#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 -0.11 -1.93 2.62 -1.04 -1.26 -5.15 114.28 107.40 1c3y n THR 2 Ca 0.00 -1.72 -0.33 0.00 -2.04 0.00 0.00 64.05 59.96 1c3y n THR 2 Cb 0.00 0.94 0.02 0.00 -1.82 0.00 0.00 70.33 69.47 1c3y n THR 2 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1c3y s PRO 3 N 0.52 3.17 -0.12 -2.82 0.04 -1.26 -4.99 135.00 129.54 1c3y s PRO 3 Ca 0.32 1.21 0.15 0.00 0.04 0.00 0.00 61.00 62.72 1c3y s PRO 3 Cb 0.17 -2.01 0.29 0.00 0.04 0.00 0.00 34.50 32.99 1c3y s PRO 3 CO -0.19 -0.93 1.15 -2.13 0.04 0.00 0.00 177.00 174.93 1c3y n ARG 4 N -2.24 1.12 -2.73 4.56 0.63 -1.26 -5.06 116.66 111.68 1c3y n ARG 4 Ca 0.09 -2.50 -0.03 0.00 -0.92 0.00 0.00 57.85 54.48 1c3y n ARG 4 Cb 0.53 -1.32 -0.03 0.00 0.45 0.00 0.00 32.46 32.09 1c3y n ARG 4 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1c3y n GLU 5 N -1.09 -3.69 -3.58 -0.14 2.13 -1.26 -5.06 120.64 107.95 1c3y n GLU 5 Ca 0.14 2.88 0.02 0.00 0.66 0.00 0.00 57.16 60.86 1c3y n GLU 5 Cb 0.68 -4.32 -0.00 0.00 0.27 0.00 0.00 31.44 28.07 1c3y n GLU 5 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1c3y s LYS 6 N -0.80 0.11 -0.04 5.31 -2.85 -1.26 -5.12 119.74 115.08 1c3y s LYS 6 Ca -0.17 -0.06 -0.04 0.00 -1.00 0.00 0.00 55.97 54.70 1c3y s LYS 6 Cb 0.01 0.04 0.02 0.00 -2.06 0.00 0.00 37.83 35.84 1c3y s LYS 6 CO 0.64 -0.05 0.08 1.28 0.10 0.00 0.00 175.35 177.40 1c3y n LEU 7 N -0.43 -6.50 -0.08 2.77 4.77 -1.26 -4.98 117.00 111.29 1c3y n LEU 7 Ca -0.07 2.72 -0.14 0.00 -0.03 0.00 0.00 56.01 58.48 1c3y n LEU 7 Cb 0.63 -3.28 -0.09 0.00 -2.33 0.00 0.00 43.42 38.35 1c3y n LEU 7 CO 0.11 -3.32 -0.14 0.11 -1.33 0.00 0.00 177.39 172.82 1c3y h LYS 8 N 4.27 0.00 -6.45 3.23 1.79 -2.07 -3.47 116.57 113.87 1c3y h LYS 8 Ca -0.18 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.64 1c3y h LYS 8 Cb 0.41 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.92 1c3y h LYS 8 CO 0.00 0.70 -0.70 -1.14 -1.08 0.00 0.00 179.45 177.23 1c3y s GLN 9 N -2.19 2.30 0.04 3.15 2.00 -1.26 -5.12 119.66 118.59 1c3y s GLN 9 Ca -0.20 -0.98 -0.01 0.00 -2.00 0.00 0.00 55.36 52.17 1c3y s GLN 9 Cb 0.02 -2.39 0.00 0.00 0.80 0.00 0.00 33.01 31.45 1c3y s GLN 9 CO 0.48 0.51 0.07 1.58 -0.50 0.00 0.00 175.29 177.43 1c3y n HIS 10 N 0.52 -0.84 0.30 1.67 -0.00 -1.26 -5.01 115.22 110.59 1c3y n HIS 10 Ca -0.12 -0.25 0.10 0.00 0.46 0.00 0.00 57.72 57.91 1c3y n HIS 10 Cb 0.53 0.09 0.46 0.00 -0.12 0.00 0.00 29.99 30.94 1c3y n HIS 10 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1c3y n SER 11 N -1.60 0.50 -0.30 0.26 3.41 -1.26 -2.86 113.62 111.78 1c3y n SER 11 Ca -0.00 0.66 0.03 0.00 -0.26 0.00 0.00 58.87 59.30 1c3y n SER 11 Cb 0.07 -0.76 0.17 0.00 -0.26 0.00 0.00 64.21 63.43 1c3y n SER 11 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1c3y h ASP 12 N 0.00 0.72 -0.43 4.04 2.03 -1.98 0.88 116.42 121.68 1c3y h ASP 12 Ca 0.00 0.04 -0.13 0.00 -0.73 0.00 0.00 57.03 56.21 1c3y h ASP 12 Cb 0.20 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 1c3y h ASP 12 CO 0.00 0.42 -0.23 0.00 -1.03 0.00 0.00 179.24 178.40 1c3y h ALA 13 N 1.45 0.73 0.00 4.15 0.00 -1.96 -2.71 119.26 120.92 1c3y h ALA 13 Ca 0.40 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1c3y h ALA 13 Cb 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1c3y h ALA 13 CO -0.24 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1c3y h LYS 15 N 0.00 0.00 0.00 0.00 1.57 0.11 -2.13 116.57 116.11 1c3y h LYS 15 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1c3y h LYS 15 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1c3y