#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 1.58 -4.27 2.62 2.02 -2.11 -3.46 112.91 109.29 1c3y h THR 2 Ca 0.00 -2.08 -0.50 0.00 0.77 0.00 0.00 66.41 64.60 1c3y h THR 2 Cb 0.00 2.94 0.06 0.00 -1.74 0.00 0.00 68.15 69.40 1c3y h THR 2 CO 0.00 0.52 0.38 -2.16 0.37 0.00 0.00 175.52 174.63 1c3y s PRO 3 N -2.40 3.47 0.27 6.66 0.04 -1.26 -5.05 135.00 136.72 1c3y s PRO 3 Ca -0.17 0.97 -0.10 0.00 0.04 0.00 0.00 61.00 61.74 1c3y s PRO 3 Cb -0.02 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1c3y s PRO 3 CO 0.62 -0.67 0.60 1.03 0.04 0.00 0.00 177.00 178.62 1c3y s ARG 4 N -4.56 3.82 -0.03 4.56 1.81 -1.26 -5.02 118.95 118.27 1c3y s ARG 4 Ca 0.59 0.33 -0.20 0.00 -1.72 0.00 0.00 55.73 54.73 1c3y s ARG 4 Cb -0.13 -2.58 -0.14 0.00 -0.45 0.00 0.00 34.95 31.65 1c3y s ARG 4 CO 0.44 0.25 0.89 0.93 -0.68 0.00 0.00 175.30 177.12 1c3y h GLU 5 N 2.29 -0.37 -5.32 3.54 5.08 -1.99 -3.39 114.58 114.41 1c3y h GLU 5 Ca -0.47 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1c3y h GLU 5 Cb 1.17 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1c3y h GLU 5 CO 0.68 -0.04 0.04 -1.59 -1.00 0.00 0.00 179.01 177.09 1c3y s LYS 6 N -3.71 1.55 -0.10 2.33 -2.85 -1.26 -4.52 119.74 111.18 1c3y s LYS 6 Ca -0.12 0.33 0.05 0.00 -1.00 0.00 0.00 55.97 55.23 1c3y s LYS 6 Cb 0.01 -4.82 -0.10 0.00 -2.06 0.00 0.00 37.83 30.86 1c3y s LYS 6 CO 0.42 -4.60 -0.02 -0.11 0.10 0.00 0.00 175.35 171.13 1c3y n LEU 7 N 18.78 1.20 -2.48 2.77 7.94 -1.26 -5.11 117.00 138.84 1c3y n LEU 7 Ca 0.46 -0.02 -0.04 0.00 -1.11 0.00 0.00 56.01 55.29 1c3y n LEU 7 Cb 0.44 -0.03 -0.03 0.00 0.53 0.00 0.00 43.42 44.32 1c3y n LEU 7 CO 0.55 0.41 -0.61 0.29 -1.11 0.00 0.00 177.39 176.92 1c3y n LYS 8 N -2.53 -4.60 -3.68 1.96 4.76 -1.26 -5.01 118.16 107.80 1c3y n LYS 8 Ca -0.17 3.44 -0.30 0.00 -2.87 0.00 0.00 58.31 58.42 1c3y n LYS 8 Cb 0.76 -4.83 -0.13 0.00 -1.84 0.00 0.00 35.03 28.99 1c3y n LYS 8 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1c3y s GLN 9 N -0.69 1.00 -0.15 1.97 -0.21 -1.26 -4.98 119.66 115.34 1c3y s GLN 9 Ca -0.21 -1.62 -0.12 0.00 0.02 0.00 0.00 55.36 53.43 1c3y s GLN 9 Cb 0.01 -2.06 -0.08 0.00 1.00 0.00 0.00 33.01 31.88 1c3y s GLN 9 CO 0.57 -1.12 -0.00 1.25 -2.12 0.00 0.00 175.29 173.86 1c3y h HIS 10 N 7.17 0.00 -0.08 0.91 2.76 -2.06 -3.45 115.15 120.40 1c3y h HIS 10 Ca -0.04 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 57.94 1c3y h HIS 10 Cb 0.96 0.00 -0.19 0.00 1.55 0.00 0.00 27.41 29.73 1c3y h HIS 10 CO 0.44 0.43 -0.42 0.43 -1.30 0.00 0.00 177.93 177.52 1c3y n SER 11 N -4.59 -1.09 -4.58 3.26 7.64 -1.26 -5.06 113.62 107.94 1c3y n SER 11 Ca -0.13 -2.26 -0.16 0.00 1.01 0.00 0.00 58.87 57.34 1c3y n SER 11 Cb 0.35 0.57 -0.10 0.00 -1.01 0.00 0.00 64.21 64.01 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 -1.53 3.64 0.00 6.43 -4.77 -1.26 -1.82 116.67 117.37 1c3y s ASP 12 Ca 0.14 -0.93 0.00 0.00 -3.30 0.00 0.00 52.55 48.47 1c3y s ASP 12 Cb 0.43 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.66 1c3y s ASP 12 CO -0.11 -4.50 0.00 0.00 0.70 0.00 0.00 175.17 171.27 1c3y n ALA 13 N 19.04 0.00 0.49 2.11 0.00 -1.26 -4.94 120.51 135.95 1c3y n ALA 13 Ca 0.42 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.99 1c3y n ALA 13 Cb 0.46 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.33 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 0.53 0.00 1.79 -1.91 -1.69 116.57 115.30 1c3y h LYS 15 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1c3y h LYS 15 Cb 0.66 