#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3y h THR 2 N 0.00 1.19 -4.15 2.62 2.02 -2.08 -3.46 112.91 109.06 1c3y h THR 2 Ca 0.00 -0.94 -0.45 0.00 0.77 0.00 0.00 66.41 65.79 1c3y h THR 2 Cb 0.00 1.80 0.14 0.00 -1.74 0.00 0.00 68.15 68.35 1c3y h THR 2 CO 0.00 0.23 0.34 -2.16 0.37 0.00 0.00 175.52 174.30 1c3y s PRO 3 N -4.45 0.83 0.84 6.66 0.04 -1.26 -5.02 135.00 132.64 1c3y s PRO 3 Ca -0.15 -0.02 -0.12 0.00 0.04 0.00 0.00 61.00 60.75 1c3y s PRO 3 Cb 0.02 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.83 1c3y s PRO 3 CO 0.64 -2.35 1.17 -0.98 0.04 0.00 0.00 177.00 175.52 1c3y s ARG 4 N -5.56 1.45 0.42 4.56 1.04 -1.26 -4.96 118.95 114.64 1c3y s ARG 4 Ca 0.68 1.63 -0.23 0.00 -1.04 0.00 0.00 55.73 56.76 1c3y s ARG 4 Cb -0.10 -1.77 -0.09 0.00 -2.04 0.00 0.00 34.95 30.96 1c3y s ARG 4 CO 0.53 -2.33 1.07 -2.00 -0.04 0.00 0.00 175.30 172.53 1c3y s GLU 5 N -4.39 4.04 -0.23 3.89 2.12 -1.26 -5.04 118.70 117.84 1c3y s GLU 5 Ca 0.70 1.53 -0.31 0.00 0.36 0.00 0.00 54.97 57.25 1c3y s GLU 5 Cb -0.25 -2.45 0.16 0.00 0.26 0.00 0.00 34.13 31.85 1c3y s GLU 5 CO 0.54 -0.25 1.22 0.21 -0.54 0.00 0.00 175.26 176.44 1c3y s LYS 6 N -2.64 0.27 -0.31 4.30 2.47 -1.26 -5.04 119.74 117.53 1c3y s LYS 6 Ca 0.60 0.03 0.07 0.00 -1.56 0.00 0.00 55.97 55.11 1c3y s LYS 6 Cb -0.22 0.13 0.46 0.00 -1.46 0.00 0.00 37.83 36.73 1c3y s LYS 6 CO 0.28 -0.09 1.33 1.28 0.16 0.00 0.00 175.35 178.31 1c3y n LEU 7 N 0.47 4.56 -4.46 5.43 4.32 -1.26 -5.06 117.00 121.00 1c3y n LEU 7 Ca -0.03 -4.34 -0.28 0.00 -0.02 0.00 0.00 56.01 51.34 1c3y n LEU 7 Cb 0.58 -0.50 0.26 0.00 -1.62 0.00 0.00 43.42 42.14 1c3y n LEU 7 CO 0.10 1.73 0.50 -0.75 -1.22 0.00 0.00 177.39 177.75 1c3y s LYS 8 N -3.48 -1.28 0.23 3.23 2.20 -1.26 -5.01 119.74 114.38 1c3y s LYS 8 Ca 0.48 0.73 -0.05 0.00 -0.36 0.00 0.00 55.97 56.77 1c3y s LYS 8 Cb 0.41 -1.52 -0.05 0.00 -1.51 0.00 0.00 37.83 35.16 1c3y s LYS 8 CO 0.00 -3.94 0.49 -0.65 -0.36 0.00 0.00 175.35 170.89 1c3y s GLN 9 N -4.51 3.64 -0.12 4.03 1.11 -1.26 -5.01 119.66 117.54 1c3y s GLN 9 Ca 0.69 -0.02 0.09 0.00 0.01 0.00 0.00 55.36 56.13 1c3y s GLN 9 Cb -0.24 -2.72 -0.14 0.00 -1.01 0.00 0.00 33.01 28.90 1c3y s GLN 9 CO 0.64 0.32 0.02 0.72 0.01 0.00 0.00 175.29 177.00 1c3y n HIS 10 N -0.52 0.00 -1.45 0.91 8.25 -1.26 -4.56 115.22 116.59 1c3y n HIS 10 Ca -0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.12 1c3y n HIS 10 Cb 0.53 -0.59 0.04 0.00 1.12 0.00 0.00 29.99 31.09 1c3y n HIS 10 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1c3y n SER 11 N -2.51 7.28 -0.26 0.41 7.64 -1.26 -4.63 113.62 120.29 1c3y n SER 11 Ca -0.21 -3.60 -0.04 0.00 1.01 0.00 0.00 58.87 56.04 1c3y n SER 11 Cb 0.88 -1.06 0.08 0.00 -1.01 0.00 0.00 64.21 63.10 1c3y n SER 11 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1c3y h ASP 12 N 2.35 0.80 0.27 6.43 2.03 -2.01 -1.21 116.42 125.08 1c3y h ASP 12 Ca 0.51 -0.01 -0.08 0.00 -0.73 0.00 0.00 57.03 56.73 1c3y h ASP 12 Cb 0.58 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.89 1c3y h ASP 12 CO 1.31 0.56 -0.33 0.00 -1.03 0.00 0.00 179.24 179.75 1c3y h ALA 13 N 1.30 1.34 0.00 4.15 0.00 -1.98 -2.18 119.26 121.89 1c3y h ALA 13 Ca 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1c3y h ALA 13 Cb -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1c3y h ALA 13 CO -0.09 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1c3y h LYS 15 N 0.00 0.00 0.28 0.00 3.64 -0.65 0.29 116.57 120.13 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 0.61 