h LYS 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1c3y n ALA 16 N -1.95 -0.41 -0.07 3.86 0.00 -1.16 -3.46 120.51 117.32 1c3y n ALA 16 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 1c3y n ALA 16 Cb 0.41 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 1c3y n ALA 16 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1c3y h GLU 17 N 0.00 0.00 -3.76 0.00 4.57 -1.78 -3.38 114.58 110.24 1c3y h GLU 17 Ca 0.00 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.58 1c3y h GLU 17 Cb 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1c3y h GLU 17 CO 0.00 0.46 2.96 0.43 -1.18 0.00 0.00 179.01 181.68 1c3y n SER 18 N -4.66 4.89 -2.49 1.04 7.64 -0.80 -4.66 113.62 114.59 1c3y n SER 18 Ca -0.08 -2.61 -0.32 0.00 1.01 0.00 0.00 58.87 56.87 1c3y n SER 18 Cb 0.28 -1.36 0.03 0.00 -1.01 0.00 0.00 64.21 62.15 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 4.01 5.11 0.34 0.23 0.00 -1.22 -4.25 105.19 109.41 1c3y n GLY 19 Ca 0.56 -2.06 0.16 0.00 0.00 0.00 0.00 46.02 44.68 1c3y n GLY 19 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c3y h VAL 20 N 1.56 0.81 -4.05 1.61 3.04 -1.83 -3.45 116.25 113.95 1c3y h VAL 20 Ca 0.49 0.00 -0.29 0.00 -1.01 0.00 0.00 66.70 65.90 1c3y h VAL 20 Cb 0.55 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 30.63 1c3y h VAL 20 CO 1.24 0.00 -0.38 -1.54 -1.01 0.00 0.00 177.57 175.88 1c3y n SER 21 N -4.42 -4.14 -2.23 3.17 3.41 -1.26 -0.03 113.62 108.11 1c3y n SER 21 Ca 0.06 0.07 -0.20 0.00 -0.26 0.00 0.00 58.87 58.53 1c3y n SER 21 Cb 0.45 -3.48 -0.03 0.00 -0.26 0.00 0.00 64.21 60.88 1c3y n SER 21 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1c3y n GLU 22 N -3.02 -1.67 -0.05 4.33 2.13 -1.26 -4.89 120.64 116.21 1c3y n GLU 22 Ca -0.13 1.03 -0.01 0.00 0.66 0.00 0.00 57.16 58.71 1c3y n GLU 22 Cb 0.61 -5.63 -0.00 0.00 0.27 0.00 0.00 31.44 26.69 1c3y n GLU 22 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1c3y h GLU 23 N 0.00 0.00 -0.12 5.31 4.81 -0.82 -3.13 114.58 120.64 1c3y h GLU 23 Ca -0.47 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.64 1c3y h GLU 23 Cb 1.35 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 1c3y h GLU 23 CO 0.58 0.00 -0.48 0.77 -0.73 0.00 0.00 179.01 179.14 1c3y h SER 24 N -0.90 0.33 -0.20 1.04 0.02 -1.91 -2.82 113.55 109.12 1c3y h SER 24 Ca 0.00 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1c3y h SER 24 Cb 0.07 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1c3y h SER 24 CO 0.00 0.76 0.11 -0.07 -1.14 0.00 0.00 176.83 176.50 1c3y h LEU 25 N 0.25 0.27 -0.24 5.07 3.38 -1.89 -2.31 115.31 119.83 1c3y h LEU 25 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1c3y h LEU 25 Cb 0.94 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1c3y h LEU 25 CO 0.08 0.23 0.07 -1.13 0.09 0.00 0.00 178.44 177.78 1c3y h ASN 26 N 0.31 0.36 -0.05 -0.43 -0.73 -1.43 -2.35 115.58 111.27 1c3y h ASN 26 Ca 0.08 -0.22 0.01 0.00 1.87 0.00 0.00 56.30 58.05 1c3y h ASN 26 Cb 0.03 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 38.52 1c3y h ASN 26 CO -0.01 0.48 0.06 0.11 -0.37 0.00 0.00 177.43 177.71 1c3y h LYS 27 N 0.23 0.00 0.00 6.67 1.57 -1.45 -0.48 116.57 123.11 1c3y h LYS 27 Ca 0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1c3y h LYS 27 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1c3y h LYS 27 CO -0.00 0.00 -0.04 0.28 -0.57 0.00 0.00 179.45 179.12 1c3y h VAL 28 N 0.00 0.85 -0.59 0.50 2.07 -1.21 -1.52 116.25 116.34 1c3y h VAL 28 Ca 0.02 -0.14 0.16 0.00 0.82 0.00 0.00 66.70 67.56 1c3y h VAL 28 Cb 0.15 