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1c3y h LYS 15 CO 0.00 0.16 -0.31 0.00 -1.08 0.00 0.00 179.45 178.21 1c3y h ALA 16 N 1.84 -0.80 0.00 3.86 0.00 -1.86 -2.28 119.26 120.03 1c3y h ALA 16 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1c3y h ALA 16 Cb 0.81 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1c3y h ALA 16 CO 0.02 -0.96 -0.28 1.49 0.00 0.00 0.00 179.25 179.52 1c3y h GLU 17 N -0.80 0.00 0.00 0.00 4.81 -1.76 -3.43 114.58 113.40 1c3y h GLU 17 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1c3y h GLU 17 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1c3y h GLU 17 CO 0.07 0.74 0.00 0.43 -0.73 0.00 0.00 179.01 179.53 1c3y n SER 18 N -4.61 0.00 0.00 1.04 7.64 -0.64 -4.78 113.62 112.28 1c3y n SER 18 Ca -0.12 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1c3y n SER 18 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 1.48 1.16 0.44 0.23 0.00 -0.86 -4.73 105.19 102.90 1c3y n GLY 19 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -0.14 -0.15 1.61 3.14 -1.26 -4.92 118.33 116.61 1c3y n VAL 20 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1c3y n VAL 20 Cb 0.00 -0.35 0.00 0.00 -1.06 0.00 0.00 33.84 32.43 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 1.22 -1.34 -2.95 6.55 3.41 -1.26 -4.82 113.62 114.43 1c3y n SER 21 Ca 0.00 -0.15 -0.32 0.00 -0.26 0.00 0.00 58.87 58.14 1c3y n SER 21 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.49 3.45 -0.01 4.33 2.13 -1.26 -4.30 120.64 123.49 1c3y n GLU 22 Ca 0.00 -2.66 -0.03 0.00 0.66 0.00 0.00 57.16 55.13 1c3y n GLU 22 Cb 0.00 -2.41 -0.01 0.00 0.27 0.00 0.00 31.44 29.29 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 1.72 0.19 0.05 5.31 4.07 -1.26 -4.37 120.64 126.34 1c3y n GLU 23 Ca 0.58 0.07 -0.05 0.00 -0.06 0.00 0.00 57.16 57.70 1c3y n GLU 23 Cb 0.42 -0.78 0.14 0.00 -0.06 0.00 0.00 31.44 31.16 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 -0.36 0.42 -0.89 4.31 0.02 -1.95 -2.79 113.55 112.31 1c3y h SER 24 Ca 0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1c3y h SER 24 Cb 0.36 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1c3y h SER 24 CO 0.00 0.83 0.56 -0.07 -1.14 0.00 0.00 176.83 177.02 1c3y h LEU 25 N 0.31 1.04 -0.73 5.07 -0.00 -1.85 -2.05 115.31 117.11 1c3y h LEU 25 Ca 0.02 -0.05 -0.09 0.00 -0.00 0.00 0.00 57.88 57.76 1c3y h LEU 25 Cb 0.96 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 41.33 1c3y h LEU 25 CO 0.08 0.78 -0.02 0.78 -0.00 0.00 0.00 178.44 180.06 1c3y h ASN 26 N 1.21 0.93 0.01 -0.43 2.35 -1.72 -2.30 115.58 115.64 1c3y h ASN 26 Ca 0.32 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1c3y h ASN 26 Cb -0.10 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.02 1c3y h ASN 26 CO -0.07 1.00 -0.01 0.11 -1.65 0.00 0.00 177.43 176.81 1c3y h LYS 27 N 0.88 0.00 0.00 0.81 1.57 -1.12 -0.68 116.57 118.03 1c3y h LYS 27 Ca 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1c3y h LYS 27 Cb 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1c3y h LYS 27 CO 0.03 0.01 -0.03 0.28 -0.57 0.00 0.00 179.45 179.17 1c3y h VAL 28 N 0.00 0.96 -0.42 0.50 2.07 -0.90 -1.35 116.25 117.11 1c3y h VAL 28 Ca -0.00 -0.10 0.10 0.00 0.82 0.00 0.00 66.70 67.51 1c3y h VAL 28 Cb 0.02 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1c3y h VAL 28 CO 0.00 0.03 0.29 0.03 0.02 0.00 0.00 177.57 177.94 1c3y h ARG 29 N 0.00 0.12 -6.16 1.57 3.08 -1.20 -3.43 114.38 108.37 1c3y h ARG 29 Ca -0.00 -0.01 -0.50 0.00 0.07 