#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6n s LYS 15 N 0.00 3.22 0.45 0.00 -0.14 -1.26 -5.10 119.74 116.92 3a6n s LYS 15 Ca 0.00 -0.27 -0.21 0.00 -1.36 0.00 0.00 55.97 54.13 3a6n s LYS 15 Cb 0.00 -3.00 -0.10 0.00 -1.68 0.00 0.00 37.83 33.05 3a6n s LYS 15 CO 0.00 0.74 0.99 0.95 -0.76 0.00 0.00 175.35 177.27 3a6n s THR 16 N -0.98 4.14 0.49 2.17 -4.23 -1.26 -4.93 115.64 111.05 3a6n s THR 16 Ca 0.15 1.33 0.22 0.00 -1.18 0.00 0.00 61.69 62.21 3a6n s THR 16 Cb -0.12 -3.54 0.27 0.00 1.34 0.00 0.00 72.50 70.46 3a6n s THR 16 CO 0.04 -0.29 2.11 0.03 -0.54 0.00 0.00 174.62 175.96 3a6n h ARG 17 N 1.75 0.00 -0.19 3.99 3.08 -1.98 -2.30 114.38 118.73 3a6n h ARG 17 Ca -0.49 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.54 3a6n h ARG 17 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 3a6n h ARG 17 CO 0.60 0.09 0.05 0.77 -1.07 0.00 0.00 179.97 180.42 3a6n h SER 18 N 0.00 0.28 -0.61 7.04 0.02 -1.86 0.15 113.55 118.58 3a6n h SER 18 Ca -0.00 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.68 3a6n h SER 18 Cb 0.20 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 3a6n h SER 18 CO 0.01 0.41 0.17 0.77 -1.14 0.00 0.00 176.83 177.05 3a6n h SER 19 N 0.12 0.90 -0.29 3.07 4.64 -1.62 0.69 113.55 121.06 3a6n h SER 19 Ca 0.06 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3a6n h SER 19 Cb 0.24 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3a6n h SER 19 CO -0.00 0.89 0.19 0.03 -0.87 0.00 0.00 176.83 177.07 3a6n h ARG 20 N 0.88 0.40 0.00 4.77 3.08 -1.31 -0.51 114.38 121.69 3a6n h ARG 20 Ca 0.19 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3a6n h ARG 20 Cb 0.32 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3a6n h ARG 20 CO -0.00 0.28 -0.34 0.00 -1.07 0.00 0.00 179.97 178.84 3a6n h ALA 21 N 1.79 0.78 -2.45 0.04 0.00 0.26 -3.48 119.26 116.21 3a6n h ALA 21 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3a6n h ALA 21 Cb -0.02 0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.81 3a6n h ALA 21 CO -0.02 0.00 -0.24 0.41 0.00 0.00 0.00 179.25 179.40 3a6n n GLY 22 N 1.29 0.33 3.36 0.00 0.00 0.20 -5.04 105.19 105.34 3a6n n GLY 22 Ca 0.04 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 3a6n n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a6n s LEU 23 N -3.11 2.37 -0.16 0.99 1.43 0.93 -5.00 118.68 116.13 3a6n s LEU 23 Ca 0.17 -0.79 -0.21 0.00 -1.03 0.00 0.00 54.13 52.27 3a6n s LEU 23 Cb -0.08 -1.05 -0.23 0.00 0.03 0.00 0.00 46.19 44.87 3a6n s LEU 23 CO 0.21 0.09 0.43 -0.61 0.23 0.00 0.00 176.35 176.70 3a6n h GLN 24 N 3.61 0.07 -6.88 1.70 5.75 -1.95 -3.38 115.11 114.03 3a6n h GLN 24 Ca -0.47 -0.12 -0.56 0.00 -0.15 0.00 0.00 58.65 57.35 3a6n h GLN 24 Cb 1.19 0.05 0.13 0.00 1.07 0.00 0.00 27.48 29.92 3a6n h GLN 24 CO 0.44 1.06 0.47 1.19 -2.65 0.00 0.00 178.83 179.34 3a6n n PHE 25 N -4.30 1.99 -2.06 3.99 3.01 -1.26 -4.88 117.46 113.94 3a6n n PHE 25 Ca -0.25 0.48 -0.39 0.00 1.01 0.00 0.00 57.45 58.29 3a6n n PHE 25 Cb 0.71 -2.34 -0.03 