#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3y s THR 2 N 0.00 1.00 -0.60 2.62 2.01 -1.26 -5.05 115.64 114.37 1c3y s THR 2 Ca 0.00 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.20 1c3y s THR 2 Cb 0.00 -0.88 -0.10 0.00 0.01 0.00 0.00 72.50 71.53 1c3y s THR 2 CO 0.00 0.13 3.12 -0.81 -0.69 0.00 0.00 174.62 176.38 1c3y n PRO 3 N 2.36 2.76 0.00 4.92 -0.04 -1.26 -4.88 135.00 138.86 1c3y n PRO 3 Ca -0.16 -1.89 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1c3y n PRO 3 Cb 0.55 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 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 2.19 0.00 -4.02 0.54 5.12 -1.26 -4.66 116.66 114.57 1c3y n ARG 4 Ca 0.54 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 56.17 1c3y n ARG 4 Cb 0.61 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.85 1c3y n ARG 4 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1c3y s GLU 5 N 0.00 3.05 -0.40 5.56 2.56 -1.26 -5.06 118.70 123.16 1c3y s GLU 5 Ca 0.00 -0.69 0.09 0.00 0.00 0.00 0.00 54.97 54.37 1c3y s GLU 5 Cb 0.00 -2.79 0.30 0.00 2.00 0.00 0.00 34.13 33.64 1c3y s GLU 5 CO 0.00 0.54 0.71 0.36 -0.56 0.00 0.00 175.26 176.31 1c3y n LYS 6 N 0.06 0.86 0.00 4.30 2.85 -1.26 -5.01 118.16 119.96 1c3y n LYS 6 Ca -0.08 -3.01 0.00 0.00 -1.05 0.00 0.00 58.31 54.17 1c3y n LYS 6 Cb 0.53 -1.43 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 1c3y n LYS 6 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1c3y n LEU 7 N 0.82 0.00 -2.72 -5.58 4.77 -1.26 -4.73 117.00 108.30 1c3y n LEU 7 Ca 0.20 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.16 1c3y n LEU 7 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1c3y n LEU 7 CO 0.16 0.00 -0.37 1.17 -1.33 0.00 0.00 177.39 177.02 1c3y n LYS 8 N 0.00 -3.21 -3.64 3.23 4.81 -1.26 -5.06 118.16 113.03 1c3y n LYS 8 Ca 0.00 2.62 -0.06 0.00 -0.87 0.00 0.00 58.31 60.00 1c3y n LYS 8 Cb 0.00 -5.37 -0.07 0.00 0.02 0.00 0.00 35.03 29.61 1c3y n LYS 8 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1c3y s GLN 9 N -1.81 0.42 0.00 1.64 -0.21 -1.26 -4.95 119.66 113.49 1c3y s GLN 9 Ca 0.05 1.19 0.00 0.00 0.02 0.00 0.00 55.36 56.62 1c3y s GLN 9 Cb -0.01 0.53 0.00 0.00 1.00 0.00 0.00 33.01 34.52 1c3y s GLN 9 CO 0.77 -0.24 0.00 -2.39 -2.12 0.00 0.00 175.29 171.30 1c3y n HIS 10 N 5.41 -0.01 -2.74 0.91 1.44 -1.26 -4.98 115.22 114.00 1c3y n HIS 10 Ca -0.10 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.61 1c3y n HIS 10 Cb 0.49 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.65 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 -0.66 1.63 -0.30 4.39 2.88 -1.26 -4.85 113.62 115.44 1c3y n SER 11 Ca 0.00 -2.11 0.00 0.00 -1.33 0.00 0.00 58.87 55.43 1c3y n SER 11 Cb 0.00 -0.44 0.13 0.00 -0.75 0.00 0.00 64.21 63.15 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 2.31 0.81 0.10 -3.46 2.03 -1.93 0.36 116.42 116.64 1c3y h ASP 12 Ca -0.13 0.02 -0.31 0.00 -0.73 0.00 0.00 57.03 55.88 1c3y h ASP 12 Cb 1.38 -0.15 -0.06 0.00 -0.83 0.00 0.00 39.33 39.67 1c3y h ASP 12 CO 0.19 0.52 -2.21 0.00 -1.03 0.00 0.00 179.24 176.71 1c3y n ALA 13 N -2.35 1.66 0.61 4.15 0.00 -1.26 -4.20 120.51 119.13 1c3y n ALA 13 Ca 0.12 -1.14 0.12 0.00 0.00 0.00 0.00 53.44 52.54 1c3y n ALA 13 Cb 0.17 -0.37 0.46 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.02 0.00 1.57 -0.44 0.52 116.57 118.19 1c3y h LYS 15 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1c3y h LYS 15 Cb 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1c3y h LYS 15 CO 0.00 0.07 0.13 0.00 -0.57 0.00 0.00 179.45 