#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 0.06 0.10 6.31 -4.23 -1.26 -5.04 115.64 111.58 1c3y s THR 2 Ca 0.00 -1.20 -0.13 0.00 -1.18 0.00 0.00 61.69 59.18 1c3y s THR 2 Cb 0.00 -1.73 -0.13 0.00 1.34 0.00 0.00 72.50 71.98 1c3y s THR 2 CO 0.00 -0.27 1.35 1.55 -0.54 0.00 0.00 174.62 176.71 1c3y h PRO 3 N 2.46 0.79 0.00 3.99 0.13 -2.11 -3.39 132.00 133.87 1c3y h PRO 3 Ca -0.31 -0.56 -0.14 0.00 -0.87 0.00 0.00 66.00 64.12 1c3y h PRO 3 Cb 1.24 0.09 -0.22 0.00 0.13 0.00 0.00 31.00 32.24 1c3y h PRO 3 CO 0.46 1.18 -0.55 -2.13 -0.23 0.00 0.00 178.00 176.73 1c3y n ARG 4 N -4.04 0.00 -1.43 0.86 3.00 -1.26 -5.15 116.66 108.64 1c3y n ARG 4 Ca -0.06 -1.33 0.19 0.00 -0.00 0.00 0.00 57.85 56.65 1c3y n ARG 4 Cb 0.65 0.31 -0.05 0.00 0.00 0.00 0.00 32.46 33.37 1c3y n ARG 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1c3y n GLU 5 N 0.17 -2.91 -0.12 -0.14 4.71 -1.26 -4.79 120.64 116.31 1c3y n GLU 5 Ca -0.15 1.95 -0.24 0.00 -0.01 0.00 0.00 57.16 58.70 1c3y n GLU 5 Cb 0.85 -3.54 -0.08 0.00 -1.01 0.00 0.00 31.44 27.67 1c3y n GLU 5 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1c3y n LYS 6 N -4.21 0.57 0.02 3.49 5.02 -1.26 -5.07 118.16 116.73 1c3y n LYS 6 Ca 0.00 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1c3y n LYS 6 Cb 0.67 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 1c3y n LYS 6 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1c3y n LEU 7 N -4.31 -0.44 0.00 -0.35 0.00 -1.26 -5.17 117.00 105.47 1c3y n LEU 7 Ca -0.43 0.26 0.00 0.00 0.00 0.00 0.00 56.01 55.84 1c3y n LEU 7 Cb 0.78 0.64 0.00 0.00 0.00 0.00 0.00 43.42 44.84 1c3y n LEU 7 CO 0.08 -0.03 0.00 1.17 0.00 0.00 0.00 177.39 178.61 1c3y n LYS 8 N -2.32 0.00 -3.33 1.96 4.81 -1.26 -5.12 118.16 112.91 1c3y n LYS 8 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.00 1c3y n LYS 8 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 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 -2.00 3.02 0.03 1.64 -0.21 -1.26 -5.04 119.66 115.83 1c3y s GLN 9 Ca 0.00 -1.25 0.04 0.00 0.02 0.00 0.00 55.36 54.17 1c3y s GLN 9 Cb 0.00 -4.13 -0.02 0.00 1.00 0.00 0.00 33.01 29.86 1c3y s GLN 9 CO 0.00 -1.09 -0.11 -1.58 -2.12 0.00 0.00 175.29 170.39 1c3y s HIS 10 N 1.90 0.96 -1.08 0.91 2.46 -1.26 -4.85 115.29 114.32 1c3y s HIS 10 Ca 0.07 -0.31 -0.04 0.00 0.47 0.00 0.00 55.06 55.24 1c3y s HIS 10 Cb -0.23 -0.58 -0.05 0.00 -0.13 0.00 0.00 32.58 31.59 1c3y s HIS 10 CO 0.08 -0.00 0.94 0.43 -2.47 0.00 0.00 174.74 173.71 1c3y n SER 11 N 2.11 -5.49 -4.57 9.88 7.64 -1.26 -4.79 113.62 117.15 1c3y n SER 11 Ca -0.17 -0.68 -0.17 0.00 1.01 0.00 0.00 58.87 58.85 1c3y n SER 11 Cb 0.55 -5.18 -0.08 0.00 -1.01 0.00 0.00 64.21 58.50 1c3y n SER 11 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1c3y s ASP 12 N -3.63 4.05 0.00 6.43 -4.77 -1.26 -2.66 116.67 114.82 1c3y s ASP 12 Ca 0.34 -0.59 0.00 0.00 -3.30 0.00 0.00 52.55 49.00 1c3y s ASP 12 Cb -0.04 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.21 1c3y s ASP 12 CO 0.73 -3.92 0.00 0.00 0.70 0.00 0.00 175.17 172.68 1c3y n ALA 13 N 17.85 0.00 0.38 2.11 0.00 -1.26 -4.94 120.51 134.64 1c3y n ALA 13 Ca 0.44 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.01 1c3y n ALA 13 Cb 0.45 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.32 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 -0.26 0.00 1.79 -1.73 0.88 116.57 117.25 1c3y h LYS 15 Ca 0.00 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.55 1c3y h LYS 15 Cb 0.69 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 1c3y h LYS 