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1c3y h VAL 28 CO -0.00 0.04 0.42 0.03 0.02 0.00 0.00 177.57 178.08 1c3y h ARG 29 N 0.00 0.07 -6.28 1.57 2.47 -1.17 -3.41 114.38 107.63 1c3y h ARG 29 Ca -0.00 -0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.23 1c3y h ARG 29 Cb 0.08 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 1c3y h ARG 29 CO 0.00 0.05 -0.35 -0.80 0.56 0.00 0.00 179.97 179.43 1c3y s ASN 30 N -6.13 6.32 -1.16 7.04 -0.87 -0.57 -4.98 114.94 114.59 1c3y s ASN 30 Ca -0.05 0.24 -0.16 0.00 -1.57 0.00 0.00 52.86 51.31 1c3y s ASN 30 Cb 0.20 -1.94 -0.05 0.00 -0.02 0.00 0.00 41.25 39.44 1c3y s ASN 30 CO 0.74 -0.12 2.16 0.54 -2.57 0.00 0.00 177.10 177.85 1c3y n ARG 31 N -1.33 2.33 -3.22 -0.60 3.00 -1.26 -4.67 116.66 110.92 1c3y n ARG 31 Ca -0.07 -2.19 -0.02 0.00 -0.01 0.00 0.00 57.85 55.56 1c3y n ARG 31 Cb 0.56 -3.05 -0.03 0.00 0.00 0.00 0.00 32.46 29.95 1c3y n ARG 31 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1c3y s GLU 32 N 3.84 0.50 0.18 5.56 8.01 -1.26 -5.14 118.70 130.38 1c3y s GLU 32 Ca 0.52 0.37 -0.30 0.00 0.01 0.00 0.00 54.97 55.57 1c3y s GLU 32 Cb 0.14 0.01 -0.08 0.00 -4.31 0.00 0.00 34.13 29.89 1c3y s GLU 32 CO -0.00 -1.04 1.15 -1.21 0.01 0.00 0.00 175.26 174.17 1c3y s GLU 33 N 2.70 4.54 -0.11 1.61 8.01 -1.26 -4.63 118.70 129.56 1c3y s GLU 33 Ca 0.10 1.79 0.07 0.00 0.01 0.00 0.00 54.97 56.95 1c3y s GLU 33 Cb -0.11 -3.26 -0.12 0.00 -4.31 0.00 0.00 34.13 26.33 1c3y s GLU 33 CO -0.28 -0.02 0.01 1.33 0.01 0.00 0.00 175.26 176.31 1c3y n VAL 34 N 2.49 0.71 -2.50 2.63 0.24 -1.26 -5.10 118.33 115.54 1c3y n VAL 34 Ca 0.04 -0.40 -0.05 0.00 -2.04 0.00 0.00 64.34 61.88 1c3y n VAL 34 Cb 0.45 -0.77 -0.04 0.00 -1.47 0.00 0.00 33.84 32.01 1c3y n VAL 34 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1c3y n ASP 35 N -2.48 -1.41 -4.23 -1.34 9.92 -1.26 -5.07 116.55 110.68 1c3y n ASP 35 Ca -0.18 1.34 -0.15 0.00 -0.53 0.00 0.00 54.79 55.27 1c3y n ASP 35 Cb 0.82 -5.05 -0.10 0.00 -0.64 0.00 0.00 41.12 36.14 1c3y n ASP 35 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1c3y s ASP 36 N -0.62 1.73 -0.04 -2.24 1.11 -1.26 -5.08 116.67 110.26 1c3y s ASP 36 Ca -0.25 -0.94 -0.22 0.00 0.18 0.00 0.00 52.55 51.33 1c3y s ASP 36 Cb 0.02 -0.01 -0.16 0.00 1.07 0.00 0.00 42.92 43.84 1c3y s ASP 36 CO 0.66 -0.29 0.93 1.55 1.18 0.00 0.00 175.17 179.21 1c3y h PRO 37 N 3.06 -0.25 -0.40 8.23 0.13 -2.00 -3.13 132.00 137.64 1c3y h PRO 37 Ca -0.37 0.02 0.12 0.00 -0.87 0.00 0.00 66.00 64.89 1c3y h PRO 37 Cb 1.19 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1c3y h PRO 37 CO 0.59 0.14 0.34 0.87 -0.23 0.00 0.00 178.00 179.71 1c3y h LYS 38 N -0.85 0.00 0.62 0.86 1.57 -1.94 0.21 116.57 117.04 1c3y h LYS 38 Ca -0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1c3y h LYS 38 Cb 0.52 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.83 1c3y h LYS 38 CO 0.04 0.00 -0.30 1.25 -0.57 0.00 0.00 179.45 179.88 1c3y h LEU 39 N 0.00 -0.70 -0.93 2.94 6.46 -1.94 0.32 115.31 121.46 1c3y h LEU 39 Ca 0.19 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.93 1c3y h LEU 39 Cb 0.86 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.94 1c3y h LEU 39 CO -0.00 -0.39 0.27 0.11 -0.62 0.00 0.00 178.44 177.81 1c3y h LYS 40 N -1.06 1.05 0.71 1.25 1.57 -1.40 -0.95 116.57 117.74 1c3y h LYS 40 Ca -0.08 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 1c3y h LYS 40 Cb 0.64 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.78 1c3y h LYS 40 CO 0.14 0.86 -0.34 0.93 -0.57 0.00 0.00 179.45 180.47 1c3y h GLU 41 N 1.02 -0.91 -0.97 3.15 4.39 -0.62 -2.86 114.58 