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1c3y h LYS 15 CO 0.00 0.30 -0.17 0.00 -2.27 0.00 0.00 179.45 177.31 1c3y h ALA 16 N 1.70 -1.03 0.00 5.00 0.00 -1.61 -3.31 119.26 120.01 1c3y h ALA 16 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1c3y h ALA 16 Cb 0.95 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1c3y h ALA 16 CO 0.04 -1.02 -0.06 1.49 0.00 0.00 0.00 179.25 179.70 1c3y h GLU 17 N -0.41 0.00 0.00 0.00 4.81 -1.76 -3.45 114.58 113.77 1c3y h GLU 17 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1c3y h GLU 17 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1c3y h GLU 17 CO 0.04 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.19 1c3y n SER 18 N -3.63 0.00 -2.07 1.04 3.41 -0.94 -4.85 113.62 106.58 1c3y n SER 18 Ca -0.01 0.07 -0.14 0.00 -0.26 0.00 0.00 58.87 58.53 1c3y n SER 18 Cb 0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 1c3y n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c3y n GLY 19 N 1.51 0.14 3.70 5.00 0.00 0.97 -4.85 105.19 111.65 1c3y n GLY 19 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.95 0.18 -1.59 1.61 3.14 -1.26 -4.88 118.33 112.58 1c3y n VAL 20 Ca -0.16 -0.03 -0.30 0.00 -2.96 0.00 0.00 64.34 60.90 1c3y n VAL 20 Cb 0.57 -2.02 -0.04 0.00 -1.06 0.00 0.00 33.84 31.29 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 4.75 6.70 -2.42 6.55 3.41 -1.26 -4.72 113.62 126.63 1c3y n SER 21 Ca 0.17 -3.32 -0.20 0.00 -0.26 0.00 0.00 58.87 55.26 1c3y n SER 21 Cb 0.35 -1.21 -0.01 0.00 -0.26 0.00 0.00 64.21 63.09 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 0.65 -1.82 -0.01 4.33 1.02 -1.26 -4.90 120.64 118.66 1c3y n GLU 22 Ca 0.50 0.97 -0.01 0.00 -0.02 0.00 0.00 57.16 58.60 1c3y n GLU 22 Cb 0.49 -5.64 -0.01 0.00 -0.02 0.00 0.00 31.44 26.26 1c3y n GLU 22 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1c3y h GLU 23 N -0.03 -0.08 -0.13 3.49 4.81 -1.98 -2.89 114.58 117.77 1c3y h GLU 23 Ca -0.48 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 58.61 1c3y h GLU 23 Cb 1.35 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1c3y h GLU 23 CO 0.56 -0.05 -0.53 0.77 -0.73 0.00 0.00 179.01 179.03 1c3y h SER 24 N -0.92 0.41 -0.82 1.04 0.02 -1.96 -3.00 113.55 108.31 1c3y h SER 24 Ca -0.01 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1c3y h SER 24 Cb 0.06 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1c3y h SER 24 CO 0.01 0.86 0.49 -0.07 -1.14 0.00 0.00 176.83 176.98 1c3y h LEU 25 N 0.29 1.00 -1.37 5.07 3.38 -1.96 -1.60 115.31 120.11 1c3y h LEU 25 Ca 0.01 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1c3y h LEU 25 Cb 1.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1c3y h LEU 25 CO 0.09 0.78 0.11 0.78 0.09 0.00 0.00 178.44 180.29 1c3y h ASN 26 N 1.14 0.49 0.27 -0.43 4.21 -1.37 -1.42 115.58 118.47 1c3y h ASN 26 Ca 0.30 -0.06 -0.06 0.00 1.21 0.00 0.00 56.30 57.69 1c3y h ASN 26 Cb -0.03 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.04 1c3y h ASN 26 CO -0.05 0.47 -0.28 0.11 -1.29 0.00 0.00 177.43 176.39 1c3y h LYS 27 N 0.53 0.02 -0.04 0.81 1.57 -1.27 -2.23 116.57 115.96 1c3y h LYS 27 Ca 0.13 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1c3y h LYS 27 Cb 0.17 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1c3y h LYS 27 CO -0.01 0.30 -0.01 0.28 -0.57 0.00 0.00 179.45 179.45 1c3y h VAL 28 N 0.02 1.03 -0.38 0.50 2.07 -1.00 -1.36 116.25 117.14 1c3y h VAL 28 Ca 0.00 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1c3y h VAL 28 Cb 0.51 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1c3y h