15 CO 0.00 0.14 0.24 0.00 -1.08 0.00 0.00 179.45 178.75 1c3y h ALA 16 N 1.86 2.01 0.00 3.86 0.00 -1.90 -3.41 119.26 121.68 1c3y h ALA 16 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1c3y h ALA 16 Cb 0.68 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1c3y h ALA 16 CO 0.02 -0.38 0.00 -1.91 0.00 0.00 0.00 179.25 176.98 1c3y n GLU 17 N -4.01 0.00 -1.23 0.00 4.07 -1.11 -4.98 120.64 113.38 1c3y n GLU 17 Ca 0.03 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.75 1c3y n GLU 17 Cb 0.39 -0.02 -0.03 0.00 -0.06 0.00 0.00 31.44 31.72 1c3y n GLU 17 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1c3y n SER 18 N -2.37 3.77 -2.27 4.31 7.64 0.30 -4.62 113.62 120.37 1c3y n SER 18 Ca 0.00 -2.64 -0.32 0.00 1.01 0.00 0.00 58.87 56.91 1c3y n SER 18 Cb 0.00 -1.28 0.07 0.00 -1.01 0.00 0.00 64.21 61.99 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 4.21 5.60 3.62 0.23 0.00 -1.20 -4.16 105.19 113.48 1c3y n GLY 19 Ca 0.51 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 1c3y n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3y s VAL 20 N -4.43 3.05 0.00 1.61 0.11 -1.26 -4.96 120.40 114.51 1c3y s VAL 20 Ca 0.60 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 1c3y s VAL 20 Cb 0.47 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 32.26 1c3y s VAL 20 CO -0.01 -0.03 0.00 -1.54 -3.33 0.00 0.00 175.10 170.19 1c3y n SER 21 N 10.34 -0.93 -2.22 3.54 3.41 -1.26 -4.88 113.62 121.62 1c3y n SER 21 Ca 0.26 -0.16 -0.30 0.00 -0.26 0.00 0.00 58.87 58.42 1c3y n SER 21 Cb 0.44 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.46 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 -1.08 2.46 -0.09 4.33 2.13 -1.26 -4.35 120.64 122.78 1c3y n GLU 22 Ca 0.00 -2.86 -0.17 0.00 0.66 0.00 0.00 57.16 54.79 1c3y n GLU 22 Cb 0.00 -2.12 -0.06 0.00 0.27 0.00 0.00 31.44 29.53 1c3y n GLU 22 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1c3y n GLU 23 N -0.62 0.42 -0.03 5.31 4.07 -1.26 -4.18 120.64 124.34 1c3y n GLU 23 Ca 0.55 0.18 -0.12 0.00 -0.06 0.00 0.00 57.16 57.71 1c3y n GLU 23 Cb 0.67 -1.21 0.01 0.00 -0.06 0.00 0.00 31.44 30.86 1c3y n GLU 23 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1c3y h SER 24 N -0.73 0.77 -0.38 4.31 0.02 -1.95 -2.82 113.55 112.75 1c3y h SER 24 Ca -0.34 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.17 1c3y h SER 24 Cb 1.21 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1c3y h SER 24 CO -0.21 1.17 0.20 -0.07 -1.14 0.00 0.00 176.83 176.79 1c3y h LEU 25 N 0.52 0.52 -0.57 5.07 3.38 -1.83 -1.82 115.31 120.59 1c3y h LEU 25 Ca 0.00 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1c3y h LEU 25 Cb 1.15 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1c3y h LEU 25 CO 0.12 0.45 -0.41 -1.13 0.09 0.00 0.00 178.44 177.56 1c3y h ASN 26 N 0.59 0.74 0.34 -0.43 -0.73 -1.69 -2.75 115.58 111.65 1c3y h ASN 26 Ca 0.15 -0.34 -0.03 0.00 1.87 0.00 0.00 56.30 57.95 1c3y h ASN 26 Cb 0.07 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 38.44 1c3y h ASN 26 CO -0.02 1.06 -0.15 0.11 -0.37 0.00 0.00 177.43 178.06 1c3y h LYS 27 N 0.57 0.00 -0.02 6.67 1.57 -1.10 -2.13 116.57 122.13 1c3y h LYS 27 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1c3y h LYS 27 Cb 0.94 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1c3y h LYS 27 CO 0.09 0.15 0.01 0.28 -0.57 0.00 0.00 179.45 179.41 1c3y h VAL 28 N 0.00 1.01 -0.33 0.50 2.07 -1.13 -0.95 116.25 117.41 1c3y h VAL 28 Ca -0.00 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1c3y h VAL 28 Cb 0.36 