117.78 1c3y h GLU 41 Ca 0.24 0.06 0.18 0.00 0.34 0.00 0.00 59.36 60.18 1c3y h GLU 41 Cb 0.21 0.21 -0.09 0.00 -0.10 0.00 0.00 28.75 28.98 1c3y h GLU 41 CO -0.02 -0.61 0.61 1.25 -1.16 0.00 0.00 179.01 179.08 1c3y h HIS 42 N -1.06 0.90 -0.43 4.33 2.76 -0.34 -1.31 115.15 120.00 1c3y h HIS 42 Ca -0.10 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.17 1c3y h HIS 42 Cb 0.73 -0.27 -0.06 0.00 1.55 0.00 0.00 27.41 29.35 1c3y h HIS 42 CO 0.04 0.24 0.07 0.00 -1.30 0.00 0.00 177.93 176.97 1c3y h ALA 43 N 1.62 0.46 -0.64 5.26 0.00 -1.07 -0.56 119.26 124.33 1c3y h ALA 43 Ca 0.53 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.63 1c3y h ALA 43 Cb 0.93 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1c3y h ALA 43 CO -0.29 -0.33 0.43 0.35 0.00 0.00 0.00 179.25 179.40 1c3y h PHE 44 N 0.19 0.52 0.00 0.00 3.57 -1.01 0.30 116.94 120.51 1c3y h PHE 44 Ca 0.21 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 1c3y h PHE 44 Cb 0.28 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1c3y h PHE 44 CO -0.23 0.25 -0.19 0.00 -2.23 0.00 0.00 178.31 175.91 1c3y h ILE 46 N 0.00 0.95 -0.32 0.00 1.08 -0.31 -2.95 117.51 115.96 1c3y h ILE 46 Ca -0.00 -2.60 -0.00 0.00 -0.39 0.00 0.00 64.86 61.86 1c3y h ILE 46 Cb 0.35 2.69 -0.02 0.00 -3.07 0.00 0.00 36.82 36.77 1c3y h ILE 46 CO 0.02 0.82 0.19 -0.07 -0.69 0.00 0.00 178.15 178.43 1c3y h LEU 47 N 0.08 0.38 0.04 1.44 -0.00 -0.21 0.89 115.31 117.92 1c3y h LEU 47 Ca -0.32 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 57.51 1c3y h LEU 47 Cb 2.05 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 42.61 1c3y h LEU 47 CO 0.15 0.32 -0.02 0.50 -0.00 0.00 0.00 178.44 179.39 1c3y h LYS 48 N 0.41 -0.05 -0.68 1.13 3.64 -1.16 -0.59 116.57 119.28 1c3y h LYS 48 Ca 0.11 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1c3y h LYS 48 Cb 0.01 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1c3y h LYS 48 CO -0.02 0.26 0.13 0.00 -2.27 0.00 0.00 179.45 177.55 1c3y h ARG 49 N -0.36 1.11 -0.06 1.90 3.08 -1.43 -2.48 114.38 116.14 1c3y h ARG 49 Ca -0.01 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 59.78 1c3y h ARG 49 Cb 0.33 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1c3y h ARG 49 CO 0.01 1.00 0.04 0.00 -1.07 0.00 0.00 179.97 179.95 1c3y h ALA 50 N 1.06 2.03 -0.01 0.04 0.00 0.84 -3.46 119.26 119.75 1c3y h ALA 50 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1c3y h ALA 50 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1c3y h ALA 50 CO 0.01 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.60 1c3y n GLY 51 N -1.54 1.61 0.11 0.00 0.00 -0.93 -5.00 105.19 99.43 1c3y n GLY 51 Ca -0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.60 0.02 -4.37 1.61 3.72 -0.27 -4.97 117.46 111.59 1c3y n PHE 52 Ca 0.00 0.01 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1c3y n PHE 52 Cb 0.11 -1.00 -0.13 0.00 -0.94 0.00 0.00 39.48 37.51 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 -2.50 1.17 0.28 4.37 2.07 -1.10 -3.35 121.20 122.14 1c3y s ILE 53 Ca -0.17 -1.04 -0.06 0.00 -1.41 0.00 0.00 60.65 57.97 1c3y s ILE 53 Cb 0.07 -1.06 -0.05 0.00 0.13 0.00 0.00 42.46 41.55 1c3y s ILE 53 CO 0.76 0.01 0.56 1.51 -1.91 0.00 0.00 174.94 175.87 1c3y s ASP 54 N -1.18 6.47 0.64 4.50 1.47 -1.23 -4.28 116.67 123.07 1c3y s ASP 54 Ca 0.02 0.75 0.29 0.00 1.18 0.00 0.00 52.55 54.79 1c3y s ASP 54 Cb -0.08 -2.16 1.56 0.00 -0.34 0.00 0.00 42.92 41.90 1c3y s ASP 54 CO 0.01 -0.18 1.90 0.00 0.68 0.00 0.00 175.17 177.58 1c3y h ALA 55 N 1.78 1.61 -0.35 2.11 0.00 -1.95 0.11 119.26 122.56 1c3y h ALA 55 