VAL 28 CO 0.04 0.04 0.26 0.03 0.02 0.00 0.00 177.57 177.96 1c3y h ARG 29 N 0.05 0.19 -5.34 1.57 2.47 -1.43 -3.39 114.38 108.51 1c3y h ARG 29 Ca 0.01 -0.01 -0.61 0.00 -1.26 0.00 0.00 59.98 58.11 1c3y h ARG 29 Cb 0.05 -0.04 -0.13 0.00 -1.65 0.00 0.00 29.97 28.21 1c3y h ARG 29 CO 0.00 0.13 -0.13 -0.80 0.56 0.00 0.00 179.97 179.73 1c3y s ASN 30 N -6.53 6.40 -1.20 7.04 -0.87 -0.51 -4.99 114.94 114.29 1c3y s ASN 30 Ca -0.06 0.48 -0.21 0.00 -1.57 0.00 0.00 52.86 51.49 1c3y s ASN 30 Cb 0.19 -2.25 -0.01 0.00 -0.02 0.00 0.00 41.25 39.16 1c3y s ASN 30 CO 0.72 -0.19 1.81 -0.60 -2.57 0.00 0.00 177.10 176.27 1c3y s ARG 31 N 1.90 3.20 0.00 -0.60 3.52 -1.26 -4.31 118.95 121.40 1c3y s ARG 31 Ca 0.19 -1.43 0.00 0.00 -0.13 0.00 0.00 55.73 54.36 1c3y s ARG 31 Cb -0.15 -5.36 0.00 0.00 -1.56 0.00 0.00 34.95 27.88 1c3y s ARG 31 CO 0.09 -3.08 0.00 0.39 -0.81 0.00 0.00 175.30 171.89 1c3y n GLU 32 N 8.43 0.00 -3.65 5.12 -0.58 -1.26 -5.17 120.64 123.54 1c3y n GLU 32 Ca 0.45 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 57.16 1c3y n GLU 32 Cb 0.47 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.28 1c3y n GLU 32 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1c3y s GLU 33 N -0.61 0.07 -0.30 3.49 2.12 -1.26 -5.18 118.70 117.04 1c3y s GLU 33 Ca 0.00 0.06 -0.20 0.00 0.36 0.00 0.00 54.97 55.19 1c3y s GLU 33 Cb 0.00 0.03 0.20 0.00 0.26 0.00 0.00 34.13 34.62 1c3y s GLU 33 CO 0.00 -0.01 1.30 0.54 -0.54 0.00 0.00 175.26 176.55 1c3y s VAL 34 N -0.36 0.00 -0.47 3.70 0.11 -1.26 -4.96 120.40 117.17 1c3y s VAL 34 Ca 0.08 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.18 1c3y s VAL 34 Cb -0.03 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 34.00 1c3y s VAL 34 CO -0.13 0.00 0.55 -0.90 -3.33 0.00 0.00 175.10 171.30 1c3y n ASP 35 N 2.52 -2.05 -4.90 3.54 5.75 -1.26 -5.04 116.55 115.11 1c3y n ASP 35 Ca -0.14 -2.68 -0.34 0.00 -0.01 0.00 0.00 54.79 51.62 1c3y n ASP 35 Cb 0.57 0.67 -0.05 0.00 -1.03 0.00 0.00 41.12 41.28 1c3y n ASP 35 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1c3y s ASP 36 N 0.41 6.39 -0.04 -1.12 1.11 -1.26 -5.03 116.67 117.14 1c3y s ASP 36 Ca 0.31 0.39 -0.26 0.00 0.18 0.00 0.00 52.55 53.18 1c3y s ASP 36 Cb 0.03 -2.02 -0.21 0.00 1.07 0.00 0.00 42.92 41.79 1c3y s ASP 36 CO -0.12 0.26 1.17 1.55 1.18 0.00 0.00 175.17 179.21 1c3y h PRO 37 N 3.84 0.06 -0.60 8.23 0.13 -2.00 -3.16 132.00 138.49 1c3y h PRO 37 Ca -0.49 -0.04 0.15 0.00 -0.87 0.00 0.00 66.00 64.75 1c3y h PRO 37 Cb 1.19 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1c3y h PRO 37 CO 0.68 0.64 0.42 0.87 -0.23 0.00 0.00 178.00 180.38 1c3y h LYS 38 N -0.52 0.14 0.50 0.86 1.57 -1.90 0.18 116.57 117.42 1c3y h LYS 38 Ca -0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1c3y h LYS 38 Cb 0.64 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1c3y h LYS 38 CO 0.01 0.10 -0.24 1.25 -0.57 0.00 0.00 179.45 179.99 1c3y h LEU 39 N 0.15 -0.57 -0.82 2.94 6.46 -1.94 0.28 115.31 121.81 1c3y h LEU 39 Ca 0.29 -0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.95 1c3y h LEU 39 Cb 0.94 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.98 1c3y h LEU 39 CO -0.04 -0.25 0.38 0.11 -0.62 0.00 0.00 178.44 178.02 1c3y h LYS 40 N -0.92 1.18 0.04 1.25 1.57 -1.34 -2.04 116.57 116.32 1c3y h LYS 40 Ca -0.07 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1c3y h LYS 40 Cb 0.60 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1c3y h LYS 40 CO 0.11 0.92 -0.02 0.93 -0.57 0.00 0.00 179.45 180.82 1c3y h GLU 41 N 1.16 -0.05 -0.20 