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1c3y h VAL 28 CO 0.02 0.01 0.23 0.03 0.02 0.00 0.00 177.57 177.87 1c3y h ARG 29 N 0.02 0.21 -6.19 1.57 3.08 -1.49 -3.42 114.38 108.17 1c3y h ARG 29 Ca 0.01 -0.01 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1c3y h ARG 29 Cb -0.00 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 29.93 1c3y h ARG 29 CO -0.00 0.14 -0.57 -0.80 -1.07 0.00 0.00 179.97 177.67 1c3y s ASN 30 N -6.62 5.52 -1.10 7.04 -0.87 -0.36 -4.95 114.94 113.60 1c3y s ASN 30 Ca -0.06 -0.12 -0.18 0.00 -1.57 0.00 0.00 52.86 50.93 1c3y s ASN 30 Cb 0.18 -1.45 -0.07 0.00 -0.02 0.00 0.00 41.25 39.90 1c3y s ASN 30 CO 0.71 0.07 2.10 -1.14 -2.57 0.00 0.00 177.10 176.27 1c3y n ARG 31 N -0.31 2.17 -0.01 -0.60 0.63 -1.26 -4.08 116.66 113.20 1c3y n ARG 31 Ca -0.08 -2.16 -0.01 0.00 -0.92 0.00 0.00 57.85 54.67 1c3y n ARG 31 Cb 0.55 -3.05 -0.01 0.00 0.45 0.00 0.00 32.46 30.39 1c3y n ARG 31 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1c3y n GLU 32 N 6.39 0.05 -2.11 -0.14 1.02 -1.26 -5.13 120.64 119.46 1c3y n GLU 32 Ca 0.51 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1c3y n GLU 32 Cb 0.38 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 1c3y n GLU 32 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1c3y n GLU 33 N -2.62 -5.03 -0.08 3.49 -0.58 -1.26 -4.96 120.64 109.60 1c3y n GLU 33 Ca -0.03 3.64 -0.07 0.00 -0.42 0.00 0.00 57.16 60.28 1c3y n GLU 33 Cb 0.53 -4.20 -0.16 0.00 -0.57 0.00 0.00 31.44 27.04 1c3y n GLU 33 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1c3y n VAL 34 N 1.74 1.22 -2.65 2.62 0.24 -1.26 -5.07 118.33 115.17 1c3y n VAL 34 Ca 0.00 -0.81 -0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1c3y n VAL 34 Cb 0.00 -0.45 -0.00 0.00 -1.47 0.00 0.00 33.84 31.92 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 -2.71 -7.30 -3.87 -1.34 8.00 -1.26 -5.07 116.55 103.00 1c3y n ASP 35 Ca -0.28 1.37 -0.11 0.00 0.71 0.00 0.00 54.79 56.48 1c3y n ASP 35 Cb 1.07 -5.15 -0.12 0.00 -0.02 0.00 0.00 41.12 36.91 1c3y n ASP 35 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1c3y s ASP 36 N -1.50 -0.01 -0.04 -2.24 1.11 -1.26 -5.07 116.67 107.65 1c3y s ASP 36 Ca -0.02 -0.03 -0.26 0.00 0.18 0.00 0.00 52.55 52.42 1c3y s ASP 36 Cb 0.00 0.21 -0.21 0.00 1.07 0.00 0.00 42.92 43.99 1c3y s ASP 36 CO 0.75 -0.20 1.17 1.55 1.18 0.00 0.00 175.17 179.63 1c3y h PRO 37 N 5.16 0.03 -0.40 8.23 0.13 -2.01 -3.18 132.00 139.96 1c3y h PRO 37 Ca -0.28 -0.02 0.12 0.00 -0.87 0.00 0.00 66.00 64.95 1c3y h PRO 37 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1c3y h PRO 37 CO 0.42 0.61 0.32 0.87 -0.23 0.00 0.00 178.00 179.99 1c3y h LYS 38 N -0.55 0.00 0.48 0.86 1.57 -1.94 -0.53 116.57 116.46 1c3y h LYS 38 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1c3y h LYS 38 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1c3y h LYS 38 CO 0.00 0.00 -0.23 1.25 -0.57 0.00 0.00 179.45 179.91 1c3y h LEU 39 N 0.00 -0.54 -0.72 2.94 6.46 -1.92 0.15 115.31 121.68 1c3y h LEU 39 Ca 0.19 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.84 1c3y h LEU 39 Cb 0.83 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.87 1c3y h LEU 39 CO -0.00 -0.21 0.31 0.11 -0.62 0.00 0.00 178.44 178.03 1c3y h LYS 40 N -0.89 1.06 -0.05 1.25 1.57 -1.42 -2.21 116.57 115.88 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 0.58 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1c3y h LYS 40 CO 0.11 0.86 0.02 0.93 -0.57 0.00 0.00 179.45 180.80 1c3y h GLU 41 N 1.03 0.07 -0.68 3.15 5.08 -1.11 -2.79 114.58 