0.00 0.00 59.98 59.54 1c3y h ARG 29 Cb 0.05 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1c3y h ARG 29 CO 0.00 0.08 -0.38 1.21 -1.07 0.00 0.00 179.97 179.82 1c3y s ASN 30 N -6.45 5.01 -1.16 7.04 3.84 -0.51 -4.91 114.94 117.80 1c3y s ASN 30 Ca -0.06 -0.77 -0.17 0.00 0.21 0.00 0.00 52.86 52.07 1c3y s ASN 30 Cb 0.19 -0.55 -0.05 0.00 -0.55 0.00 0.00 41.25 40.29 1c3y s ASN 30 CO 0.72 -0.66 2.12 -1.14 -2.79 0.00 0.00 177.10 175.35 1c3y n ARG 31 N -1.54 2.28 -3.43 0.43 0.63 -1.26 -4.72 116.66 109.05 1c3y n ARG 31 Ca 0.03 -2.24 -0.22 0.00 -0.92 0.00 0.00 57.85 54.51 1c3y n ARG 31 Cb 0.62 -3.10 -0.11 0.00 0.45 0.00 0.00 32.46 30.32 1c3y n ARG 31 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1c3y s GLU 32 N 3.95 0.42 0.58 -0.14 0.41 -1.26 -5.14 118.70 117.53 1c3y s GLU 32 Ca 0.52 -0.64 -0.16 0.00 -0.41 0.00 0.00 54.97 54.27 1c3y s GLU 32 Cb 0.14 -0.90 -0.04 0.00 -1.78 0.00 0.00 34.13 31.55 1c3y s GLU 32 CO 0.00 -1.11 1.06 -1.21 -0.49 0.00 0.00 175.26 173.51 1c3y s GLU 33 N 1.81 3.36 -0.01 1.61 2.02 -1.26 -4.46 118.70 121.77 1c3y s GLU 33 Ca 0.13 1.25 0.01 0.00 0.02 0.00 0.00 54.97 56.38 1c3y s GLU 33 Cb -0.16 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.03 1c3y s GLU 33 CO -0.19 -0.78 -0.03 0.14 0.02 0.00 0.00 175.26 174.41 1c3y s VAL 34 N -2.36 0.25 -1.33 2.63 -7.23 -1.26 -5.05 120.40 106.05 1c3y s VAL 34 Ca 0.64 -0.11 -0.06 0.00 -1.81 0.00 0.00 61.98 60.64 1c3y s VAL 34 Cb -0.17 -0.23 0.12 0.00 0.56 0.00 0.00 36.38 36.66 1c3y s VAL 34 CO 0.35 0.08 2.30 -0.90 -0.31 0.00 0.00 175.10 176.62 1c3y n ASP 35 N 3.15 7.46 -4.65 4.85 5.75 -1.26 -4.94 116.55 126.91 1c3y n ASP 35 Ca -0.14 -3.12 -0.35 0.00 -0.01 0.00 0.00 54.79 51.17 1c3y n ASP 35 Cb 0.58 -1.39 -0.10 0.00 -1.03 0.00 0.00 41.12 39.18 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 0.53 5.56 -0.05 -1.12 1.01 -1.26 -5.02 116.67 116.31 1c3y s ASP 36 Ca 0.52 0.11 -0.25 0.00 0.71 0.00 0.00 52.55 53.64 1c3y s ASP 36 Cb 0.17 -1.88 -0.20 0.00 1.01 0.00 0.00 42.92 42.02 1c3y s ASP 36 CO -0.07 0.23 1.04 1.55 0.21 0.00 0.00 175.17 178.13 1c3y h PRO 37 N 6.29 -0.08 -0.57 8.23 0.13 -2.00 -3.21 132.00 140.80 1c3y h PRO 37 Ca -0.40 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 64.90 1c3y h PRO 37 Cb 1.18 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1c3y h PRO 37 CO 0.66 0.48 0.43 0.87 -0.23 0.00 0.00 178.00 180.22 1c3y h LYS 38 N -0.71 0.00 0.68 0.86 1.57 -1.86 0.51 116.57 117.62 1c3y h LYS 38 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1c3y h LYS 38 Cb 0.59 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1c3y h LYS 38 CO 0.01 0.00 -0.33 1.25 -0.57 0.00 0.00 179.45 179.82 1c3y h LEU 39 N 0.00 -0.77 -1.14 2.94 6.46 -1.90 0.65 115.31 121.54 1c3y h LEU 39 Ca 0.27 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 58.01 1c3y h LEU 39 Cb 1.13 0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 41.24 1c3y h LEU 39 CO -0.00 -0.46 0.09 0.11 -0.62 0.00 0.00 178.44 177.56 1c3y h LYS 40 N -1.09 0.69 0.52 1.25 1.57 -1.42 -2.50 116.57 115.59 1c3y h LYS 40 Ca -0.09 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1c3y h LYS 40 Cb 0.70 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.90 1c3y h LYS 40 CO 0.15 0.65 -0.25 1.49 -0.57 0.00 0.00 179.45 180.92 1c3y h GLU 41 N 0.67 -0.67 -0.28 3.15 4.57 0.05 -2.87 114.58 119.21 1c3y h GLU 41 Ca 0.15 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.44 1c3y h GLU 41 Cb 0.28 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 