3.15 4.39 -0.64 -2.65 114.58 119.74 1c3y h GLU 41 Ca 0.28 0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.03 1c3y h GLU 41 Cb 0.13 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.74 1c3y h GLU 41 CO -0.03 0.11 -0.11 1.25 -1.16 0.00 0.00 179.01 179.06 1c3y h HIS 42 N -0.21 -0.28 -0.83 4.33 2.76 -0.26 -2.22 115.15 118.44 1c3y h HIS 42 Ca -0.01 0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.31 1c3y h HIS 42 Cb 0.19 0.15 -0.08 0.00 1.55 0.00 0.00 27.41 29.22 1c3y h HIS 42 CO -0.02 -0.17 0.44 0.00 -1.30 0.00 0.00 177.93 176.88 1c3y h ALA 43 N 1.06 1.22 -0.43 5.26 0.00 -1.33 -0.09 119.26 124.94 1c3y h ALA 43 Ca 0.11 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1c3y h ALA 43 Cb 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1c3y h ALA 43 CO -0.26 -0.02 0.29 0.35 0.00 0.00 0.00 179.25 179.61 1c3y h PHE 44 N 0.68 0.42 -0.51 0.00 3.57 -1.03 0.80 116.94 120.87 1c3y h PHE 44 Ca 0.43 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.85 1c3y h PHE 44 Cb 0.53 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1c3y h PHE 44 CO -0.08 0.24 -0.03 0.00 -2.23 0.00 0.00 178.31 176.22 1c3y h ILE 46 N 0.82 1.13 0.06 0.00 5.03 -1.03 -2.86 117.51 120.65 1c3y h ILE 46 Ca 0.15 -2.79 -0.00 0.00 -0.12 0.00 0.00 64.86 62.10 1c3y h ILE 46 Cb 0.52 2.52 0.00 0.00 -3.03 0.00 0.00 36.82 36.84 1c3y h ILE 46 CO 0.03 0.64 -0.03 -0.07 -0.68 0.00 0.00 178.15 178.04 1c3y h LEU 47 N 0.00 -0.07 -0.88 1.44 -0.00 0.79 0.86 115.31 117.45 1c3y h LEU 47 Ca -0.12 -0.04 -0.12 0.00 -0.00 0.00 0.00 57.88 57.61 1c3y h LEU 47 Cb 1.75 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 42.41 1c3y h LEU 47 CO 0.09 -0.01 -0.51 0.50 -0.00 0.00 0.00 178.44 178.52 1c3y h LYS 48 N -0.12 0.13 -0.06 1.13 3.64 -1.49 -1.15 116.57 118.64 1c3y h LYS 48 Ca -0.01 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 1c3y h LYS 48 Cb 0.10 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1c3y h LYS 48 CO 0.01 0.61 -0.18 0.00 -2.27 0.00 0.00 179.45 177.62 1c3y h ARG 49 N 0.10 0.23 -0.16 1.90 3.08 -1.22 -3.15 114.38 115.16 1c3y h ARG 49 Ca 0.00 -0.17 0.05 0.00 0.07 0.00 0.00 59.98 59.93 1c3y h ARG 49 Cb 0.94 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1c3y h ARG 49 CO 0.07 0.79 0.11 0.00 -1.07 0.00 0.00 179.97 179.87 1c3y h ALA 50 N 0.44 2.15 0.00 0.04 0.00 0.76 -3.46 119.26 119.19 1c3y h ALA 50 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1c3y h ALA 50 Cb 0.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1c3y h ALA 50 CO 0.04 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.51 1c3y n GLY 51 N -1.57 1.98 0.12 0.00 0.00 -1.06 -5.01 105.19 99.65 1c3y n GLY 51 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.91 0.56 -4.94 1.61 3.72 -0.46 -4.94 117.46 112.11 1c3y n PHE 52 Ca 0.00 0.14 -0.28 0.00 -0.05 0.00 0.00 57.45 57.26 1c3y n PHE 52 Cb 0.00 -1.08 -0.15 0.00 -0.94 0.00 0.00 39.48 37.31 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 -2.54 1.80 0.53 4.37 2.07 -1.15 -3.11 121.20 123.17 1c3y s ILE 53 Ca -0.22 -1.10 -0.02 0.00 -1.41 0.00 0.00 60.65 57.91 1c3y s ILE 53 Cb 0.08 -1.52 0.01 0.00 0.13 0.00 0.00 42.46 41.16 1c3y s ILE 53 CO 0.73 0.39 0.78 1.51 -1.91 0.00 0.00 174.94 176.44 1c3y s ASP 54 N -0.83 5.55 0.64 4.50 1.47 -1.19 -4.28 116.67 122.53 1c3y s ASP 54 Ca 0.09 0.34 0.31 0.00 1.18 0.00 0.00 52.55 54.47 1c3y s ASP 54 Cb -0.09 -1.38 1.70 0.00 -0.34 0.00 0.00 42.92 42.81 1c3y s ASP 54 CO 0.00 -0.97 2.00 0.00 0.68 0.00 0.00 175.17 176.88 1c3y h ALA 55 N 0.09 1.53 -0.31 