119.33 1c3y h GLU 41 Ca 0.24 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.66 1c3y h GLU 41 Cb 0.18 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 1c3y h GLU 41 CO -0.02 0.22 0.36 1.25 -1.00 0.00 0.00 179.01 179.82 1c3y h HIS 42 N -0.09 0.66 -0.83 4.33 2.76 -0.56 -2.12 115.15 119.30 1c3y h HIS 42 Ca 0.02 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.25 1c3y h HIS 42 Cb 0.18 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 28.89 1c3y h HIS 42 CO -0.02 0.29 0.53 0.00 -1.30 0.00 0.00 177.93 177.43 1c3y h ALA 43 N 1.37 1.11 -0.79 5.26 0.00 -1.30 -1.85 119.26 123.05 1c3y h ALA 43 Ca 0.31 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1c3y h ALA 43 Cb 0.24 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1c3y h ALA 43 CO -0.21 0.33 0.52 0.35 0.00 0.00 0.00 179.25 180.24 1c3y h PHE 44 N 1.00 0.93 0.00 0.00 3.57 -1.11 0.60 116.94 121.94 1c3y h PHE 44 Ca 0.34 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 1c3y h PHE 44 Cb 0.06 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 1c3y h PHE 44 CO -0.03 0.54 -0.10 0.00 -2.23 0.00 0.00 178.31 176.49 1c3y h ILE 46 N 0.00 0.96 -0.22 0.00 1.08 -0.83 -3.14 117.51 115.35 1c3y h ILE 46 Ca -0.00 -2.68 -0.00 0.00 -0.39 0.00 0.00 64.86 61.79 1c3y h ILE 46 Cb 0.24 2.61 -0.01 0.00 -3.07 0.00 0.00 36.82 36.59 1c3y h ILE 46 CO 0.01 0.75 0.12 -0.07 -0.69 0.00 0.00 178.15 178.28 1c3y h LEU 47 N 0.05 0.28 -1.03 1.44 -0.00 -0.54 -0.43 115.31 115.07 1c3y h LEU 47 Ca -0.29 -0.08 -0.07 0.00 -0.00 0.00 0.00 57.88 57.44 1c3y h LEU 47 Cb 2.01 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 42.58 1c3y h LEU 47 CO 0.12 0.28 -0.03 0.50 -0.00 0.00 0.00 178.44 179.31 1c3y h LYS 48 N 0.26 0.66 -0.07 1.13 3.64 -1.52 -2.29 116.57 118.38 1c3y h LYS 48 Ca 0.08 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1c3y h LYS 48 Cb 0.06 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1c3y h LYS 48 CO -0.01 0.70 0.02 0.00 -2.27 0.00 0.00 179.45 177.89 1c3y h ARG 49 N 0.62 0.10 0.00 1.90 3.08 -1.40 -2.55 114.38 116.13 1c3y h ARG 49 Ca 0.12 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1c3y h ARG 49 Cb 0.43 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1c3y h ARG 49 CO 0.02 0.25 -0.00 0.00 -1.07 0.00 0.00 179.97 179.17 1c3y h ALA 50 N 0.85 1.94 -0.12 0.04 0.00 -0.92 -3.46 119.26 117.58 1c3y h ALA 50 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1c3y h ALA 50 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1c3y h ALA 50 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1c3y n GLY 51 N -1.51 1.21 0.10 0.00 0.00 -0.90 -5.00 105.19 99.10 1c3y n GLY 51 Ca -0.03 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.92 0.45 -4.47 1.61 3.72 -0.96 -4.95 117.46 110.94 1c3y n PHE 52 Ca 0.00 0.14 -0.21 0.00 -0.05 0.00 0.00 57.45 57.33 1c3y n PHE 52 Cb 0.21 -1.08 -0.14 0.00 -0.94 0.00 0.00 39.48 37.54 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 1.16 0.34 4.37 2.07 -1.24 -3.49 121.20 121.87 1c3y s ILE 53 Ca -0.13 -0.88 -0.07 0.00 -1.41 0.00 0.00 60.65 58.16 1c3y s ILE 53 Cb 0.07 -1.02 -0.06 0.00 0.13 0.00 0.00 42.46 41.59 1c3y s ILE 53 CO 0.79 0.12 0.64 1.51 -1.91 0.00 0.00 174.94 176.10 1c3y s ASP 54 N -0.87 6.46 0.64 4.50 1.47 -1.24 -4.34 116.67 123.29 1c3y s ASP 54 Ca 0.03 0.86 0.32 0.00 1.18 0.00 0.00 52.55 54.94 1c3y s ASP 54 Cb -0.07 -2.21 1.72 0.00 -0.34 0.00 0.00 42.92 42.02 1c3y s ASP 54 CO 0.01 -0.28 2.00 0.00 0.68 0.00 0.00 175.17 177.58 1c3y h ALA 55 N 1.46 1.48 -0.34 2.11 0.00 -1.96 0.56 119.26 122.57 1c3y h ALA 55 Ca -0.47 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1c3y h ALA 55 Cb 1.