179.08 1c3y h ALA 16 N 1.93 1.22 0.00 3.86 0.00 -1.76 -3.39 119.26 121.12 1c3y h ALA 16 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1c3y h ALA 16 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1c3y h ALA 16 CO 0.01 -0.14 0.00 -1.91 0.00 0.00 0.00 179.25 177.21 1c3y n GLU 17 N -3.13 0.00 -1.26 0.00 2.13 -1.19 -4.97 120.64 112.22 1c3y n GLU 17 Ca -0.02 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.43 1c3y n GLU 17 Cb 0.20 -0.04 -0.02 0.00 0.27 0.00 0.00 31.44 31.84 1c3y n GLU 17 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1c3y n SER 18 N -2.14 5.05 -0.04 4.31 7.64 0.18 -4.35 113.62 124.27 1c3y n SER 18 Ca 0.00 -2.61 -0.20 0.00 1.01 0.00 0.00 58.87 57.07 1c3y n SER 18 Cb 0.00 -1.38 -0.13 0.00 -1.01 0.00 0.00 64.21 61.69 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 3.99 -0.51 0.03 0.23 0.00 -1.25 -4.30 105.19 103.38 1c3y n GLY 19 Ca 0.57 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.39 -0.01 -0.22 1.61 3.14 -1.26 -4.89 118.33 113.31 1c3y n VAL 20 Ca -0.36 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 60.77 1c3y n VAL 20 Cb 1.03 -0.02 0.24 0.00 -1.06 0.00 0.00 33.84 34.03 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 1.12 -3.81 -3.38 6.55 3.41 -1.26 -4.80 113.62 111.46 1c3y n SER 21 Ca 0.00 -0.72 -0.39 0.00 -0.26 0.00 0.00 58.87 57.49 1c3y n SER 21 Cb 0.00 -0.85 -0.02 0.00 -0.26 0.00 0.00 64.21 63.08 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 -4.88 4.04 -0.01 4.33 4.07 -1.26 -4.35 120.64 122.58 1c3y n GLU 22 Ca 0.11 -2.68 -0.02 0.00 -0.06 0.00 0.00 57.16 54.52 1c3y n GLU 22 Cb 0.50 -2.74 -0.01 0.00 -0.06 0.00 0.00 31.44 29.13 1c3y n GLU 22 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1c3y n GLU 23 N 2.89 0.10 0.05 5.31 2.13 -1.26 -4.45 120.64 125.40 1c3y n GLU 23 Ca 0.73 0.04 -0.07 0.00 0.66 0.00 0.00 57.16 58.52 1c3y n GLU 23 Cb 0.24 -0.52 0.10 0.00 0.27 0.00 0.00 31.44 31.52 1c3y n GLU 23 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1c3y h SER 24 N -0.19 0.44 0.04 4.31 0.02 -1.96 -1.96 113.55 114.26 1c3y h SER 24 Ca 0.00 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1c3y h SER 24 Cb 0.19 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1c3y h SER 24 CO 0.00 0.90 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.50 1c3y h LEU 25 N 0.31 0.00 0.01 5.07 3.38 -1.85 0.85 115.31 123.07 1c3y h LEU 25 Ca 0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1c3y h LEU 25 Cb 1.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 1c3y h LEU 25 CO 0.09 0.02 -1.92 -3.20 0.09 0.00 0.00 178.44 173.52 1c3y n ASN 26 N -3.93 0.86 0.04 -0.43 5.15 -1.07 -4.10 115.26 111.78 1c3y n ASN 26 Ca -0.03 0.28 0.12 0.00 -0.60 0.00 0.00 54.58 54.36 1c3y n ASN 26 Cb 0.10 0.07 0.30 0.00 -0.53 0.00 0.00 39.78 39.72 1c3y n ASN 26 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1c3y n LYS 27 N -3.04 0.15 -0.25 1.20 5.02 -0.76 -3.95 118.16 116.53 1c3y n LYS 27 Ca -0.23 0.06 -0.05 0.00 -2.02 0.00 0.00 58.31 56.07 1c3y n LYS 27 Cb 1.07 -1.61 0.05 0.00 -0.02 0.00 0.00 35.03 34.53 1c3y n LYS 27 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1c3y h VAL 28 N 0.00 1.20 -0.57 -0.18 3.04 0.54 -1.87 116.25 118.42 1c3y h VAL 28 Ca 0.00 -0.43 0.16 0.00 -1.01 0.00 0.00 66.70 65.42 1c3y h VAL 28 Cb 0.63 0.21 -0.02 0.00 -2.01 0.00 0.00 31.29 30.10 1c3y h VAL 28 CO 0.00 0.21 0.41 0.08 -1.01 0.00 0.00 177.57 177.25 1c3y h ARG 29 N 0.96 0.04 -6.79 4.17 0.11 -1.79 -3.41 114.38 107.67 1c3y h ARG 29 Ca 0.25 -0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.84 1c3y h ARG 29 Cb -0.04 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.02 1c3y h ARG 29 CO -0.05 0.02 0.12 1.21 0.10 0.00 0.00 179.97 181.37 1c3y s ASN 30 N -6.16 6.68 -1.14 0.08 3.84 -0.70 -4.87 114.94 112.67 1c3y s ASN 30 Ca -0.05 1.25 -0.16 0.00 0.21 0.00 0.00 52.86 54.10 1c3y s ASN 30 Cb 0.20 -2.36 -0.06 0.00 -0.55 0.00 0.00 41.25 38.48 1c3y s ASN 30 CO 0.74 -0.29 2.15 0.54 -2.79 0.00 0.00 177.10 177.44 1c3y n ARG 31 N -0.74 2.29 -0.04 0.43 1.74 -1.26 -4.20 116.66 114.87 1c3y n ARG 31 Ca 0.03 -2.16 -0.03 0.00 -0.77 0.00 0.00 57.85 54.92 1c3y n ARG 31 Cb 0.53 -3.03 -0.08 0.00 -1.02 0.00 0.00 32.46 28.86 1c3y n ARG 31 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1c3y n GLU 32 N 6.13 1.89 -2.30 5.56 1.02 -1.26 -5.10 120.64 126.58 1c3y n GLU 32 Ca 0.52 -0.03 -0.04 0.00 -0.02 0.00 0.00 57.16 57.60 1c3y n GLU 32 Cb 0.36 -1.26 -0.03 0.00 -0.02 0.00 0.00 31.44 30.48 1c3y n GLU 32 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1c3y n GLU 33 N -2.27 -3.63 -3.94 3.49 0.00 -1.26 -5.07 120.64 107.96 1c3y n GLU 33 Ca -0.14 2.83 -0.15 0.00 0.00 0.00 0.00 57.16 59.71 1c3y n GLU 33 Cb 0.72 -4.10 -0.15 0.00 0.00 0.00 0.00 31.44 27.90 1c3y n GLU 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1c3y s VAL 34 N -0.51 0.14 0.00 6.31 0.11 -1.26 -5.09 120.40 120.11 1c3y s VAL 34 Ca -0.20 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 1c3y s VAL 34 Cb 0.01 -0.18 0.00 0.00 -1.53 0.00 0.00 36.38 34.68 1c3y s VAL 34 CO 0.54 0.08 0.00 0.47 -3.33 0.00 0.00 175.10 172.87 1c3y n ASP 35 N 3.53 0.00 -1.64 3.54 8.00 -1.26 -5.07 116.55 123.65 1c3y n ASP 35 Ca -0.19 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1c3y n ASP 35 Cb 0.55 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1c3y n ASP 35 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1c3y n ASP 36 N -1.41 -8.48 0.03 -2.24 9.92 -1.26 -4.45 116.55 108.65 1c3y n ASP 36 Ca 0.00 1.18 -0.11 0.00 -0.53 0.00 0.00 54.79 55.32 1c3y n ASP 36 Cb 0.00 -4.29 -0.09 0.00 -0.64 0.00 0.00 41.12 36.10 1c3y n ASP 36 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1c3y h PRO 37 N 2.72 -0.14 -0.57 -0.24 0.13 -2.00 -3.12 132.00 128.77 1c3y h PRO 37 Ca 0.00 0.01 0.14 0.00 -0.87 0.00 0.00 66.00 65.28 1c3y h PRO 37 Cb 0.00 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.13 1c3y h PRO 37 CO 0.00 0.35 0.40 0.87 -0.23 0.00 0.00 178.00 179.39 1c3y h LYS 38 N -0.80 0.16 -0.25 0.86 1.57 -1.90 -1.09 116.57 115.12 1c3y h LYS 38 Ca -0.02 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1c3y h LYS 38 Cb 0.56 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1c3y h LYS 38 CO 0.02 0.11 0.02 1.25 -0.57 0.00 0.00 179.45 180.28 1c3y h LEU 39 N 0.17 0.42 -0.68 2.94 6.46 -1.82 -0.62 115.31 122.18 1c3y h LEU 39 Ca 0.27 -0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1c3y h LEU 39 Cb 0.85 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 1c3y h LEU 39 CO -0.04 0.60 0.31 0.11 -0.62 0.00 0.00 178.44 178.80 1c3y h LYS 40 N 0.23 0.99 -0.12 1.25 1.57 -1.16 -2.40 116.57 116.92 1c3y h LYS 40 Ca 0.07 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1c3y h LYS 40 Cb 0.37 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1c3y h LYS 40 CO 0.01 0.79 0.05 0.93 -0.57 0.00 0.00 179.45 180.66 1c3y h GLU 41 N 0.95 0.17 -0.16 3.15 3.07 -1.26 -2.64 114.58 117.87 1c3y h GLU 41 Ca 0.23 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.11 1c3y h GLU 41 Cb 0.14 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 