2.11 0.00 -1.94 0.14 119.26 120.88 1c3y h ALA 55 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1c3y h ALA 55 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1c3y h ALA 55 CO 0.57 -0.36 0.00 0.45 0.00 0.00 0.00 179.25 179.91 1c3y n SER 56 N -3.21 2.89 -1.46 0.00 2.88 -1.26 -4.88 113.62 108.58 1c3y n SER 56 Ca 0.00 -2.31 -0.19 0.00 -1.33 0.00 0.00 58.87 55.04 1c3y n SER 56 Cb 0.39 -0.48 -0.08 0.00 -0.75 0.00 0.00 64.21 63.29 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 0.56 1.80 3.61 0.46 0.00 0.49 -4.92 105.19 107.18 1c3y n GLY 57 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.60 3.88 0.52 1.61 8.01 -1.25 -4.67 118.70 123.19 1c3y s GLU 58 Ca 0.00 0.57 -0.21 0.00 0.01 0.00 0.00 54.97 55.34 1c3y s GLU 58 Cb 0.00 -3.78 -0.06 0.00 -4.31 0.00 0.00 34.13 25.99 1c3y s GLU 58 CO 0.00 -0.85 1.20 -0.59 0.01 0.00 0.00 175.26 175.03 1c3y s PHE 59 N 3.27 2.64 -0.49 1.61 -0.12 -1.26 -3.20 117.98 120.42 1c3y s PHE 59 Ca 0.36 1.51 0.04 0.00 -0.05 0.00 0.00 56.93 58.79 1c3y s PHE 59 Cb -0.13 -3.45 0.17 0.00 -0.63 0.00 0.00 43.02 38.98 1c3y s PHE 59 CO 0.16 -1.89 0.37 -0.65 -0.05 0.00 0.00 175.22 173.16 1c3y s GLN 60 N -2.98 1.35 0.25 1.99 -0.21 -1.18 -4.95 119.66 113.92 1c3y s GLN 60 Ca 0.70 -2.42 0.03 0.00 0.02 0.00 0.00 55.36 53.69 1c3y s GLN 60 Cb -0.30 -2.03 0.30 0.00 1.00 0.00 0.00 33.01 31.99 1c3y s GLN 60 CO 0.35 -1.34 1.61 -0.07 -2.12 0.00 0.00 175.29 173.72 1c3y h LEU 61 N 5.69 0.37 -2.02 2.90 3.38 -1.95 -2.86 115.31 120.81 1c3y h LEU 61 Ca 0.21 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.13 1c3y h LEU 61 Cb 0.87 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1c3y h LEU 61 CO 0.47 0.80 0.33 -0.78 0.09 0.00 0.00 178.44 179.35 1c3y h ASP 62 N 0.27 0.00 0.61 -0.43 3.58 -1.98 0.17 116.42 118.64 1c3y h ASP 62 Ca 0.01 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.19 1c3y h ASP 62 Cb 0.96 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.98 1c3y h ASP 62 CO 0.08 0.00 -1.45 0.45 -2.88 0.00 0.00 179.24 175.44 1c3y h HIS 63 N 0.00 0.18 0.27 0.28 3.86 -1.91 -3.17 115.15 114.66 1c3y h HIS 63 Ca 0.21 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1c3y h HIS 63 Cb 0.87 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.33 1c3y h HIS 63 CO 0.00 1.16 -0.13 0.82 0.86 0.00 0.00 177.93 180.64 1c3y h ILE 64 N 0.03 0.75 -0.80 2.45 2.04 -0.68 -2.13 117.51 119.16 1c3y h ILE 64 Ca -0.19 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.06 1c3y h ILE 64 Cb 1.94 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 39.05 1c3y h ILE 64 CO 0.12 0.13 0.47 0.07 0.00 0.00 0.00 178.15 178.94 1c3y h LYS 65 N -0.74 0.80 0.20 2.37 2.10 -0.95 0.19 116.57 120.53 1c3y h LYS 65 Ca -0.04 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 1c3y h LYS 65 Cb 0.50 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1c3y h LYS 65 CO 0.06 0.53 -0.10 1.15 -2.00 0.00 0.00 179.45 179.09 1c3y h THR 66 N 0.83 0.80 -0.42 0.07 2.02 -1.56 0.35 112.91 115.00 1c3y h THR 66 Ca 0.36 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.51 1c3y h THR 66 Cb 0.25 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1c3y h THR 66 CO -0.20 0.00 0.22 0.11 0.37 0.00 0.00 175.52 176.02 1c3y h LYS 67 N -0.28 0.59 0.00 6.66 1.57 -0.97 -1.63 116.57 122.51 1c3y h LYS 67 Ca -0.03 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1c3y h LYS 67 Cb 0.22 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1c3y h LYS 67 CO 0.05 0.49 -0.21 0.74 -0.57 0.00 0.00 179.45 179.95 1c3y h PHE 68 N 0.54 0.00 0.00 -1.35 -1.00 -0.47 -3.29 116.94 111.37 1c3y h PHE 68 Ca 0.15 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 1c3y h PHE 68 Cb 0.