28.95 1c3y h GLU 41 CO 0.00 -0.37 -0.25 1.25 -1.18 0.00 0.00 179.01 178.46 1c3y h HIS 42 N -0.89 -0.67 -0.81 0.92 2.76 0.42 -1.85 115.15 115.03 1c3y h HIS 42 Ca -0.07 0.04 0.16 0.00 -2.20 0.00 0.00 60.37 58.30 1c3y h HIS 42 Cb 0.60 0.34 -0.10 0.00 1.55 0.00 0.00 27.41 29.80 1c3y h HIS 42 CO -0.00 -0.33 0.35 0.00 -1.30 0.00 0.00 177.93 176.65 1c3y h ALA 43 N 0.82 1.19 -0.98 5.26 0.00 -1.49 0.14 119.26 124.20 1c3y h ALA 43 Ca 0.15 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.27 1c3y h ALA 43 Cb 0.47 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1c3y h ALA 43 CO -0.42 -0.22 0.62 0.35 0.00 0.00 0.00 179.25 179.58 1c3y h PHE 44 N 0.47 1.13 0.00 0.00 3.57 -1.10 0.18 116.94 121.19 1c3y h PHE 44 Ca 0.46 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.99 1c3y h PHE 44 Cb 0.74 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1c3y h PHE 44 CO -0.15 0.51 -0.01 0.00 -2.23 0.00 0.00 178.31 176.43 1c3y n ILE 46 N -3.12 1.77 -0.34 0.00 2.08 0.45 -3.77 119.36 116.42 1c3y n ILE 46 Ca -0.01 -0.65 -0.02 0.00 0.56 0.00 0.00 62.75 62.64 1c3y n ILE 46 Cb 0.23 -1.73 0.11 0.00 -0.75 0.00 0.00 39.64 37.50 1c3y n ILE 46 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1c3y h LEU 47 N 0.05 1.04 -1.51 1.39 -0.00 -0.86 0.91 115.31 116.33 1c3y h LEU 47 Ca -0.43 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.38 1c3y h LEU 47 Cb 2.02 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 42.42 1c3y h LEU 47 CO 0.08 0.74 -0.25 0.50 -0.00 0.00 0.00 178.44 179.51 1c3y h LYS 48 N 1.22 0.00 0.00 1.13 3.64 -1.65 -2.81 116.57 118.10 1c3y h LYS 48 Ca 0.35 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.44 1c3y h LYS 48 Cb -0.08 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 1c3y h LYS 48 CO -0.09 0.25 -1.71 0.54 -2.27 0.00 0.00 179.45 176.16 1c3y n ARG 49 N -4.22 0.63 0.23 1.90 5.12 -0.53 -3.98 116.66 115.81 1c3y n ARG 49 Ca -0.02 0.30 0.12 0.00 -1.93 0.00 0.00 57.85 56.32 1c3y n ARG 49 Cb 0.30 -1.79 0.73 0.00 -1.16 0.00 0.00 32.46 30.54 1c3y n ARG 49 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1c3y h ALA 50 N 1.00 1.92 -0.03 7.54 0.00 0.11 -3.46 119.26 126.34 1c3y h ALA 50 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1c3y h ALA 50 Cb 2.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1c3y h ALA 50 CO 0.08 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1c3y n GLY 51 N -1.48 1.60 0.84 0.00 0.00 -1.15 -5.02 105.19 99.98 1c3y n GLY 51 Ca -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.35 0.00 -2.72 1.61 3.72 -1.16 -5.03 117.46 112.54 1c3y n PHE 52 Ca 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 1c3y n PHE 52 Cb 0.09 -0.11 0.09 0.00 -0.94 0.00 0.00 39.48 38.61 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 -2.19 2.16 0.21 4.37 2.07 -1.16 -3.69 121.20 122.97 1c3y s ILE 53 Ca -0.06 -0.71 -0.04 0.00 -1.41 0.00 0.00 60.65 58.42 1c3y s ILE 53 Cb 0.01 -2.44 -0.03 0.00 0.13 0.00 0.00 42.46 40.12 1c3y s ILE 53 CO 0.09 0.00 0.22 1.51 -1.91 0.00 0.00 174.94 174.86 1c3y s ASP 54 N -4.71 0.09 0.64 4.50 -4.77 -1.26 -4.43 116.67 106.73 1c3y s ASP 54 Ca 0.65 -1.26 0.28 0.00 -3.30 0.00 0.00 52.55 48.92 1c3y s ASP 54 Cb -0.05 0.43 1.50 0.00 -1.09 0.00 0.00 42.92 43.71 1c3y s ASP 54 CO 0.43 -0.92 1.87 0.00 0.70 0.00 0.00 175.17 177.24 1c3y h ALA 55 N 2.53 1.65 0.00 2.11 0.00 -1.97 0.27 119.26 123.85 1c3y h ALA 55 Ca -0.33 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 1c3y h ALA 55 Cb 