Ca -0.47 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1c3y h ALA 55 Cb 1.19 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1c3y h ALA 55 CO 0.66 -0.45 0.07 0.45 0.00 0.00 0.00 179.25 179.98 1c3y n SER 56 N -3.16 3.52 -2.75 0.00 2.88 -1.26 -4.96 113.62 107.90 1c3y n SER 56 Ca 0.01 -2.57 -0.01 0.00 -1.33 0.00 0.00 58.87 54.96 1c3y n SER 56 Cb 0.47 -0.62 -0.01 0.00 -0.75 0.00 0.00 64.21 63.30 1c3y n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1c3y n GLY 57 N 0.19 -4.04 3.13 0.46 0.00 0.38 -5.05 105.19 100.25 1c3y n GLY 57 Ca 0.18 0.73 0.03 0.00 0.00 0.00 0.00 46.02 46.96 1c3y n GLY 57 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1c3y s GLU 58 N -1.31 0.55 0.51 1.61 2.12 -1.25 -4.95 118.70 115.99 1c3y s GLU 58 Ca -0.07 0.92 -0.21 0.00 0.36 0.00 0.00 54.97 55.97 1c3y s GLU 58 Cb 0.00 0.45 -0.06 0.00 0.26 0.00 0.00 34.13 34.78 1c3y s GLU 58 CO 0.70 -0.68 1.15 -0.59 -0.54 0.00 0.00 175.26 175.30 1c3y s PHE 59 N 2.83 2.74 -0.44 5.30 -0.12 -1.26 -3.49 117.98 123.54 1c3y s PHE 59 Ca 0.19 1.54 0.03 0.00 -0.05 0.00 0.00 56.93 58.64 1c3y s PHE 59 Cb -0.14 -3.33 0.15 0.00 -0.63 0.00 0.00 43.02 39.07 1c3y s PHE 59 CO -0.21 -1.57 0.30 -0.65 -0.05 0.00 0.00 175.22 173.03 1c3y s GLN 60 N -3.07 1.11 0.15 1.99 -1.52 -1.21 -4.96 119.66 112.15 1c3y s GLN 60 Ca 0.70 -2.02 -0.04 0.00 -1.95 0.00 0.00 55.36 52.05 1c3y s GLN 60 Cb -0.26 -1.89 -0.01 0.00 -0.22 0.00 0.00 33.01 30.63 1c3y s GLN 60 CO 0.30 -1.26 1.38 -0.07 -0.25 0.00 0.00 175.29 175.39 1c3y h LEU 61 N 6.28 0.55 -2.00 2.90 3.38 -1.95 -2.96 115.31 121.51 1c3y h LEU 61 Ca 0.12 -0.38 0.16 0.00 0.09 0.00 0.00 57.88 57.86 1c3y h LEU 61 Cb 0.91 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1c3y h LEU 61 CO 0.42 1.14 0.45 0.44 0.09 0.00 0.00 178.44 180.98 1c3y h ASP 62 N 0.29 0.00 0.48 -0.43 3.32 -1.99 0.37 116.42 118.46 1c3y h ASP 62 Ca -0.05 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.71 1c3y h ASP 62 Cb 1.39 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.91 1c3y h ASP 62 CO 0.14 0.00 -1.62 0.45 -1.72 0.00 0.00 179.24 176.49 1c3y h HIS 63 N 0.00 0.22 0.42 4.55 3.86 -1.95 -3.23 115.15 119.02 1c3y h HIS 63 Ca 0.26 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1c3y h HIS 63 Cb 1.15 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1c3y h HIS 63 CO 0.00 1.24 -0.20 0.82 0.86 0.00 0.00 177.93 180.65 1c3y h ILE 64 N 0.03 0.37 -0.73 2.45 2.04 -0.50 -2.63 117.51 118.54 1c3y h ILE 64 Ca -0.26 -0.59 0.13 0.00 1.00 0.00 0.00 64.86 65.14 1c3y h ILE 64 Cb 1.99 0.56 -0.09 0.00 -0.74 0.00 0.00 36.82 38.53 1c3y h ILE 64 CO 0.11 0.07 0.29 0.07 0.00 0.00 0.00 178.15 178.69 1c3y h LYS 65 N -1.00 0.43 -0.86 2.37 2.10 -0.61 0.12 116.57 119.11 1c3y h LYS 65 Ca -0.06 -0.03 0.05 0.00 -2.00 0.00 0.00 60.65 58.61 1c3y h LYS 65 Cb 0.55 -0.10 -0.06 0.00 -0.90 0.00 0.00 32.23 31.73 1c3y h LYS 65 CO 0.10 0.28 0.54 1.15 -2.00 0.00 0.00 179.45 179.52 1c3y h THR 66 N 0.44 1.09 -0.24 0.07 2.02 -1.60 0.71 112.91 115.40 1c3y h THR 66 Ca 0.39 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1c3y h THR 66 Cb 0.57 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1c3y h THR 66 CO -0.38 0.19 0.06 0.11 0.37 0.00 0.00 175.52 175.86 1c3y h LYS 67 N 1.02 0.39 -0.23 6.66 1.79 -0.65 0.37 116.57 125.92 1c3y h LYS 67 Ca 0.36 -0.09 -0.11 0.00 -2.18 0.00 0.00 60.65 58.63 1c3y h LYS 67 Cb 0.10 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1c3y h LYS 67 CO -0.15 0.49 -0.32 0.74 -1.08 0.00 0.00 179.45 179.14 1c3y h PHE 68 N 0.21 0.54 0.00 -1.35 0.04 -0.61 -3.35 116.94 