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.64 1c3y h PHE 68 CO -0.02 0.21 0.00 1.63 -1.61 0.00 0.00 178.31 178.53 1c3y n LYS 69 N -3.94 0.00 -1.62 1.51 5.02 0.12 -4.48 118.16 114.78 1c3y n LYS 69 Ca -0.02 0.50 -0.50 0.00 -2.02 0.00 0.00 58.31 56.27 1c3y n LYS 69 Cb 0.30 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 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 -1.99 1.71 -2.60 1.97 0.28 -0.68 -3.73 120.64 115.61 1c3y n GLU 70 Ca 0.00 0.59 -0.04 0.00 -0.16 0.00 0.00 57.16 57.55 1c3y n GLU 70 Cb 0.00 -2.56 -0.03 0.00 1.43 0.00 0.00 31.44 30.28 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 7.66 -3.06 -3.32 -1.84 4.13 -1.26 -4.89 115.26 112.67 1c3y n ASN 71 Ca 0.29 1.34 -0.08 0.00 1.68 0.00 0.00 54.58 57.81 1c3y n ASN 71 Cb 0.26 -5.17 0.01 0.00 -1.54 0.00 0.00 39.78 33.33 1c3y n ASN 71 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1c3y s SER 72 N -0.99 -0.10 0.12 6.41 0.15 -1.24 -4.90 113.70 113.14 1c3y s SER 72 Ca -0.18 -0.90 0.01 0.00 0.70 0.00 0.00 55.95 55.58 1c3y s SER 72 Cb 0.01 0.78 -0.18 0.00 -1.71 0.00 0.00 66.02 64.92 1c3y s SER 72 CO 0.77 -1.50 1.26 -0.08 1.20 0.00 0.00 173.24 174.89 1c3y h GLU 73 N 2.00 0.17 -1.46 5.44 4.81 -1.92 -3.40 114.58 120.22 1c3y h GLU 73 Ca -0.27 -0.25 -0.42 0.00 -0.13 0.00 0.00 59.36 58.29 1c3y h GLU 73 Cb 1.25 0.09 -0.29 0.00 0.63 0.00 0.00 28.75 30.43 1c3y h GLU 73 CO 0.33 1.07 -0.83 0.72 -0.73 0.00 0.00 179.01 179.58 1c3y n HIS 74 N -3.52 -1.81 -2.26 0.92 8.25 -1.26 -5.07 115.22 110.46 1c3y n HIS 74 Ca -0.04 -2.69 -0.33 0.00 -0.26 0.00 0.00 57.72 54.39 1c3y n HIS 74 Cb 0.93 0.57 -0.04 0.00 1.12 0.00 0.00 29.99 32.57 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 -0.07 3.03 0.00 -0.41 0.04 -1.26 -3.42 135.00 132.90 1c3y s PRO 75 Ca 0.33 -1.01 0.00 0.00 0.04 0.00 0.00 61.00 60.35 1c3y s PRO 75 Cb 0.12 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1c3y s PRO 75 CO -0.15 -3.08 0.00 -0.85 0.04 0.00 0.00 177.00 172.96 1c3y n GLU 76 N 8.63 0.00 0.11 4.56 0.28 -1.26 -4.95 120.64 128.01 1c3y n GLU 76 Ca 0.41 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.53 1c3y n GLU 76 Cb 0.48 0.00 0.15 0.00 1.43 0.00 0.00 31.44 33.49 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 0.13 3.44 1.57 -2.00 -3.37 116.57 116.34 1c3y h LYS 77 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1c3y h LYS 77 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1c3y h LYS 77 CO 0.00 0.00 -0.12 0.28 -0.57 0.00 0.00 179.45 179.04 1c3y h VAL 78 N 0.00 0.73 -0.60 0.50 2.07 -1.93 0.35 116.25 117.36 1c3y h VAL 78 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1c3y h VAL 78 Cb 0.86 0.73 -0.09 0.00 -1.52 0.00 0.00 31.29 31.27 1c3y h VAL 78 CO 0.00 0.00 0.13 -2.24 0.02 0.00 0.00 177.57 175.48 1c3y h ASP 79 N -0.27 -0.00 0.06 0.57 3.04 -1.89 0.90 116.42 118.83 1c3y h ASP 79 Ca 0.00 0.11 -0.16 0.00 -3.24 0.00 0.00 57.03 53.75 1c3y h ASP 79 Cb 0.26 0.16 -0.01 0.00 -1.04 0.00 0.00 39.33 38.70 1c3y h ASP 79 CO -0.03 0.01 -0.54 0.44 -2.04 0.00 0.00 179.24 177.07 1c3y h ASP 80 N 0.26 0.57 -0.11 4.15 3.32 -1.70 -3.17 116.42 119.73 1c3y h ASP 80 Ca 0.32 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1c3y h ASP 80 Cb 0.47 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1c3y h ASP 80 CO -0.41 1.00 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.00 1c3y h LEU 81 N 0.40 0.23 -2.11 1.55 3.38 0.13 -3.00 115.31 115.89 1c3y h LEU 81 Ca 0.01 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 57.66 1c3y h LEU 81 Cb 1.