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1c3y h ALA 55 CO 0.65 -0.34 0.05 0.45 0.00 0.00 0.00 179.25 180.06 1c3y n SER 56 N -3.17 3.55 -2.72 0.00 2.88 -1.26 -4.96 113.62 107.94 1c3y n SER 56 Ca -0.00 -2.56 -0.02 0.00 -1.33 0.00 0.00 58.87 54.96 1c3y n SER 56 Cb 0.37 -0.61 -0.02 0.00 -0.75 0.00 0.00 64.21 63.20 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 0.24 -4.22 3.15 0.46 0.00 0.19 -5.05 105.19 99.95 1c3y n GLY 57 Ca 0.17 0.96 0.04 0.00 0.00 0.00 0.00 46.02 47.20 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 -1.13 0.56 0.35 1.61 -6.30 -1.25 -4.95 118.70 107.59 1c3y s GLU 58 Ca -0.12 0.83 -0.28 0.00 -2.50 0.00 0.00 54.97 52.91 1c3y s GLU 58 Cb 0.01 0.44 -0.09 0.00 0.00 0.00 0.00 34.13 34.48 1c3y s GLU 58 CO 0.70 -0.78 1.24 -0.59 0.02 0.00 0.00 175.26 175.85 1c3y s PHE 59 N 2.85 3.11 -0.61 5.30 -0.12 -1.26 -3.66 117.98 123.59 1c3y s PHE 59 Ca 0.17 1.50 0.04 0.00 -0.05 0.00 0.00 56.93 58.59 1c3y s PHE 59 Cb -0.13 -3.54 0.16 0.00 -0.63 0.00 0.00 43.02 38.89 1c3y s PHE 59 CO -0.23 -1.53 0.43 -0.65 -0.05 0.00 0.00 175.22 173.19 1c3y s GLN 60 N -1.93 2.01 0.47 1.99 -1.52 -1.23 -4.93 119.66 114.53 1c3y s GLN 60 Ca 0.51 -2.94 0.26 0.00 -1.95 0.00 0.00 55.36 51.24 1c3y s GLN 60 Cb -0.36 -2.91 1.11 0.00 -0.22 0.00 0.00 33.01 30.63 1c3y s GLN 60 CO 0.47 -1.29 1.91 -0.07 -0.25 0.00 0.00 175.29 176.06 1c3y h LEU 61 N 5.62 0.00 -2.25 2.90 3.38 -1.94 -2.85 115.31 120.17 1c3y h LEU 61 Ca 0.14 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1c3y h LEU 61 Cb 0.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1c3y h LEU 61 CO 0.63 0.18 0.12 0.44 0.09 0.00 0.00 178.44 179.89 1c3y h ASP 62 N 0.00 0.00 0.03 -0.43 5.19 -1.99 0.23 116.42 119.45 1c3y h ASP 62 Ca -0.00 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.04 1c3y h ASP 62 Cb 0.61 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.06 1c3y h ASP 62 CO 0.02 0.00 -2.35 1.57 -3.12 0.00 0.00 179.24 175.36 1c3y n HIS 63 N -3.99 0.08 -0.04 4.55 -0.00 -1.09 -4.20 115.22 110.53 1c3y n HIS 63 Ca -0.00 0.03 -0.13 0.00 0.46 0.00 0.00 57.72 58.07 1c3y n HIS 63 Cb 0.23 -1.01 -0.08 0.00 -0.12 0.00 0.00 29.99 29.00 1c3y n HIS 63 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1c3y h ILE 64 N 0.00 1.37 -0.79 3.57 2.04 -1.21 -2.98 117.51 119.52 1c3y h ILE 64 Ca -0.53 -1.29 0.11 0.00 1.00 0.00 0.00 64.86 64.15 1c3y h ILE 64 Cb 2.19 2.01 -0.08 0.00 -0.74 0.00 0.00 36.82 40.20 1c3y h ILE 64 CO 0.02 0.36 0.41 0.07 0.00 0.00 0.00 178.15 179.01 1c3y h LYS 65 N -0.19 0.64 -0.72 2.37 2.10 -0.79 -0.71 116.57 119.27 1c3y h LYS 65 Ca 0.01 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 1c3y h LYS 65 Cb 0.63 -0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 31.79 1c3y h LYS 65 CO 0.03 0.42 0.39 1.15 -2.00 0.00 0.00 179.45 179.44 1c3y h THR 66 N 0.66 1.22 -0.24 0.07 2.02 -1.72 -0.19 112.91 114.73 1c3y h THR 66 Ca 0.40 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1c3y h THR 66 Cb 0.46 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1c3y h THR 66 CO -0.29 0.25 0.06 0.11 0.37 0.00 0.00 175.52 176.01 1c3y h LYS 67 N 1.00 0.39 0.00 6.66 1.79 -1.10 -0.92 116.57 124.39 1c3y h LYS 67 Ca 0.25 -0.10 -0.03 0.00 -2.18 0.00 0.00 60.65 58.59 1c3y h LYS 67 Cb 0.05 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1c3y h LYS 67 CO -0.04 0.50 -0.16 0.74 -1.08 0.00 0.00 179.45 179.41 1c3y h PHE 68 N 0.22 0.00 0.03 -1.35 -1.00 -1.00 -3.16 116.94 110.67 1c3y h PHE 68 Ca 0.08 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 1c3y h PHE 68 Cb 0.