27.96 1c3y h GLU 41 CO -0.03 0.27 -0.31 1.25 -1.40 0.00 0.00 179.01 178.80 1c3y h HIS 42 N 0.03 -0.85 -0.37 4.33 2.76 -0.92 -1.47 115.15 118.67 1c3y h HIS 42 Ca 0.04 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.32 1c3y h HIS 42 Cb 0.17 0.40 -0.07 0.00 1.55 0.00 0.00 27.41 29.45 1c3y h HIS 42 CO -0.02 -0.38 -0.11 0.00 -1.30 0.00 0.00 177.93 176.12 1c3y h ALA 43 N 0.50 0.22 -0.26 5.26 0.00 -1.40 0.79 119.26 124.38 1c3y h ALA 43 Ca 0.11 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1c3y h ALA 43 Cb 0.53 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1c3y h ALA 43 CO -0.37 -0.47 0.21 0.35 0.00 0.00 0.00 179.25 178.97 1c3y h PHE 44 N -0.02 0.00 -0.10 0.00 3.57 -1.03 0.25 116.94 119.61 1c3y h PHE 44 Ca 0.18 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 1c3y h PHE 44 Cb 0.29 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1c3y h PHE 44 CO -0.35 0.00 -0.27 0.00 -2.23 0.00 0.00 178.31 175.47 1c3y n ILE 46 N -4.17 1.54 -0.28 0.00 -0.00 0.10 -3.64 119.36 112.92 1c3y n ILE 46 Ca -0.01 -0.81 -0.04 0.00 -0.00 0.00 0.00 62.75 61.89 1c3y n ILE 46 Cb 0.36 -0.86 0.08 0.00 -0.00 0.00 0.00 39.64 39.21 1c3y n ILE 46 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1c3y h LEU 47 N 0.00 0.88 -0.59 1.39 -0.00 -0.46 0.91 115.31 117.43 1c3y h LEU 47 Ca -0.37 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.88 57.37 1c3y h LEU 47 Cb 2.09 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 42.52 1c3y h LEU 47 CO 0.06 0.63 -0.23 0.11 -0.00 0.00 0.00 178.44 179.01 1c3y h LYS 48 N 1.03 0.87 -0.10 1.13 1.57 -1.59 -2.29 116.57 117.20 1c3y h LYS 48 Ca 0.29 -0.37 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1c3y h LYS 48 Cb -0.09 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1c3y h LYS 48 CO -0.07 1.01 -0.41 0.00 -0.57 0.00 0.00 179.45 179.41 1c3y h ARG 49 N 0.76 0.45 -0.14 3.15 2.47 -1.45 -3.15 114.38 116.46 1c3y h ARG 49 Ca 0.10 -0.36 0.04 0.00 -1.26 0.00 0.00 59.98 58.51 1c3y h ARG 49 Cb 0.77 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.16 1c3y h ARG 49 CO 0.06 0.99 0.12 0.00 0.56 0.00 0.00 179.97 181.70 1c3y h ALA 50 N 0.47 1.94 0.00 0.04 0.00 0.83 -3.46 119.26 119.08 1c3y h ALA 50 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1c3y h ALA 50 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1c3y h ALA 50 CO 0.09 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.55 1c3y n GLY 51 N -1.48 1.04 0.13 0.00 0.00 -1.03 -4.98 105.19 98.87 1c3y n GLY 51 Ca 0.01 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 1c3y n GLY 51 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1c3y h PHE 52 N 0.00 0.51 -3.99 1.61 0.04 -1.69 -3.47 116.94 109.95 1c3y h PHE 52 Ca 0.00 -0.38 -0.43 0.00 2.80 0.00 0.00 57.97 59.96 1c3y h PHE 52 Cb 0.26 -0.02 -0.23 0.00 2.20 0.00 0.00 35.95 38.16 1c3y h PHE 52 CO 0.00 1.63 -0.79 -1.50 -0.60 0.00 0.00 178.31 177.05 1c3y s ILE 53 N -2.58 1.12 0.58 -0.55 2.07 -1.19 -3.09 121.20 117.56 1c3y s ILE 53 Ca -0.17 -1.15 -0.00 0.00 -1.41 0.00 0.00 60.65 57.92 1c3y s ILE 53 Cb 0.06 -1.04 0.04 0.00 0.13 0.00 0.00 42.46 41.65 1c3y s ILE 53 CO 0.81 -0.10 0.82 1.51 -1.91 0.00 0.00 174.94 176.07 1c3y s ASP 54 N -1.43 5.22 0.58 4.50 1.47 -1.24 -4.28 116.67 121.49 1c3y s ASP 54 Ca -0.00 0.09 0.28 0.00 1.18 0.00 0.00 52.55 54.11 1c3y s ASP 54 Cb -0.09 -0.95 1.54 0.00 -0.34 0.00 0.00 42.92 43.08 1c3y s ASP 54 CO 0.02 -1.21 1.85 0.00 0.68 0.00 0.00 175.17 176.51 1c3y h ALA 55 N -0.04 1.23 0.00 2.11 0.00 -1.96 0.63 119.26 121.23 1c3y h ALA 55 Ca -0.43 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 1c3y h ALA 55 Cb 1.30 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1c3y h ALA 55 CO 0.54 -0.23 -1.52 1.03 0.00 0.00 0.00 179.25 179.07 1c3y h SER 56 N 0.00 0.00 0.00 0.00 0.87 -2.05 -3.48 113.55 108.89 1c3y h SER 56 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1c3y h SER 56 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1c3y h SER 56 CO 0.00 0.95 0.00 0.61 -0.53 0.00 0.00 176.83 177.86 1c3y n GLY 57 N 1.49 1.73 3.58 5.77 0.00 0.21 -4.87 105.19 113.11 1c3y n GLY 57 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.29 3.62 0.44 1.61 2.02 -1.26 -4.81 118.70 120.04 1c3y s GLU 58 Ca 0.00 0.36 -0.24 0.00 0.02 0.00 0.00 54.97 55.11 1c3y s GLU 58 Cb 0.00 -3.92 -0.08 0.00 0.10 0.00 0.00 34.13 30.23 1c3y s GLU 58 CO 0.00 -1.32 1.20 -0.59 0.02 0.00 0.00 175.26 174.56 1c3y s PHE 59 N 4.15 2.87 -0.45 1.61 -0.12 -1.26 -3.70 117.98 121.08 1c3y s PHE 59 Ca 0.43 1.51 0.02 0.00 -0.05 0.00 0.00 56.93 58.84 1c3y s PHE 59 Cb -0.08 -3.45 0.15 0.00 -0.63 0.00 0.00 43.02 39.00 1c3y s PHE 59 CO 0.29 -1.64 0.28 -0.65 -0.05 0.00 0.00 175.22 173.45 1c3y s GLN 60 N -2.55 1.25 0.41 1.99 -0.21 -1.18 -4.95 119.66 114.43 1c3y s GLN 60 Ca 0.62 -2.07 0.22 0.00 0.02 0.00 0.00 55.36 54.14 1c3y s GLN 60 Cb -0.31 -2.17 0.76 0.00 1.00 0.00 0.00 33.01 32.29 1c3y s GLN 60 CO 0.39 -1.22 1.76 -0.07 -2.12 0.00 0.00 175.29 174.03 1c3y h LEU 61 N 6.45 0.00 -2.20 2.90 3.38 -1.95 -2.88 115.31 121.01 1c3y h LEU 61 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1c3y h LEU 61 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1c3y h LEU 61 CO 0.46 0.28 -0.00 0.44 0.09 0.00 0.00 178.44 179.71 1c3y h ASP 62 N 0.00 0.00 0.23 -0.43 3.32 -1.98 0.11 116.42 117.66 1c3y h ASP 62 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 1c3y h ASP 62 Cb 0.86 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.35 1c3y h ASP 62 CO 0.04 0.00 -2.05 1.41 -1.72 0.00 0.00 179.24 176.92 1c3y n HIS 63 N -4.25 0.63 0.05 4.55 8.25 -1.14 -3.94 115.22 119.38 1c3y n HIS 63 Ca -0.03 0.20 -0.13 0.00 -0.26 0.00 0.00 57.72 57.50 1c3y n HIS 63 Cb 0.09 -1.10 -0.09 0.00 1.12 0.00 0.00 29.99 30.00 1c3y n HIS 63 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1c3y h ILE 64 N 0.01 1.07 -0.72 1.59 2.04 -1.22 -2.65 117.51 117.63 1c3y h ILE 64 Ca -0.42 -0.80 0.13 0.00 1.00 0.00 0.00 64.86 64.77 1c3y h ILE 64 Cb 2.08 1.57 -0.09 0.00 -0.74 0.00 0.00 36.82 39.64 1c3y h ILE 64 CO 0.05 0.19 0.28 0.07 0.00 0.00 0.00 178.15 178.74 1c3y h LYS 65 N -0.53 0.43 -0.30 2.37 2.10 -1.01 0.14 116.57 119.76 1c3y h LYS 65 Ca -0.02 -0.03 0.01 0.00 -2.00 0.00 0.00 60.65 58.62 1c3y h LYS 65 Cb 0.43 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.64 1c3y h LYS 65 CO 0.03 0.28 0.17 1.15 -2.00 0.00 0.00 179.45 179.08 1c3y h THR 66 N 0.44 1.03 -0.12 0.07 2.02 -1.67 0.29 112.91 114.96 1c3y h THR 66 Ca 0.38 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 1c3y h THR 66 Cb 0.55 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1c3y h THR 66 CO -0.37 0.07 0.04 0.11 0.37 0.00 0.00 175.52 175.73 1c3y h LYS 67 N 0.36 0.18 0.00 6.66 1.79 -0.90 -1.86 116.57 122.80 1c3y h LYS 67 Ca 0.12 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1c3y h LYS 67 Cb 0.00 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1c3y h LYS 67 CO -0.06 0.31 -0.12 0.74 -1.08 0.00 0.00 179.45 179.24 1c3y h PHE 68 N 0.02 0.00 0.16 -1.35 0.04 -0.59 -2.37 116.94 112.85 1c3y h PHE 68 Ca 0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1c3y h PHE 68 Cb 0.