112.42 1c3y h PHE 68 Ca 0.08 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1c3y h PHE 68 Cb 0.28 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1c3y h PHE 68 CO 0.01 0.74 0.00 1.63 -0.60 0.00 0.00 178.31 180.09 1c3y n LYS 69 N -4.08 0.00 0.00 1.51 5.02 0.24 -4.33 118.16 116.53 1c3y n LYS 69 Ca -0.01 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1c3y n LYS 69 Cb 0.45 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 1c3y n LYS 69 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1c3y n GLU 70 N -1.46 0.00 -3.80 1.97 0.28 0.13 0.10 120.64 117.86 1c3y n GLU 70 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 1c3y n GLU 70 Cb 0.00 0.00 0.02 0.00 1.43 0.00 0.00 31.44 32.89 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 0.00 -3.65 0.00 -1.84 4.13 -1.26 -4.95 115.26 107.69 1c3y n ASN 71 Ca 0.00 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.22 1c3y n ASN 71 Cb 0.00 -3.13 0.00 0.00 -1.54 0.00 0.00 39.78 35.11 1c3y n ASN 71 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1c3y n SER 72 N -2.72 0.00 0.00 6.41 7.64 0.29 -5.03 113.62 120.21 1c3y n SER 72 Ca -0.16 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1c3y n SER 72 Cb 0.62 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1c3y n SER 72 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1c3y n GLU 73 N -0.71 0.00 -3.05 1.43 0.28 -1.26 -5.00 120.64 112.33 1c3y n GLU 73 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 1c3y n GLU 73 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 1c3y n GLU 73 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1c3y n HIS 74 N -1.73 -0.80 -1.99 -1.84 8.25 -1.26 -5.10 115.22 110.74 1c3y n HIS 74 Ca 0.00 -3.28 -0.43 0.00 -0.26 0.00 0.00 57.72 53.75 1c3y n HIS 74 Cb 0.00 0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 1c3y n HIS 74 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1c3y s PRO 75 N -1.54 3.49 0.00 -0.41 0.04 -1.26 -4.19 135.00 131.13 1c3y s PRO 75 Ca 0.34 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1c3y s PRO 75 Cb 0.33 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.70 1c3y s PRO 75 CO -0.07 -1.67 0.00 -0.85 0.04 0.00 0.00 177.00 174.44 1c3y n GLU 76 N 8.20 0.00 0.08 4.56 0.28 -1.26 -4.95 120.64 127.55 1c3y n GLU 76 Ca 0.22 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.34 1c3y n GLU 76 Cb 0.46 0.00 0.07 0.00 1.43 0.00 0.00 31.44 33.40 1c3y n GLU 76 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1c3y h LYS 77 N 0.00 0.00 0.20 3.44 1.79 -2.02 -3.38 116.57 116.60 1c3y h LYS 77 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1c3y h LYS 77 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1c3y h LYS 77 CO 0.00 0.00 -0.17 0.28 -1.08 0.00 0.00 179.45 178.48 1c3y h VAL 78 N 0.00 0.63 -0.66 0.50 2.07 -1.92 0.21 116.25 117.08 1c3y h VAL 78 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1c3y h VAL 78 Cb 0.88 0.63 -0.10 0.00 -1.52 0.00 0.00 31.29 31.18 1c3y h VAL 78 CO 0.00 0.00 0.14 -2.24 0.02 0.00 0.00 177.57 175.49 1c3y h ASP 79 N -0.39 -0.00 -0.37 0.57 3.04 -1.92 0.85 116.42 118.21 1c3y h ASP 79 Ca -0.01 0.13 -0.09 0.00 -3.24 0.00 0.00 57.03 53.82 1c3y h ASP 79 Cb 0.35 0.17 -0.01 0.00 -1.04 0.00 0.00 39.33 38.80 1c3y h ASP 79 CO -0.02 -0.01 -0.10 0.44 -2.04 0.00 0.00 179.24 177.50 1c3y h ASP 80 N 0.26 0.74 -0.66 4.15 3.32 -1.69 -2.78 116.42 119.76 1c3y h ASP 80 Ca 0.35 -0.37 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 1c3y h ASP 80 Cb 0.56 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1c3y h ASP 80 CO -0.45 0.94 0.19 -0.07 -1.72 0.00 0.00 179.24 178.13 1c3y h LEU 81 N 0.53 0.97 -1.80 1.55 4.07 0.77 -2.43 115.31 118.97 1c3y h LEU 81 Ca 0.09 -0.22 0.01 0.00 0.08 0.00 0.00 57.88 57.85 1c3y h LEU 81 Cb 0.62 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1c3y h LEU 81 CO 0.04 0.93 0.16 0.58 -1.08 0.00 0.00 178.44 179.07 1c3y h VAL 82 N 0.96 1.03 0.51 1.22 2.07 0.76 0.34 116.25 123.15 1c3y h VAL 82 Ca 0.21 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 1c3y h VAL 82 Cb 0.32 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1c3y h VAL 82 CO -0.00 0.05 -0.25 0.00 0.02 0.00 0.00 177.57 177.39 1c3y h ALA 83 N 1.86 -1.15 0.00 1.67 0.00 -1.15 0.84 119.26 121.33 1c3y h ALA 83 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1c3y h ALA 83 Cb 0.05 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1c3y h ALA 83 CO -0.02 -1.10 -0.02 -0.22 0.00 0.00 0.00 179.25 177.90 1c3y h LYS 84 N -0.71 0.00 0.12 0.00 3.64 -1.49 -3.24 116.57 114.89 1c3y h LYS 84 Ca -0.07 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.97 1c3y h LYS 84 Cb 0.53 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1c3y h LYS 84 CO 0.12 0.02 -1.82 0.00 -2.27 0.00 0.00 179.45 175.50 1c3y n ALA 86 N -3.01 4.48 -1.73 0.00 0.00 0.29 -3.95 120.51 116.58 1c3y n ALA 86 Ca -0.30 -1.21 -0.42 0.00 0.00 0.00 0.00 53.44 51.52 1c3y n ALA 86 Cb 1.00 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 1c3y n ALA 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1c3y s VAL 87 N -1.59 2.30 -0.06 0.00 0.11 -1.23 -4.90 120.40 115.03 1c3y s VAL 87 Ca 0.23 0.06 -0.30 0.00 -2.93 0.00 0.00 61.98 59.04 1c3y s VAL 87 Cb 0.18 -3.04 -0.05 0.00 -1.53 0.00 0.00 36.38 31.94 1c3y s VAL 87 CO 0.01 0.00 1.60 -1.59 -3.33 0.00 0.00 175.10 171.79 1c3y s LYS 88 N 1.92 4.19 0.54 1.54 0.00 -1.26 -4.84 119.74 121.83 1c3y s LYS 88 Ca 0.77 2.13 0.07 0.00 0.00 0.00 0.00 55.97 58.95 1c3y s LYS 88 Cb -0.48 -3.92 0.09 0.00 0.00 0.00 0.00 37.83 33.53 1c3y s LYS 88 CO 0.34 -0.81 0.74 1.63 0.00 0.00 0.00 175.35 177.25 1c3y n LYS 89 N 6.90 0.52 -0.05 1.78 4.76 -1.26 -5.03 118.16 125.78 1c3y n LYS 89 Ca 0.17 -2.69 -0.12 0.00 -2.87 0.00 0.00 58.31 52.80 1c3y n LYS 89 Cb 0.43 -0.28 -0.06 0.00 -1.84 0.00 0.00 35.03 33.27 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 -0.03 0.27 -3.01 4.39 3.04 -2.00 -3.44 116.42 115.64 1c3y h ASP 90 Ca -0.25 -0.35 -0.61 0.00 -3.24 0.00 0.00 57.03 52.58 1c3y h ASP 90 Cb 1.10 -0.07 -0.05 0.00 -1.04 0.00 0.00 39.33 39.27 1c3y h ASP 90 CO 0.34 0.56 -0.33 0.42 -2.04 0.00 0.00 179.24 178.18 1c3y s THR 91 N -4.81 5.22 0.02 1.15 -4.23 -1.26 -5.02 115.64 106.71 1c3y s THR 91 Ca -0.14 0.21 -0.21 0.00 -1.18 0.00 0.00 61.69 60.36 1c3y s THR 91 Cb 0.05 -3.60 -0.16 0.00 1.34 0.00 0.00 72.50 70.13 1c3y s THR 91 CO 0.72 0.28 1.29 1.55 -0.54 0.00 0.00 174.62 177.91 1c3y h PRO 92 N 3.66 0.30 -0.05 3.99 0.13 -1.93 -2.94 132.00 135.15 1c3y h PRO 92 Ca -0.49 -0.18 0.01 0.00 -0.87 0.00 0.00 66.00 64.48 1c3y h PRO 92 Cb 1.19 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1c3y h PRO 92 CO 0.68 0.75 0.08 -0.56 -0.23 0.00 0.00 178.00 178.72 1c3y h GLN 93 N -0.13 0.00 -0.01 0.86 3.07 -1.95 -1.78 115.11 115.17 1c3y h GLN 93 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.72 1c3y h GLN 93 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.28 1c3y h GLN 93 CO 0.04 0.00 -0.10 1.25 0.09 0.00 0.00 178.83 180.10 1c3y h HIS 94 N 0.00 0.12 -0.89 0.06 2.76 -1.84 -3.19 115.15 112.18 1c3y h HIS 94 Ca 0.02 -0.06 0.26 0.00 -2.20 0.00 0.00 60.37 58.39 1c3y h HIS 94 Cb 0.19 