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.85 1c3y h PHE 68 CO 0.01 0.16 -0.19 -0.22 -1.61 0.00 0.00 178.31 176.46 1c3y h LYS 69 N 0.00 0.09 -6.61 1.51 1.63 -0.70 -3.40 116.57 109.09 1c3y h LYS 69 Ca -0.00 -0.13 -0.58 0.00 -0.85 0.00 0.00 60.65 59.09 1c3y h LYS 69 Cb 0.56 0.04 0.08 0.00 -0.60 0.00 0.00 32.23 32.32 1c3y h LYS 69 CO 0.02 1.01 0.64 -0.85 -3.45 0.00 0.00 179.45 176.82 1c3y n GLU 70 N -4.51 2.11 -1.66 1.90 0.28 -0.38 -0.88 120.64 117.49 1c3y n GLU 70 Ca -0.11 0.75 -0.20 0.00 -0.16 0.00 0.00 57.16 57.45 1c3y n GLU 70 Cb 0.54 -2.42 -0.08 0.00 1.43 0.00 0.00 31.44 30.91 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 2.13 -5.25 -4.81 -1.84 4.13 -1.26 -4.95 115.26 103.42 1c3y n ASN 71 Ca 0.11 0.44 -0.37 0.00 1.68 0.00 0.00 54.58 56.44 1c3y n ASN 71 Cb 0.32 -4.63 -0.06 0.00 -1.54 0.00 0.00 39.78 33.87 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 -2.61 7.13 -0.88 6.41 0.15 -0.06 -4.99 113.70 118.86 1c3y s SER 72 Ca 0.00 1.42 -0.25 0.00 0.70 0.00 0.00 55.95 57.83 1c3y s SER 72 Cb 0.00 -2.42 0.01 0.00 -1.71 0.00 0.00 66.02 61.90 1c3y s SER 72 CO 0.00 0.14 1.58 -1.61 1.20 0.00 0.00 173.24 174.55 1c3y s GLU 73 N -1.57 3.13 -0.66 5.44 8.01 -1.26 -4.03 118.70 127.76 1c3y s GLU 73 Ca 0.38 -0.50 -0.03 0.00 0.01 0.00 0.00 54.97 54.83 1c3y s GLU 73 Cb -0.19 -4.90 0.00 0.00 -4.31 0.00 0.00 34.13 24.73 1c3y s GLU 73 CO 0.22 -2.54 0.65 0.72 0.01 0.00 0.00 175.26 174.32 1c3y n HIS 74 N 10.70 -2.95 -2.32 1.61 8.25 -1.26 -4.96 115.22 124.29 1c3y n HIS 74 Ca 0.26 1.14 -0.37 0.00 -0.26 0.00 0.00 57.72 58.49 1c3y n HIS 74 Cb 0.50 -4.01 -0.01 0.00 1.12 0.00 0.00 29.99 27.59 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 -2.92 3.79 0.00 -0.41 0.04 -1.26 -4.76 135.00 129.49 1c3y s PRO 75 Ca 0.04 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1c3y s PRO 75 Cb -0.01 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1c3y s PRO 75 CO 0.72 -0.50 0.00 -0.85 0.04 0.00 0.00 177.00 176.41 1c3y n GLU 76 N -0.51 0.00 0.04 4.56 0.28 -1.26 -4.96 120.64 118.79 1c3y n GLU 76 Ca 0.07 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.19 1c3y n GLU 76 Cb 0.49 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.45 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 0.00 0.30 -0.03 3.44 5.02 -1.26 -4.26 118.16 121.37 1c3y n LYS 77 Ca 0.00 0.04 -0.09 0.00 -2.02 0.00 0.00 58.31 56.24 1c3y n LYS 77 Cb 0.00 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.34 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 0.00 0.79 -0.63 -0.18 2.07 -1.95 0.42 116.25 116.78 1c3y h VAL 78 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1c3y h VAL 78 Cb 0.75 0.79 -0.09 0.00 -1.52 0.00 0.00 31.29 31.21 1c3y h VAL 78 CO 0.00 0.00 0.12 -2.24 0.02 0.00 0.00 177.57 175.47 1c3y h ASP 79 N -0.03 -0.04 -0.19 0.57 3.04 -1.91 0.88 116.42 118.74 1c3y h ASP 79 Ca 0.09 0.12 -0.17 0.00 -3.24 0.00 0.00 57.03 53.83 1c3y h ASP 79 Cb 0.16 0.18 0.00 0.00 -1.04 0.00 0.00 39.33 38.63 1c3y h ASP 79 CO -0.19 -0.02 -0.55 0.44 -2.04 0.00 0.00 179.24 176.88 1c3y h ASP 80 N 0.24 0.82 -0.43 4.15 3.32 -1.68 -3.05 116.42 119.79 1c3y h ASP 80 Ca 0.33 -0.58 -0.07 0.00 0.02 0.00 0.00 57.03 56.73 1c3y h ASP 80 Cb 0.52 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1c3y h ASP 80 CO -0.44 1.26 0.05 0.25 -1.72 0.00 0.00 179.24 178.63 1c3y h LEU 81 N 0.42 0.77 0.55 1.55 5.85 0.80 -0.98 115.31 124.26 1c3y