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1c3y h PHE 68 CO -0.01 0.12 -0.07 0.87 -0.60 0.00 0.00 178.31 178.62 1c3y h LYS 69 N 0.00 -0.20 -0.69 1.51 1.57 0.03 -3.25 116.57 115.54 1c3y h LYS 69 Ca -0.00 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 58.99 1c3y h LYS 69 Cb 0.40 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1c3y h LYS 69 CO 0.02 -0.13 0.62 1.05 -0.57 0.00 0.00 179.45 180.44 1c3y h GLU 70 N -0.46 0.00 0.00 3.15 4.11 -1.37 -3.41 114.58 116.60 1c3y h GLU 70 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1c3y h GLU 70 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1c3y h GLU 70 CO 0.04 0.00 0.00 -1.71 0.07 0.00 0.00 179.01 177.41 1c3y n ASN 71 N -3.87 0.00 -0.50 3.06 2.85 -0.89 -5.04 115.26 110.86 1c3y n ASN 71 Ca 0.14 -0.10 0.06 0.00 -0.11 0.00 0.00 54.58 54.56 1c3y n ASN 71 Cb 0.88 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.87 1c3y n ASN 71 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1c3y n SER 72 N -0.31 -2.72 0.07 1.20 2.88 -1.26 -4.34 113.62 109.14 1c3y n SER 72 Ca 0.00 0.52 -0.06 0.00 -1.33 0.00 0.00 58.87 57.99 1c3y n SER 72 Cb 0.00 -1.70 -0.08 0.00 -0.75 0.00 0.00 64.21 61.68 1c3y n SER 72 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1c3y h GLU 73 N -0.47 0.00 -1.74 -1.46 4.81 -1.94 -3.40 114.58 110.37 1c3y h GLU 73 Ca -0.07 0.00 -0.43 0.00 -0.13 0.00 0.00 59.36 58.74 1c3y h GLU 73 Cb 0.47 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.56 1c3y h GLU 73 CO 0.03 0.95 -0.81 -2.39 -0.73 0.00 0.00 179.01 176.05 1c3y n HIS 74 N -3.40 -1.94 -2.51 0.92 1.44 -1.26 -5.13 115.22 103.34 1c3y n HIS 74 Ca -0.00 -2.62 -0.41 0.00 -2.01 0.00 0.00 57.72 52.67 1c3y n HIS 74 Cb 0.90 0.67 -0.04 0.00 0.12 0.00 0.00 29.99 31.64 1c3y n HIS 74 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1c3y s PRO 75 N 0.21 4.58 0.00 -1.40 0.04 -1.26 -4.75 135.00 132.43 1c3y s PRO 75 Ca 0.32 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1c3y s PRO 75 Cb 0.06 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1c3y s PRO 75 CO -0.15 0.06 0.00 -0.85 0.04 0.00 0.00 177.00 176.10 1c3y n GLU 76 N 2.43 0.00 -0.66 4.56 0.28 -1.26 -4.96 120.64 121.03 1c3y n GLU 76 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1c3y n GLU 76 Cb 0.46 0.00 0.21 0.00 1.43 0.00 0.00 31.44 33.54 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 -1.49 2.04 0.04 3.44 5.02 -1.26 -4.70 118.16 121.24 1c3y n LYS 77 Ca 0.00 -3.07 -0.12 0.00 -2.02 0.00 0.00 58.31 53.10 1c3y n LYS 77 Cb 0.00 -1.79 -0.08 0.00 -0.02 0.00 0.00 35.03 33.14 1c3y n LYS 77 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1c3y h VAL 78 N 1.12 1.07 -0.54 -0.18 2.07 -1.93 -0.90 116.25 116.96 1c3y h VAL 78 Ca 0.15 -0.27 0.11 0.00 0.82 0.00 0.00 66.70 67.50 1c3y h VAL 78 Cb 1.54 1.26 -0.11 0.00 -1.52 0.00 0.00 31.29 32.46 1c3y h VAL 78 CO 0.31 0.07 -0.18 -2.24 0.02 0.00 0.00 177.57 175.55 1c3y h ASP 79 N -0.15 -0.64 -0.44 0.57 2.03 -1.85 0.88 116.42 116.82 1c3y h ASP 79 Ca -0.00 0.18 -0.11 0.00 -0.73 0.00 0.00 57.03 56.36 1c3y h ASP 79 Cb 0.14 0.39 -0.01 0.00 -0.83 0.00 0.00 39.33 39.01 1c3y h ASP 79 CO 0.00 -0.22 -0.16 -2.24 -1.03 0.00 0.00 179.24 175.60 1c3y h ASP 80 N -0.05 0.91 -0.36 4.15 3.04 -1.90 -3.03 116.42 119.18 1c3y h ASP 80 Ca 0.26 -0.38 -0.07 0.00 -3.24 0.00 0.00 57.03 53.59 1c3y h ASP 80 Cb 0.44 -0.25 -0.02 0.00 -1.04 0.00 0.00 39.33 38.46 1c3y h ASP 80 CO -0.58 1.09 -0.01 0.25 -2.04 0.00 0.00 179.24 177.94 1c3y h LEU 81 N 0.72 0.71 -0.03 