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.10 1c3y h HIS 94 CO 0.00 0.80 0.78 0.66 -1.30 0.00 0.00 177.93 178.87 1c3y h SER 95 N -0.59 0.00 0.50 3.26 4.64 -1.16 -1.36 113.55 118.85 1c3y h SER 95 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1c3y h SER 95 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1c3y h SER 95 CO 0.02 0.00 -0.38 0.77 -0.87 0.00 0.00 176.83 176.37 1c3y h SER 96 N 0.00 -1.00 -0.29 4.97 4.64 -1.52 -1.91 113.55 118.43 1c3y h SER 96 Ca 0.42 0.07 0.02 0.00 -0.47 0.00 0.00 61.79 61.83 1c3y h SER 96 Cb 1.98 0.32 -0.02 0.00 -0.31 0.00 0.00 62.40 64.37 1c3y h SER 96 CO -0.00 -0.56 0.20 0.00 -0.87 0.00 0.00 176.83 175.59 1c3y h ALA 97 N -0.51 1.88 -0.93 5.18 0.00 -1.41 -1.66 119.26 121.81 1c3y h ALA 97 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1c3y h ALA 97 Cb 0.73 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1c3y h ALA 97 CO 0.00 0.08 0.60 -0.44 0.00 0.00 0.00 179.25 179.49 1c3y h ASP 98 N 0.32 1.09 0.33 0.00 3.32 -1.25 -3.19 116.42 117.04 1c3y h ASP 98 Ca 0.12 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1c3y h ASP 98 Cb 0.08 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1c3y h ASP 98 CO -0.03 0.81 -0.16 -0.26 -1.72 0.00 0.00 179.24 177.89 1c3y h PHE 99 N 1.27 -0.41 -3.23 4.55 0.04 -0.55 -3.39 116.94 115.22 1c3y h PHE 99 Ca 0.34 -0.01 -0.39 0.00 2.80 0.00 0.00 57.97 60.71 1c3y h PHE 99 Cb -0.11 0.14 0.21 0.00 2.20 0.00 0.00 35.95 38.38 1c3y h PHE 99 CO -0.00 -0.26 0.00 -0.06 -0.60 0.00 0.00 178.31 177.39 1c3y s PHE 100 N -3.73 -0.34 0.00 -0.55 0.08 -1.15 -3.90 117.98 108.39 1c3y s PHE 100 Ca -0.06 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.44 1c3y s PHE 100 Cb 0.01 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 1c3y s PHE 100 CO 0.19 -4.58 0.00 1.63 -0.10 0.00 0.00 175.22 172.37 1c3y n LYS 101 N -5.28 0.00 -0.18 0.44 4.76 -1.26 -4.42 118.16 112.22 1c3y n LYS 101 Ca 0.14 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.49 1c3y n LYS 101 Cb 0.60 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.74 1c3y n LYS 101 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1c3y h VAL 103 N -0.28 0.41 0.00 0.00 -1.51 -1.77 -2.83 116.25 110.27 1c3y h VAL 103 Ca 0.15 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.55 1c3y h VAL 103 Cb 0.57 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 1c3y h VAL 103 CO -0.65 0.00 -0.45 0.45 -1.23 0.00 0.00 177.57 175.69 1c3y h HIS 104 N 0.00 0.00 -0.83 5.19 -0.00 -0.41 -3.37 115.15 115.73 1c3y h HIS 104 Ca 0.01 0.00 -0.61 0.00 -0.00 0.00 0.00 60.37 59.77 1c3y h HIS 104 Cb 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 27.38 1c3y h HIS 104 CO 0.00 0.76 1.85 -3.47 -0.00 0.00 0.00 177.93 177.07 1c3y n ASP 105 N -4.60 7.49 -4.44 2.45 -0.08 0.29 -4.84 116.55 112.83 1c3y n ASP 105 Ca -0.14 -3.00 -0.44 0.00 -1.51 0.00 0.00 54.79 49.70 1c3y n ASP 105 Cb 0.40 -1.37 -0.01 0.00 2.34 0.00 0.00 41.12 42.49 1c3y n ASP 105 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1c3y s ASN 106 N 0.82 7.01 -0.41 1.67 4.22 -1.11 -4.85 114.94 122.27 1c3y s ASN 106 Ca 0.59 -2.88 0.01 0.00 -2.14 0.00 0.00 52.86 48.45 1c3y s ASN 106 Cb 0.25 -2.36 0.13 0.00 1.28 0.00 0.00 41.25 40.55 1c3y s ASN 106 CO -0.11 -0.73 0.22 -0.60 -2.04 0.00 0.00 177.10 173.83 1c3y s ARG 107 N 1.30 1.11 0.00 3.55 3.00 -1.26 -5.13 118.95 121.52 1c3y s ARG 107 Ca 0.38 -1.81 0.00 0.00 -1.00 0.00 0.00 55.73 53.30 1c3y s ARG 107 Cb -0.05 -2.14 0.00 0.00 0.00 0.00 0.00 34.95 32.76 1c3y s ARG 107 CO -0.04 -1.15 0.00 0.45 0.00 0.00 0.00 175.30 174.56