h LEU 81 Ca -0.01 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1c3y h LEU 81 Cb 1.17 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 42.00 1c3y h LEU 81 CO 0.12 0.80 -0.26 0.58 -0.34 0.00 0.00 178.44 179.34 1c3y h VAL 82 N 0.76 0.45 -0.55 1.05 2.07 0.74 0.89 116.25 121.67 1c3y h VAL 82 Ca 0.16 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 1c3y h VAL 82 Cb 0.40 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1c3y h VAL 82 CO 0.01 0.01 0.17 0.00 0.02 0.00 0.00 177.57 177.78 1c3y h ALA 83 N -0.33 1.27 0.00 1.67 0.00 -1.48 0.86 119.26 121.24 1c3y h ALA 83 Ca -0.08 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 1c3y h ALA 83 Cb 0.58 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1c3y h ALA 83 CO 0.12 0.52 -0.76 -0.22 0.00 0.00 0.00 179.25 178.91 1c3y h LYS 84 N 0.80 0.00 0.05 0.00 1.63 -1.01 -3.29 116.57 114.74 1c3y h LYS 84 Ca 0.18 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.67 1c3y h LYS 84 Cb 0.23 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.83 1c3y h LYS 84 CO -0.01 0.76 -1.73 0.00 -3.45 0.00 0.00 179.45 175.02 1c3y n ALA 86 N -2.67 4.48 -1.86 0.00 0.00 0.29 -4.45 120.51 116.31 1c3y n ALA 86 Ca -0.20 -1.20 -0.41 0.00 0.00 0.00 0.00 53.44 51.62 1c3y n ALA 86 Cb 1.05 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.59 2.58 -0.03 0.00 -7.23 -1.25 -4.90 120.40 107.98 1c3y s VAL 87 Ca 0.23 0.50 -0.30 0.00 -1.81 0.00 0.00 61.98 60.60 1c3y s VAL 87 Cb 0.18 -3.32 -0.07 0.00 0.56 0.00 0.00 36.38 33.74 1c3y s VAL 87 CO 0.01 0.08 1.80 -1.59 -0.31 0.00 0.00 175.10 175.09 1c3y s LYS 88 N -0.49 4.10 0.19 4.82 -2.85 -1.26 -4.93 119.74 119.33 1c3y s LYS 88 Ca 0.59 2.32 0.03 0.00 -1.00 0.00 0.00 55.97 57.91 1c3y s LYS 88 Cb -0.42 -4.07 0.03 0.00 -2.06 0.00 0.00 37.83 31.31 1c3y s LYS 88 CO 0.45 -0.96 0.27 1.63 0.10 0.00 0.00 175.35 176.83 1c3y n LYS 89 N 7.38 0.82 0.24 1.78 4.76 -1.26 -4.99 118.16 126.90 1c3y n LYS 89 Ca 0.19 -0.99 0.07 0.00 -2.87 0.00 0.00 58.31 54.71 1c3y n LYS 89 Cb 0.42 -0.09 0.59 0.00 -1.84 0.00 0.00 35.03 34.11 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 -5.13 4.39 2.03 -2.01 -3.44 116.42 112.28 1c3y h ASP 90 Ca -0.09 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.09 1c3y h ASP 90 Cb 0.40 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 38.73 1c3y h ASP 90 CO 0.12 0.10 -0.57 0.42 -1.03 0.00 0.00 179.24 178.28 1c3y s THR 91 N -4.79 0.16 0.01 1.15 -4.23 -1.26 -5.08 115.64 101.60 1c3y s THR 91 Ca -0.04 -1.28 -0.22 0.00 -1.18 0.00 0.00 61.69 58.97 1c3y s THR 91 Cb 0.16 -1.05 -0.18 0.00 1.34 0.00 0.00 72.50 72.77 1c3y s THR 91 CO 0.67 -0.71 1.23 1.55 -0.54 0.00 0.00 174.62 176.83 1c3y h PRO 92 N 3.52 0.29 -0.03 3.99 0.13 -1.95 -2.98 132.00 134.97 1c3y h PRO 92 Ca -0.33 -0.20 0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1c3y h PRO 92 Cb 1.18 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1c3y h PRO 92 CO 0.54 0.81 0.03 -0.56 -0.23 0.00 0.00 178.00 178.59 1c3y h GLN 93 N -0.18 0.00 0.20 0.86 3.07 -1.96 -2.51 115.11 114.59 1c3y h GLN 93 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1c3y h GLN 93 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.37 1c3y h GLN 93 CO 0.05 0.00 -0.10 1.25 0.09 0.00 0.00 178.83 180.12 1c3y h HIS 94 N 0.00 -0.26 -0.93 0.06 2.76 -1.84 -3.18 115.15 111.77 1c3y h HIS 94 Ca 0.01 -0.01 0.27 0.00 -2.20 0.00 0.00 60.37 58.45 1c3y h HIS 94 Cb 0.08 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 1c3y h HIS 94 CO 0.00 0.13 0.80 0.66 -1.30 0.00 0.00 177.93 178.23 