1.25 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1c3y h ALA 55 CO 0.48 -0.50 -1.30 1.03 0.00 0.00 0.00 179.25 178.96 1c3y h SER 56 N 0.00 0.00 0.00 0.00 0.87 -2.04 -3.48 113.55 108.89 1c3y h SER 56 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1c3y h SER 56 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1c3y h SER 56 CO -0.00 0.61 0.00 0.61 -0.53 0.00 0.00 176.83 177.52 1c3y n GLY 57 N 1.38 1.80 3.58 5.77 0.00 0.96 -4.89 105.19 113.79 1c3y n GLY 57 Ca -0.08 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.22 3.62 0.09 1.61 2.12 -1.26 -4.83 118.70 118.83 1c3y s GLU 58 Ca 0.00 0.36 -0.31 0.00 0.36 0.00 0.00 54.97 55.38 1c3y s GLU 58 Cb 0.00 -3.94 -0.08 0.00 0.26 0.00 0.00 34.13 30.37 1c3y s GLU 58 CO 0.00 -1.39 1.49 -0.59 -0.54 0.00 0.00 175.26 174.23 1c3y s PHE 59 N 4.30 2.95 -0.67 5.30 -0.12 -1.26 -4.12 117.98 124.36 1c3y s PHE 59 Ca 0.43 0.72 0.05 0.00 -0.05 0.00 0.00 56.93 58.08 1c3y s PHE 59 Cb -0.08 -3.79 0.25 0.00 -0.63 0.00 0.00 43.02 38.77 1c3y s PHE 59 CO 0.29 -2.94 0.80 1.04 -0.05 0.00 0.00 175.22 174.35 1c3y n GLN 60 N 4.59 2.66 0.20 1.99 1.13 -1.24 -4.86 117.38 121.85 1c3y n GLN 60 Ca 0.13 -4.67 0.08 0.00 -1.94 0.00 0.00 57.00 50.61 1c3y n GLN 60 Cb 0.41 -2.28 0.36 0.00 0.11 0.00 0.00 30.24 28.84 1c3y n GLN 60 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1c3y h LEU 61 N 4.30 0.00 -2.02 1.08 -0.00 -1.92 -2.85 115.31 113.90 1c3y h LEU 61 Ca 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.07 1c3y h LEU 61 Cb 0.66 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1c3y h LEU 61 CO 0.87 0.28 -0.03 -0.78 -0.00 0.00 0.00 178.44 178.78 1c3y h ASP 62 N 0.00 0.00 0.35 -0.43 3.58 -2.00 0.21 116.42 118.12 1c3y h ASP 62 Ca -0.00 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.13 1c3y h ASP 62 Cb 0.89 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.90 1c3y h ASP 62 CO 0.04 0.03 -1.84 1.41 -2.88 0.00 0.00 179.24 176.00 1c3y n HIS 63 N -4.36 1.02 0.17 0.28 8.25 -1.13 -3.66 115.22 115.80 1c3y n HIS 63 Ca -0.03 0.31 -0.13 0.00 -0.26 0.00 0.00 57.72 57.61 1c3y n HIS 63 Cb 0.12 -1.17 -0.08 0.00 1.12 0.00 0.00 29.99 29.98 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 0.02 0.61 -0.67 1.59 2.04 -1.17 -2.50 117.51 117.43 1c3y h ILE 64 Ca -0.35 -0.59 0.12 0.00 1.00 0.00 0.00 64.86 65.04 1c3y h ILE 64 Cb 2.03 0.88 -0.09 0.00 -0.74 0.00 0.00 36.82 38.91 1c3y h ILE 64 CO 0.08 0.10 0.24 0.07 0.00 0.00 0.00 178.15 178.64 1c3y h LYS 65 N -0.82 0.38 -0.86 2.37 2.10 -0.81 -0.79 116.57 118.14 1c3y h LYS 65 Ca -0.05 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.60 1c3y h LYS 65 Cb 0.52 -0.09 -0.05 0.00 -0.90 0.00 0.00 32.23 31.72 1c3y h LYS 65 CO 0.08 0.25 0.56 1.15 -2.00 0.00 0.00 179.45 179.49 1c3y h THR 66 N 0.40 1.17 0.02 0.07 2.02 -1.62 0.91 112.91 115.88 1c3y h THR 66 Ca 0.36 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1c3y h THR 66 Cb 0.50 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1c3y h THR 66 CO -0.37 0.20 -0.01 0.11 0.37 0.00 0.00 175.52 175.82 1c3y h LYS 67 N 1.11 -0.03 0.00 6.66 1.79 -0.71 -1.07 116.57 124.32 1c3y h LYS 67 Ca 0.33 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.77 1c3y h LYS 67 Cb -0.04 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1c3y h LYS 67 CO -0.10 0.12 -0.15 0.74 -1.08 0.00 0.00 179.45 178.98 1c3y h PHE 68 N -0.18 0.00 0.12 -1.35 -1.00 -1.01 -3.27 116.94 110.25 1c3y h PHE 68 Ca -0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1c3y h PHE 68 Cb 0.