35.03 36.32 1c3y n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c3y n VAL 103 N -4.19 3.51 0.00 0.00 0.24 -1.25 -3.42 118.33 113.22 1c3y n VAL 103 Ca 0.33 -3.01 0.00 0.00 -2.04 0.00 0.00 64.34 59.61 1c3y n VAL 103 Cb 1.48 -1.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1c3y n VAL 103 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1c3y n HIS 104 N -0.62 -1.36 0.07 6.34 -0.00 0.19 -4.92 115.22 114.91 1c3y n HIS 104 Ca 0.57 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 58.20 1c3y n HIS 104 Cb 0.57 0.38 -0.12 0.00 -0.00 0.00 0.00 29.99 30.81 1c3y n HIS 104 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1c3y h ASP 105 N 0.00 0.07 -2.72 0.41 3.32 -1.49 -3.41 116.42 112.60 1c3y h ASP 105 Ca 0.00 -0.07 -0.66 0.00 0.02 0.00 0.00 57.03 56.32 1c3y h ASP 105 Cb 0.00 -0.02 -0.17 0.00 0.22 0.00 0.00 39.33 39.36 1c3y h ASP 105 CO 0.00 1.06 0.42 0.21 -1.72 0.00 0.00 179.24 179.21 1c3y s ASN 106 N -6.77 6.22 -0.01 6.45 3.04 -1.22 -5.00 114.94 117.65 1c3y s ASN 106 Ca 0.00 -1.23 0.02 0.00 0.04 0.00 0.00 52.86 51.69 1c3y s ASN 106 Cb 0.09 -2.38 -0.00 0.00 -1.54 0.00 0.00 41.25 37.42 1c3y s ASN 106 CO 0.83 -1.30 -0.07 -0.13 -3.04 0.00 0.00 177.10 173.39 1c3y s ARG 107 N 3.48 0.62 0.00 0.43 0.52 -1.26 -4.84 118.95 117.91 1c3y s ARG 107 Ca 0.19 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 1c3y s ARG 107 Cb -0.18 -0.60 0.00 0.00 0.52 0.00 0.00 34.95 34.68 1c3y s ARG 107 CO 0.07 0.14 0.00 -1.13 0.02 0.00 0.00 175.30 174.40