1c3y h SER 95 N -0.89 0.00 -0.76 3.26 4.64 -1.30 -0.53 113.55 117.98 1c3y h SER 95 Ca -0.03 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.41 1c3y h SER 95 Cb 0.50 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.51 1c3y h SER 95 CO 0.05 0.00 0.35 0.77 -0.87 0.00 0.00 176.83 177.13 1c3y h SER 96 N 0.00 0.41 0.63 4.97 4.64 -1.47 0.87 113.55 123.60 1c3y h SER 96 Ca 0.44 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.82 1c3y h SER 96 Cb 2.05 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 1c3y h SER 96 CO -0.00 0.20 -0.35 0.00 -0.87 0.00 0.00 176.83 175.81 1c3y h ALA 97 N 1.50 -1.21 -0.24 5.18 0.00 -1.25 -2.21 119.26 121.03 1c3y h ALA 97 Ca 0.40 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1c3y h ALA 97 Cb 0.52 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1c3y h ALA 97 CO -0.34 -1.16 0.13 -0.44 0.00 0.00 0.00 179.25 177.45 1c3y h ASP 98 N -0.90 0.28 -0.01 0.00 5.19 -1.64 0.20 116.42 119.55 1c3y h ASP 98 Ca -0.09 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1c3y h ASP 98 Cb 0.71 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 1c3y h ASP 98 CO 0.12 0.23 0.01 0.15 -3.12 0.00 0.00 179.24 176.63 1c3y h PHE 99 N 0.32 0.00 0.00 4.55 3.57 0.11 0.87 116.94 126.36 1c3y h PHE 99 Ca 0.09 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.44 1c3y h PHE 99 Cb 0.01 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1c3y h PHE 99 CO 0.00 0.00 -1.74 1.19 -2.23 0.00 0.00 178.31 175.54 1c3y n PHE 100 N -3.52 0.00 0.04 0.41 3.01 -0.15 -4.57 117.46 112.68 1c3y n PHE 100 Ca -0.03 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.26 1c3y n PHE 100 Cb 0.09 -0.49 -0.14 0.00 -0.01 0.00 0.00 39.48 38.93 1c3y n PHE 100 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1c3y h LYS 101 N 0.00 0.24 0.14 -1.08 1.57 -0.26 -3.32 116.57 113.86 1c3y h LYS 101 Ca -0.22 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.15 1c3y h LYS 101 Cb 1.36 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.81 1c3y h LYS 101 CO 0.01 1.08 -0.22 0.00 -0.57 0.00 0.00 179.45 179.75 1c3y h VAL 103 N -0.38 0.26 0.00 0.00 -1.51 -1.77 -3.16 116.25 109.68 1c3y h VAL 103 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1c3y h VAL 103 Cb 0.35 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1c3y h VAL 103 CO -0.07 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 177.68 1c3y n HIS 104 N -3.44 0.00 -2.60 5.19 -0.00 -0.65 -4.73 115.22 109.00 1c3y n HIS 104 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.31 1c3y n HIS 104 Cb 0.31 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.99 29.95 1c3y n HIS 104 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1c3y s ASP 105 N -2.71 6.31 -0.81 0.41 1.11 0.28 -4.96 116.67 116.30 1c3y s ASP 105 Ca 0.00 -0.20 -0.19 0.00 0.18 0.00 0.00 52.55 52.34 1c3y s ASP 105 Cb 0.00 -2.54 0.13 0.00 1.07 0.00 0.00 42.92 41.57 1c3y s ASP 105 CO 0.00 -1.62 0.98 0.54 1.18 0.00 0.00 175.17 176.25 1c3y s ASN 106 N 3.31 6.48 0.16 0.27 4.22 -1.26 -4.41 114.94 123.71 1c3y s ASN 106 Ca 0.38 -1.83 0.00 0.00 -2.14 0.00 0.00 52.86 49.27 1c3y s ASN 106 Cb -0.08 -2.36 0.00 0.00 1.28 0.00 0.00 41.25 40.09 1c3y s ASN 106 CO 0.20 -1.08 0.00 -1.14 -2.04 0.00 0.00 177.10 173.04 1c3y n ARG 107 N 6.39 0.00 0.00 3.55 3.00 -1.26 -5.20 116.66 123.13 1c3y n ARG 107 Ca 0.12 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 58.12 1c3y n ARG 107 Cb 0.47 0.00 0.79 0.00 0.00 0.00 0.00 32.46 33.72 1c3y n ARG 107 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06