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1c3y h PHE 68 CO -0.03 0.15 -0.06 -0.22 -1.61 0.00 0.00 178.31 176.55 1c3y h LYS 69 N 0.00 -0.15 -6.05 1.51 3.64 -0.41 -3.41 116.57 111.70 1c3y h LYS 69 Ca -0.00 0.01 -0.68 0.00 -1.27 0.00 0.00 60.65 58.71 1c3y h LYS 69 Cb 0.46 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1c3y h LYS 69 CO 0.02 -0.10 1.28 -0.85 -2.27 0.00 0.00 179.45 177.52 1c3y n GLU 70 N -3.25 1.17 -2.69 1.90 0.28 -0.44 -3.49 120.64 114.12 1c3y n GLU 70 Ca -0.02 0.36 -0.02 0.00 -0.16 0.00 0.00 57.16 57.33 1c3y n GLU 70 Cb 0.06 -2.38 -0.01 0.00 1.43 0.00 0.00 31.44 30.54 1c3y n GLU 70 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1c3y n ASN 71 N 8.52 -5.88 -1.77 -1.84 2.85 -1.26 -4.93 115.26 110.95 1c3y n ASN 71 Ca 0.37 1.42 -0.04 0.00 -0.11 0.00 0.00 54.58 56.22 1c3y n ASN 71 Cb 0.21 -5.35 0.03 0.00 1.24 0.00 0.00 39.78 35.90 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 0.99 -1.11 0.00 1.20 2.88 -1.23 -4.96 113.62 111.40 1c3y n SER 72 Ca -0.12 -1.94 0.00 0.00 -1.33 0.00 0.00 58.87 55.48 1c3y n SER 72 Cb 0.19 0.45 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1c3y n SER 72 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1c3y n GLU 73 N -0.72 0.00 -3.13 -1.46 2.13 -1.26 -3.98 120.64 112.22 1c3y n GLU 73 Ca -0.20 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.42 1c3y n GLU 73 Cb 0.75 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.41 1c3y n GLU 73 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1c3y n HIS 74 N 0.00 -1.53 -2.38 4.31 8.25 -1.26 -5.12 115.22 117.49 1c3y n HIS 74 Ca 0.00 -2.88 -0.42 0.00 -0.26 0.00 0.00 57.72 54.16 1c3y n HIS 74 Cb 0.00 0.42 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.17 4.36 0.00 -0.41 0.04 -1.26 -4.53 135.00 133.03 1c3y s PRO 75 Ca 0.33 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1c3y s PRO 75 Cb 0.11 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1c3y s PRO 75 CO -0.15 -0.41 0.00 -0.85 0.04 0.00 0.00 177.00 175.63 1c3y n GLU 76 N 4.76 0.00 0.12 4.56 0.28 -1.26 -4.96 120.64 124.14 1c3y n GLU 76 Ca 0.11 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.20 1c3y n GLU 76 Cb 0.46 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.36 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 0.15 3.44 1.57 -2.01 -3.37 116.57 116.35 1c3y h LYS 77 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1c3y h LYS 77 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1c3y h LYS 77 CO 0.00 0.07 -0.19 0.28 -0.57 0.00 0.00 179.45 179.03 1c3y h VAL 78 N 0.00 0.57 -0.63 0.50 2.07 -1.93 0.30 116.25 117.13 1c3y h VAL 78 Ca -0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.63 1c3y h VAL 78 Cb 1.10 0.57 -0.10 0.00 -1.52 0.00 0.00 31.29 31.33 1c3y h VAL 78 CO 0.01 0.00 0.02 -2.24 0.02 0.00 0.00 177.57 175.38 1c3y h ASP 79 N -0.39 -0.24 -0.41 0.57 3.04 -1.85 0.80 116.42 117.93 1c3y h ASP 79 Ca 0.01 0.15 -0.14 0.00 -3.24 0.00 0.00 57.03 53.81 1c3y h ASP 79 Cb 0.39 0.26 -0.01 0.00 -1.04 0.00 0.00 39.33 38.93 1c3y h ASP 79 CO -0.08 -0.10 -0.28 0.44 -2.04 0.00 0.00 179.24 177.18 1c3y h ASP 80 N 0.14 0.97 -0.32 4.15 5.19 -1.68 -3.00 116.42 121.87 1c3y h ASP 80 Ca 0.33 -0.39 -0.04 0.00 -0.62 0.00 0.00 57.03 56.31 1c3y h ASP 80 Cb 0.54 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1c3y h ASP 80 CO -0.52 1.18 0.06 -0.07 -3.12 0.00 0.00 179.24 176.77 1c3y h LEU 81 N 0.79 0.51 -1.71 1.55 4.07 0.14 -2.77 115.31 