0.15 5.85 0.09 -2.81 115.31 120.00 1c3y h LEU 81 Ca 0.11 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1c3y h LEU 81 Cb 0.72 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1c3y h LEU 81 CO 0.05 0.79 -0.01 0.58 -0.34 0.00 0.00 178.44 179.52 1c3y h VAL 82 N 0.70 0.97 -0.12 1.05 2.07 0.85 0.79 116.25 122.56 1c3y h VAL 82 Ca 0.14 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.68 1c3y h VAL 82 Cb 0.45 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1c3y h VAL 82 CO 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.60 1c3y h ALA 83 N 1.03 0.09 0.00 1.67 0.00 -1.44 0.73 119.26 121.34 1c3y h ALA 83 Ca 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1c3y h ALA 83 Cb 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1c3y h ALA 83 CO -0.03 -0.47 -0.03 -0.22 0.00 0.00 0.00 179.25 178.50 1c3y h LYS 84 N 0.03 0.00 0.13 0.00 3.11 -1.33 -3.26 116.57 115.24 1c3y h LYS 84 Ca 0.06 0.00 -0.35 0.00 -2.81 0.00 0.00 60.65 57.55 1c3y h LYS 84 Cb 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 1c3y h LYS 84 CO -0.10 0.03 -1.88 0.00 -2.81 0.00 0.00 179.45 174.69 1c3y n ALA 86 N -3.01 7.44 -1.77 0.00 0.00 0.25 -4.65 120.51 118.77 1c3y n ALA 86 Ca -0.30 -3.32 -0.42 0.00 0.00 0.00 0.00 53.44 49.39 1c3y n ALA 86 Cb 1.02 -3.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.19 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 2.04 3.19 -0.22 0.00 -7.23 -1.26 -4.89 120.40 112.03 1c3y s VAL 87 Ca 0.70 0.22 -0.29 0.00 -1.81 0.00 0.00 61.98 60.80 1c3y s VAL 87 Cb 0.20 -3.18 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1c3y s VAL 87 CO -0.05 -0.06 1.92 -1.59 -0.31 0.00 0.00 175.10 175.01 1c3y s LYS 88 N 4.99 3.47 0.43 4.82 0.00 -1.26 -4.73 119.74 127.46 1c3y s LYS 88 Ca 0.87 1.83 0.05 0.00 0.00 0.00 0.00 55.97 58.73 1c3y s LYS 88 Cb -0.36 -4.22 0.08 0.00 0.00 0.00 0.00 37.83 33.33 1c3y s LYS 88 CO 0.36 -1.71 0.60 1.63 0.00 0.00 0.00 175.35 176.24 1c3y n LYS 89 N 8.26 0.58 0.15 1.78 5.02 -1.26 -4.98 118.16 127.71 1c3y n LYS 89 Ca 0.24 -2.15 0.12 0.00 -2.02 0.00 0.00 58.31 54.50 1c3y n LYS 89 Cb 0.45 -0.24 0.54 0.00 -0.02 0.00 0.00 35.03 35.76 1c3y n LYS 89 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1c3y n ASP 90 N -2.62 0.64 -3.89 4.39 5.75 -1.26 -4.71 116.55 114.85 1c3y n ASP 90 Ca 0.12 0.71 -0.11 0.00 -0.01 0.00 0.00 54.79 55.50 1c3y n ASP 90 Cb 0.42 -0.83 -0.10 0.00 -1.03 0.00 0.00 41.12 39.59 1c3y n ASP 90 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1c3y s THR 91 N -3.42 0.09 0.05 2.12 -4.23 -1.26 -5.07 115.64 103.92 1c3y s THR 91 Ca 0.02 -0.73 -0.19 0.00 -1.18 0.00 0.00 61.69 59.60 1c3y s THR 91 Cb 0.08 -0.39 -0.14 0.00 1.34 0.00 0.00 72.50 73.38 1c3y s THR 91 CO 0.32 -0.40 1.32 1.55 -0.54 0.00 0.00 174.62 176.87 1c3y h PRO 92 N 4.37 0.43 -0.11 3.99 0.13 -1.87 -2.90 132.00 136.04 1c3y h PRO 92 Ca -0.31 -0.26 0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1c3y h PRO 92 Cb 1.20 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1c3y h PRO 92 CO 0.41 0.84 0.16 -0.56 -0.23 0.00 0.00 178.00 178.62 1c3y h GLN 93 N 0.06 0.00 0.20 0.86 3.07 -1.96 -0.06 115.11 117.28 1c3y h GLN 93 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.75 1c3y h GLN 93 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.36 1c3y h GLN 93 CO 0.05 0.00 -0.10 1.25 0.09 0.00 0.00 178.83 180.13 1c3y h HIS 94 N 0.00 -0.25 -0.66 0.06 2.76 -1.82 -3.24 115.15 112.00 1c3y h HIS 94 Ca 0.05 -0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.41 1c3y h HIS 94 Cb 0.36 