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1c3y h LEU 81 CO 0.10 0.57 0.32 0.58 0.09 0.00 0.00 178.44 180.10 1c3y h VAL 82 N -0.11 0.39 0.04 1.22 2.07 0.73 0.34 116.25 120.93 1c3y h VAL 82 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1c3y h VAL 82 Cb 0.48 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1c3y h VAL 82 CO 0.01 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.59 1c3y h ALA 83 N 1.62 -0.80 0.00 1.67 0.00 -1.50 -1.17 119.26 119.08 1c3y h ALA 83 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1c3y h ALA 83 Cb 0.76 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1c3y h ALA 83 CO -0.00 -0.80 0.00 1.17 0.00 0.00 0.00 179.25 179.62 1c3y n LYS 84 N -2.17 0.13 -0.01 0.00 4.81 -1.12 -3.72 118.16 116.08 1c3y n LYS 84 Ca -0.01 0.16 -0.21 0.00 -0.87 0.00 0.00 58.31 57.38 1c3y n LYS 84 Cb 0.02 -1.66 -0.13 0.00 0.02 0.00 0.00 35.03 33.27 1c3y n LYS 84 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1c3y n ALA 86 N -3.04 7.18 -1.86 0.00 0.00 -0.44 -4.44 120.51 117.91 1c3y n ALA 86 Ca -0.27 -3.38 -0.43 0.00 0.00 0.00 0.00 53.44 49.36 1c3y n ALA 86 Cb 0.88 -3.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.28 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 1.02 3.32 -0.27 0.00 -7.23 -1.26 -4.90 120.40 111.08 1c3y s VAL 87 Ca 0.65 0.35 -0.28 0.00 -1.81 0.00 0.00 61.98 60.89 1c3y s VAL 87 Cb 0.21 -3.37 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 1c3y s VAL 87 CO -0.07 -0.20 1.98 -1.59 -0.31 0.00 0.00 175.10 174.91 1c3y s LYS 88 N 5.48 3.27 0.63 4.82 0.00 -1.26 -4.75 119.74 127.92 1c3y s LYS 88 Ca 0.86 1.71 0.07 0.00 0.00 0.00 0.00 55.97 58.60 1c3y s LYS 88 Cb -0.29 -4.27 0.11 0.00 0.00 0.00 0.00 37.83 33.38 1c3y s LYS 88 CO 0.34 -1.94 0.87 0.15 0.00 0.00 0.00 175.35 174.76 1c3y s LYS 89 N 5.92 2.07 0.07 1.78 1.02 -1.26 -5.03 119.74 124.31 1c3y s LYS 89 Ca 0.89 -1.53 -0.18 0.00 0.02 0.00 0.00 55.97 55.17 1c3y s LYS 89 Cb -0.27 -2.55 -0.10 0.00 -0.52 0.00 0.00 37.83 34.39 1c3y s LYS 89 CO 0.34 -1.08 1.43 0.38 -0.92 0.00 0.00 175.35 175.51 1c3y h ASP 90 N -0.06 0.52 -2.93 2.83 2.03 -2.01 -3.44 116.42 113.35 1c3y h ASP 90 Ca -0.31 -0.42 -0.62 0.00 -0.73 0.00 0.00 57.03 54.96 1c3y h ASP 90 Cb 1.28 -0.14 -0.05 0.00 -0.83 0.00 0.00 39.33 39.59 1c3y h ASP 90 CO 0.40 0.82 -0.40 0.42 -1.03 0.00 0.00 179.24 179.44 1c3y s THR 91 N -4.57 5.31 0.01 1.15 -4.23 -1.26 -5.02 115.64 107.03 1c3y s THR 91 Ca -0.13 0.03 -0.22 0.00 -1.18 0.00 0.00 61.69 60.19 1c3y s THR 91 Cb 0.07 -3.58 -0.18 0.00 1.34 0.00 0.00 72.50 70.15 1c3y s THR 91 CO 0.77 0.28 1.24 1.55 -0.54 0.00 0.00 174.62 177.92 1c3y h PRO 92 N 3.67 0.27 -0.05 3.99 0.13 -1.85 -2.94 132.00 135.22 1c3y h PRO 92 Ca -0.49 -0.18 0.02 0.00 -0.87 0.00 0.00 66.00 64.48 1c3y h PRO 92 Cb 1.19 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1c3y h PRO 92 CO 0.69 0.78 0.07 -0.56 -0.23 0.00 0.00 178.00 178.75 1c3y h GLN 93 N -0.20 0.00 0.35 0.86 -0.00 -1.95 -1.99 115.11 112.17 1c3y h GLN 93 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 1c3y h GLN 93 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.27 1c3y h GLN 93 CO 0.04 0.00 -0.17 1.25 -0.00 0.00 0.00 178.83 179.95 1c3y h HIS 94 N 0.00 -0.43 -0.84 0.06 2.76 -1.85 -3.17 115.15 111.68 1c3y h HIS 94 Ca 0.02 -0.01 0.24 0.00 -2.20 0.00 0.00 60.37 58.43 1c3y h HIS 94 Cb 0.17 