117.89 1c3y h LEU 81 Ca 0.09 -0.25 0.09 0.00 0.08 0.00 0.00 57.88 57.89 1c3y h LEU 81 Cb 0.85 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.43 1c3y h LEU 81 CO 0.08 0.63 0.35 0.58 -1.08 0.00 0.00 178.44 178.99 1c3y h VAL 82 N 0.36 0.91 0.66 1.22 2.07 0.55 0.82 116.25 122.84 1c3y h VAL 82 Ca 0.10 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1c3y h VAL 82 Cb 0.33 0.54 0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1c3y h VAL 82 CO 0.00 0.06 -0.32 0.00 0.02 0.00 0.00 177.57 177.34 1c3y h ALA 83 N 1.73 -1.19 0.00 1.67 0.00 -1.35 0.83 119.26 120.95 1c3y h ALA 83 Ca 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1c3y h ALA 83 Cb 0.48 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1c3y h ALA 83 CO -0.06 -1.13 0.00 -0.22 0.00 0.00 0.00 179.25 177.85 1c3y h LYS 84 N -0.92 0.00 0.08 0.00 3.64 -1.43 -3.21 116.57 114.73 1c3y h LYS 84 Ca -0.09 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.02 1c3y h LYS 84 Cb 0.68 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1c3y h LYS 84 CO 0.15 0.00 -1.41 0.00 -2.27 0.00 0.00 179.45 175.92 1c3y n ALA 86 N -3.09 4.00 -1.78 0.00 0.00 0.29 -4.37 120.51 115.56 1c3y n ALA 86 Ca -0.28 -1.11 -0.41 0.00 0.00 0.00 0.00 53.44 51.65 1c3y n ALA 86 Cb 0.84 -1.20 -0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.36 2.05 -0.00 0.00 -7.23 -1.21 -4.89 120.40 107.75 1c3y s VAL 87 Ca 0.21 0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 60.13 1c3y s VAL 87 Cb 0.18 -3.03 -0.07 0.00 0.56 0.00 0.00 36.38 34.02 1c3y s VAL 87 CO 0.03 0.01 1.68 -1.59 -0.31 0.00 0.00 175.10 174.92 1c3y s LYS 88 N -2.11 4.19 0.30 4.82 -2.85 -1.26 -4.91 119.74 117.91 1c3y s LYS 88 Ca 0.53 2.28 0.05 0.00 -1.00 0.00 0.00 55.97 57.82 1c3y s LYS 88 Cb -0.46 -3.88 0.05 0.00 -2.06 0.00 0.00 37.83 31.48 1c3y s LYS 88 CO 0.63 -0.82 0.39 1.63 0.10 0.00 0.00 175.35 177.29 1c3y n LYS 89 N 6.66 0.83 0.26 1.78 4.76 -1.26 -4.99 118.16 126.18 1c3y n LYS 89 Ca 0.17 -1.64 0.11 0.00 -2.87 0.00 0.00 58.31 54.08 1c3y n LYS 89 Cb 0.42 -0.09 0.69 0.00 -1.84 0.00 0.00 35.03 34.21 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 0.08 0.00 -5.12 4.39 2.03 -2.00 -3.44 116.42 112.36 1c3y h ASP 90 Ca -0.15 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.05 1c3y h ASP 90 Cb 0.65 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 38.99 1c3y h ASP 90 CO 0.21 0.13 -0.43 0.42 -1.03 0.00 0.00 179.24 178.54 1c3y s THR 91 N -4.25 0.14 -0.04 1.15 -4.23 -1.26 -5.08 115.64 102.07 1c3y s THR 91 Ca -0.03 -1.12 -0.25 0.00 -1.18 0.00 0.00 61.69 59.11 1c3y s THR 91 Cb 0.13 -1.14 -0.19 0.00 1.34 0.00 0.00 72.50 72.64 1c3y s THR 91 CO 0.60 -0.62 1.13 1.55 -0.54 0.00 0.00 174.62 176.75 1c3y h PRO 92 N 3.17 -0.08 -0.12 3.99 0.13 -1.88 -2.66 132.00 134.55 1c3y h PRO 92 Ca -0.33 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.84 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 0.53 0.43 0.17 -0.56 -0.23 0.00 0.00 178.00 178.34 1c3y h GLN 93 N -0.64 0.00 0.19 0.86 -0.00 -1.95 -1.87 115.11 111.71 1c3y h GLN 93 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1c3y h GLN 93 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.02 1c3y h GLN 93 CO 0.01 0.00 -0.09 1.25 -0.00 0.00 0.00 178.83 180.00 1c3y h HIS 94 N 0.00 -0.24 -1.15 0.06 2.76 -1.84 -3.28 115.15 111.46 1c3y h HIS 94 Ca 0.05 -0.01 0.33 0.00 -2.20 0.00 0.00 60.37 58.55 1c3y h HIS 94 Cb 0.40 0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.39 1c3y h HIS 94 CO 0.00 -0.15 0.86 0.66 -1.30 0.00 0.00 177.93 178.00 1c3y h SER 95 N -0.90 0.00 -0.96 3.26 4.64 -1.10 0.26 113.55 118.75 1c3y h SER 95 Ca -0.03 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.38 1c3y h SER 95 Cb 0.20 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.22 1c3y h SER 95 CO 0.04 0.00 0.62 0.28 -0.87 0.00 0.00 176.83 176.90 1c3y h SER 96 N 0.00 0.93 0.45 4.97 0.02 -1.41 0.82 113.55 119.33 1c3y h SER 96 Ca 0.54 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.50 1c3y h SER 96 Cb 2.25 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.62 1c3y h SER 96 CO -0.01 0.56 -0.25 0.00 -1.14 0.00 0.00 176.83 176.00 1c3y h ALA 97 N 1.51 -1.14 -0.35 3.77 0.00 -0.60 0.30 119.26 122.76 1c3y h ALA 97 Ca 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1c3y h ALA 97 Cb 0.31 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1c3y h ALA 97 CO -0.19 -1.10 0.22 -0.44 0.00 0.00 0.00 179.25 177.74 1c3y h ASP 98 N -0.65 0.40 -0.04 0.00 5.19 -1.61 -0.37 116.42 119.34 1c3y h ASP 98 Ca -0.06 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.29 1c3y h ASP 98 Cb 0.51 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1c3y h ASP 98 CO 0.08 0.30 -0.08 0.15 -3.12 0.00 0.00 179.24 176.58 1c3y h PHE 99 N 0.47 0.30 -0.96 4.55 3.57 0.90 0.84 116.94 126.61 1c3y h PHE 99 Ca 0.13 -0.03 -0.54 0.00 3.53 0.00 0.00 57.97 61.05 1c3y h PHE 99 Cb -0.03 -0.09 -0.30 0.00 2.79 0.00 0.00 35.95 38.32 1c3y h PHE 99 CO 0.00 0.37 0.66 0.34 -2.23 0.00 0.00 178.31 177.45 1c3y n PHE 100 N -4.30 3.01 0.00 0.41 7.35 0.10 -4.35 117.46 119.68 1c3y n PHE 100 Ca -0.00 -2.16 0.00 0.00 -0.76 0.00 0.00 57.45 54.53 1c3y n PHE 100 Cb 0.24 -1.05 0.00 0.00 0.35 0.00 0.00 39.48 39.02 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 -1.08 0.00 -0.28 -4.13 5.02 -0.72 -4.86 118.16 112.11 1c3y n LYS 101 Ca 0.59 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.97 1c3y n LYS 101 Cb 1.37 -0.03 0.24 0.00 -0.02 0.00 0.00 35.03 36.59 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 0.33 0.18 0.00 0.00 -1.51 -1.77 -3.23 116.25 110.25 1c3y h VAL 103 Ca 0.49 -0.49 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 1c3y h VAL 103 Cb 0.88 1.41 -0.00 0.00 -2.13 0.00 0.00 31.29 31.44 1c3y h VAL 103 CO -0.53 0.05 -0.25 0.45 -1.23 0.00 0.00 177.57 176.06 1c3y h HIS 104 N 0.00 0.00 -2.85 5.19 -0.00 -0.04 -3.43 115.15 114.02 1c3y h HIS 104 Ca -0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 60.37 59.82 1c3y h HIS 104 Cb 0.40 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.76 1c3y h HIS 104 CO 0.00 0.29 1.14 0.16 -0.00 0.00 0.00 177.93 179.52 1c3y s ASP 105 N -5.82 6.06 0.28 2.45 -4.77 -0.24 -4.93 116.67 109.70 1c3y s ASP 105 Ca -0.09 0.59 -0.02 0.00 -3.30 0.00 0.00 52.55 49.73 1c3y s ASP 105 Cb 0.01 -2.54 0.01 0.00 -1.09 0.00 0.00 42.92 39.31 1c3y s ASP 105 CO 0.22 -1.70 0.40 -0.46 0.70 0.00 0.00 175.17 174.33 1c3y n ASN 106 N 9.80 -1.13 -4.79 2.11 0.23 -1.26 -4.83 115.26 115.40 1c3y n ASN 106 Ca 0.16 -2.49 -0.22 0.00 -0.53 0.00 0.00 54.58 51.50 1c3y n ASN 106 Cb 0.49 2.09 -0.05 0.00 -2.08 0.00 0.00 39.78 40.23 1c3y n ASN 106 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1c3y s ARG 107 N -2.59 2.67 0.00 -3.83 0.52 -1.26 -5.17 118.95 109.28 1c3y s ARG 107 Ca 0.22 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 1c3y s ARG 107 Cb -0.01 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 33.06 1c3y s ARG 107 CO 0.16 0.26 0.00 0.45 0.02 0.00 0.00 175.30 176.19