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.38 1c3y h HIS 94 CO 0.00 -0.16 0.63 0.66 -1.30 0.00 0.00 177.93 177.77 1c3y h SER 95 N -0.84 0.00 0.24 3.26 4.64 -1.25 -1.67 113.55 117.92 1c3y h SER 95 Ca -0.03 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1c3y h SER 95 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 1c3y h SER 95 CO 0.05 0.00 -0.38 -1.28 -0.87 0.00 0.00 176.83 174.35 1c3y h SER 96 N 0.00 -1.07 -0.44 4.97 0.87 -1.04 -1.50 113.55 115.34 1c3y h SER 96 Ca 0.31 0.11 0.02 0.00 -1.23 0.00 0.00 61.79 61.00 1c3y h SER 96 Cb 1.58 0.38 -0.02 0.00 -0.44 0.00 0.00 62.40 63.90 1c3y h SER 96 CO -0.00 -0.49 0.30 0.00 -0.53 0.00 0.00 176.83 176.11 1c3y h ALA 97 N -0.19 1.77 -0.84 6.23 0.00 -1.39 -1.91 119.26 122.92 1c3y h ALA 97 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1c3y h ALA 97 Cb 0.66 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1c3y h ALA 97 CO -0.15 0.18 0.54 -0.44 0.00 0.00 0.00 179.25 179.38 1c3y h ASP 98 N 0.52 0.99 -0.74 0.00 5.19 -1.27 -2.25 116.42 118.86 1c3y h ASP 98 Ca 0.17 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 1c3y h ASP 98 Cb 0.06 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.29 1c3y h ASP 98 CO -0.04 0.74 0.39 -0.26 -3.12 0.00 0.00 179.24 176.94 1c3y h PHE 99 N 1.15 1.05 -1.17 4.55 0.04 -0.48 -1.05 116.94 121.04 1c3y h PHE 99 Ca 0.31 -0.03 -0.58 0.00 2.80 0.00 0.00 57.97 60.47 1c3y h PHE 99 Cb -0.10 -0.33 -0.22 0.00 2.20 0.00 0.00 35.95 37.50 1c3y h PHE 99 CO -0.01 0.75 0.69 0.34 -0.60 0.00 0.00 178.31 179.48 1c3y n PHE 100 N -4.34 2.34 0.16 -0.55 7.35 -0.86 -4.22 117.46 117.34 1c3y n PHE 100 Ca 0.08 -2.31 0.00 0.00 -0.76 0.00 0.00 57.45 54.46 1c3y n PHE 100 Cb 0.12 -1.26 0.00 0.00 0.35 0.00 0.00 39.48 38.69 1c3y n PHE 100 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1c3y n LYS 101 N -0.03 0.00 -0.11 -4.13 5.02 -1.00 -4.93 118.16 112.98 1c3y n LYS 101 Ca 0.50 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.73 1c3y n LYS 101 Cb 0.50 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.51 1c3y n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c3y h VAL 103 N -0.15 0.33 0.20 0.00 -1.51 -1.80 -0.96 116.25 112.37 1c3y h VAL 103 Ca 0.19 0.00 -0.35 0.00 -1.23 0.00 0.00 66.70 65.31 1c3y h VAL 103 Cb 0.44 0.81 0.01 0.00 -2.13 0.00 0.00 31.29 30.43 1c3y h VAL 103 CO -0.48 0.00 -1.72 0.45 -1.23 0.00 0.00 177.57 174.60 1c3y h HIS 104 N 0.00 0.77 -2.95 5.19 -0.00 -0.91 -3.40 115.15 113.84 1c3y h HIS 104 Ca 0.07 -0.56 -0.75 0.00 -0.00 0.00 0.00 60.37 59.13 1c3y h HIS 104 Cb 0.51 -0.03 -0.22 0.00 -0.00 0.00 0.00 27.41 27.67 1c3y h HIS 104 CO 0.00 1.67 0.73 0.34 -0.00 0.00 0.00 177.93 180.66 1c3y s ASP 105 N -7.35 6.98 0.56 2.45 -1.08 -0.04 -5.02 116.67 113.16 1c3y s ASP 105 Ca -0.15 -2.88 -0.01 0.00 -0.52 0.00 0.00 52.55 48.99 1c3y s ASP 105 Cb 0.05 -2.31 0.03 0.00 -1.46 0.00 0.00 42.92 39.23 1c3y s ASP 105 CO 0.87 -0.66 0.81 0.54 0.52 0.00 0.00 175.17 177.25 1c3y s ASN 106 N 2.46 5.34 0.18 -0.34 2.20 -1.25 -4.82 114.94 118.71 1c3y s ASN 106 Ca 0.32 0.20 -0.12 0.00 -0.94 0.00 0.00 52.86 52.33 1c3y s ASN 106 Cb -0.07 -1.13 0.10 0.00 -2.00 0.00 0.00 41.25 38.15 1c3y s ASN 106 CO -0.06 -1.12 1.78 -0.09 -2.94 0.00 0.00 177.10 174.67 1c3y h ARG 107 N -0.00 0.91 0.00 3.55 9.65 -1.95 -3.53 114.38 123.00 1c3y h ARG 107 Ca -0.44 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.32 1c3y h ARG 107 Cb 1.29 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 1c3y h ARG 107 CO 0.55 0.71 0.00 0.45 2.80 0.00 0.00 179.97 184.48