0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 1c3y h HIS 94 CO 0.00 -0.27 0.74 0.66 -1.30 0.00 0.00 177.93 177.76 1c3y h SER 95 N -0.90 0.00 0.23 3.26 4.64 -1.30 -0.99 113.55 118.50 1c3y h SER 95 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1c3y h SER 95 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1c3y h SER 95 CO 0.08 0.00 -0.25 0.28 -0.87 0.00 0.00 176.83 176.07 1c3y h SER 96 N 0.00 -0.68 -0.34 4.97 0.02 -1.34 -1.72 113.55 114.45 1c3y h SER 96 Ca 0.40 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1c3y h SER 96 Cb 1.88 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 64.64 1c3y h SER 96 CO -0.00 -0.36 0.23 0.00 -1.14 0.00 0.00 176.83 175.55 1c3y h ALA 97 N 0.14 1.76 -0.65 3.77 0.00 -1.23 -1.96 119.26 121.08 1c3y h ALA 97 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1c3y h ALA 97 Cb 0.50 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1c3y h ALA 97 CO -0.07 0.23 0.37 -0.44 0.00 0.00 0.00 179.25 179.34 1c3y h ASP 98 N 0.46 0.81 0.11 0.00 3.32 -1.27 -2.94 116.42 116.91 1c3y h ASP 98 Ca 0.13 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1c3y h ASP 98 Cb -0.05 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1c3y h ASP 98 CO -0.03 0.66 -0.05 -0.26 -1.72 0.00 0.00 179.24 177.84 1c3y h PHE 99 N 0.89 -0.13 -0.86 4.55 0.04 -0.57 -2.75 116.94 118.11 1c3y h PHE 99 Ca 0.23 -0.00 -0.74 0.00 2.80 0.00 0.00 57.97 60.26 1c3y h PHE 99 Cb 0.02 0.04 -0.11 0.00 2.20 0.00 0.00 35.95 38.11 1c3y h PHE 99 CO -0.01 0.03 2.47 0.34 -0.60 0.00 0.00 178.31 180.54 1c3y n PHE 100 N -5.09 3.11 0.01 -0.55 -0.00 -1.01 -3.93 117.46 110.00 1c3y n PHE 100 Ca -0.08 -2.86 0.00 0.00 -0.00 0.00 0.00 57.45 54.51 1c3y n PHE 100 Cb 0.13 -2.17 0.00 0.00 -0.00 0.00 0.00 39.48 37.45 1c3y n PHE 100 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1c3y n LYS 101 N 4.57 0.00 0.11 -4.13 4.81 -1.23 -4.88 118.16 117.41 1c3y n LYS 101 Ca 0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.76 1c3y n LYS 101 Cb 0.37 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.35 1c3y n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1c3y h VAL 103 N -0.56 0.54 0.00 0.00 -1.51 -1.83 -3.02 116.25 109.88 1c3y h VAL 103 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.50 1c3y h VAL 103 Cb 0.60 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 1c3y h VAL 103 CO -0.21 0.00 -0.14 0.45 -1.23 0.00 0.00 177.57 176.44 1c3y h HIS 104 N 0.00 0.00 -2.71 5.19 -0.00 -1.38 -3.41 115.15 112.84 1c3y h HIS 104 Ca 0.03 0.00 -0.75 0.00 -0.00 0.00 0.00 60.37 59.65 1c3y h HIS 104 Cb 0.17 0.00 -0.21 0.00 -0.00 0.00 0.00 27.41 27.37 1c3y h HIS 104 CO 0.00 0.00 0.92 -0.51 -0.00 0.00 0.00 177.93 178.34 1c3y s ASP 105 N -5.49 7.03 0.37 2.45 1.11 0.29 -5.01 116.67 117.42 1c3y s ASP 105 Ca -0.04 -2.96 -0.03 0.00 0.18 0.00 0.00 52.55 49.70 1c3y s ASP 105 Cb 0.01 -2.33 -0.04 0.00 1.07 0.00 0.00 42.92 41.62 1c3y s ASP 105 CO 0.06 -0.67 0.63 0.54 1.18 0.00 0.00 175.17 176.91 1c3y s ASN 106 N 2.53 6.34 -0.07 0.27 2.20 -1.20 -4.69 114.94 120.31 1c3y s ASN 106 Ca 0.36 0.69 -0.06 0.00 -0.94 0.00 0.00 52.86 52.91 1c3y s ASN 106 Cb -0.06 -2.14 0.02 0.00 -2.00 0.00 0.00 41.25 37.08 1c3y s ASN 106 CO -0.04 -0.36 0.11 -1.14 -2.94 0.00 0.00 177.10 172.73 1c3y n ARG 107 N -1.68 -4.87 -0.52 3.55 0.63 -1.26 -5.15 116.66 107.35 1c3y n ARG 107 Ca -0.02 3.60 0.00 0.00 -0.92 0.00 0.00 57.85 60.51 1c3y n ARG 107 Cb 0.55 -4.82 0.00 0.00 0.45 0.00 0.00 32.46 28.64 1c3y n ARG 107 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57