0.00 -0.01 0.00 0.00 39.48 37.81 3a6n n PHE 25 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3a6n s PRO 26 N -2.43 2.78 0.11 -1.08 0.04 -1.26 -4.77 135.00 128.39 3a6n s PRO 26 Ca 0.65 0.72 -0.19 0.00 0.04 0.00 0.00 61.00 62.22 3a6n s PRO 26 Cb -0.47 -4.34 -0.07 0.00 0.04 0.00 0.00 34.50 29.66 3a6n s PRO 26 CO 0.55 -2.54 1.67 0.28 0.04 0.00 0.00 177.00 176.99 3a6n h VAL 27 N 6.84 1.15 -0.89 -0.36 2.07 -1.89 -1.30 116.25 121.87 3a6n h VAL 27 Ca -0.27 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 66.85 3a6n h VAL 27 Cb 1.16 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 3a6n h VAL 27 CO 1.19 0.15 0.58 1.23 0.02 0.00 0.00 177.57 180.74 3a6n h GLY 28 N 0.25 1.28 1.11 2.17 0.00 -1.94 -0.67 103.07 105.27 3a6n h GLY 28 Ca 0.08 -0.42 -0.18 0.00 0.00 0.00 0.00 47.33 46.81 3a6n h GLY 28 CO -0.01 0.34 -0.53 -0.09 0.00 0.00 0.00 176.54 176.25 3a6n h ARG 29 N 1.07 0.83 -0.54 4.80 2.43 -1.93 -2.20 114.38 118.84 3a6n h ARG 29 Ca 0.36 -0.54 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 3a6n h ARG 29 Cb 0.09 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3a6n h ARG 29 CO -0.12 1.17 0.08 0.28 -1.51 0.00 0.00 179.97 179.87 3a6n h VAL 30 N 0.60 1.24 -0.03 0.20 2.07 -0.77 -1.23 116.25 118.32 3a6n h VAL 30 Ca 0.01 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 3a6n h VAL 30 Cb 1.14 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3a6n h VAL 30 CO 0.12 0.34 0.02 -0.74 0.02 0.00 0.00 177.57 177.32 3a6n h HIS 31 N 0.81 0.04 -0.09 1.57 -0.00 -1.04 -1.36 115.15 115.09 3a6n h HIS 31 Ca 0.17 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.57 3a6n h HIS 31 Cb 0.37 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 3a6n h HIS 31 CO 0.02 0.08 -0.09 -0.09 -0.00 0.00 0.00 177.93 177.86 3a6n h ARG 32 N -0.01 -0.11 -0.91 5.26 2.43 -1.10 -1.20 114.38 118.74 3a6n h ARG 32 Ca 0.01 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.34 3a6n h ARG 32 Cb 0.05 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.56 3a6n h ARG 32 CO -0.00 -0.07 0.58 -0.07 -1.51 0.00 0.00 179.97 178.90 3a6n h LEU 33 N -0.11 0.65 0.06 3.80 3.38 -1.04 0.14 115.31 122.19 3a6n h LEU 33 Ca 0.07 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3a6n h LEU 33 Cb 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3a6n h LEU 33 CO -0.16 0.32 -0.03 -0.07 0.09 0.00 0.00 178.44 178.59 3a6n h LEU 34 N 0.68 -0.06 -0.37 1.67 3.38 -0.13 -1.71 115.31 118.77 3a6n h LEU 34 Ca 0.46 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3a6n h LEU 34 Cb 0.77 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3a6n h LEU 34 CO -0.22 0.28 0.23 0.03 0.09 0.00 0.00 178.44 178.86 3a6n h ARG 35 N -0.42 0.46 0.00 1.13 3.08 -0.44 -2.54 114.38 115.66 3a6n h ARG 35 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3a6n h ARG 35 Cb 0.37 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3a6n h ARG 35 CO 0.01 0.31 0.00 1.63 -1.07 0.00 0.00 179.97 180.85 3a6n n LYS 36 N -4.85 0.95 -0.01 0.04 5.02 0.43 -3.58 118.16 116.16 3a6n n LYS 36 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 3a6n n LYS 36 Cb 0.04 -1.17 0.09 0.00 -0.02 0.00 0.00 35.03 33.97 3a6n n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a6n n GLY 37 N 0.60 0.71 3.47 0.72 0.00 -0.65 -4.98 105.19 105.06 3a6n n GLY 37 Ca 0.08 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 3a6n n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a6n n ASN 38 N 1.17 -2.84 -0.09 1.61 3.02 -1.23 -4.92 115.26 111.97 3a6n n ASN 38 Ca 0.12 -0.70 -0.13 0.00 -0.03 0.00 0.00 54.58 53.85 3a6n n ASN 38 Cb 0.52 -4.84 -0.15 0.00 -0.61 0.00 0.00 39.78 34.70 3a6n n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3a6n n TYR 39 N -3.99 0.19 -3.51 3.10 4.01 -1.26 -5.03 117.16 110.66 3a6n n TYR 39 Ca -0.24 0.06 -0.09 0.00 -0.16 0.00 0.00 57.90 57.46 3a6n n TYR 39 Cb 0.66 -1.03 -0.02 0.00 -0.31 0.00 0.00 39.34 38.64 3a6n n TYR 39 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3a6n s SER 40 N -5.94 -0.41 0.10 7.72 1.04 -1.26 -5.06 113.70 109.89 3a6n s SER 40 Ca -0.17 -0.07 -0.28 0.00 0.48 0.00 0.00 55.95 55.91 3a6n s SER 40 Cb 0.07 0.48 -0.11 0.00 0.10 0.00 0.00 66.02 66.56 3a6n s SER 40 CO 0.76 -0.80 1.64 -0.33 0.98 0.00 0.00 173.24 175.49 3a6n h GLU 41 N 2.00 -0.53 -6.43 4.02 4.39 -1.97 -3.44 114.58 112.62 3a6n h GLU 41 Ca -0.26 0.04 -0.61 0.00 0.34 0.00 0.00 59.36 58.86 3a6n h GLU 41 Cb 1.26 0.12 -0.20 0.00 -0.10 0.00 0.00 28.75 29.84 3a6n h GLU 41 CO 0.32 -0.35 -0.83 -0.98 -1.16 0.00 0.00 179.01 176.01 3a6n s ARG 42 N -6.05 1.35 -0.15 2.33 1.70 -1.26 -5.08 118.95 111.79 3a6n s ARG 42 Ca -0.16 -1.38 0.02 0.00 -0.47 0.00 0.00 55.73 53.74 3a6n s ARG 42 Cb 0.07 -1.64 0.00 0.00 -0.57 0.00 0.00 34.95 32.81 3a6n s ARG 42 CO 0.64 0.36 -0.19 0.08 -1.08 0.00 0.00 175.30 175.12 3a6n s VAL 43 N -1.51 2.33 0.68 4.99 1.01 -1.26 -5.10 120.40 121.55 3a6n s VAL 43 Ca 0.15 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 3a6n s VAL 43 Cb -0.08 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.36 3a6n s VAL 43 CO 0.07 0.53 1.12 -0.83 0.00 0.00 0.00 175.10 176.00 3a6n s GLY 44 N 0.80 2.14 0.33 4.51 0.00 -1.26 -4.95 107.32 108.89 3a6n s GLY 44 Ca -0.07 0.58 0.06 0.00 0.00 0.00 0.00 44.72 45.29 3a6n s GLY 44 CO -0.01 0.94 1.83 0.00 0.00 0.00 0.00 173.10 175.86 3a6n h ALA 45 N -0.14 1.31 0.00 3.20 0.00 -2.04 -2.90 119.26 118.69 3a6n h ALA 45 Ca -0.47 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.07 3a6n h ALA 45 Cb 1.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3a6n h ALA 45 CO 0.53 0.46 -0.53 0.78 0.00 0.00 0.00 179.25 180.50 3a6n h GLY 46 N 0.90 0.00 0.20 0.00 0.00 -2.01 -3.36 103.07 98.80 3a6n h GLY 46 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.46 3a6n h GLY 46 CO 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 176.54 176.35 3a6n h ALA 47 N 1.47 -0.10 -0.10 3.60 0.00 -1.89 0.15 119.26 122.39 3a6n h ALA 47 Ca -0.01 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3a6n h ALA 47 Cb 1.28 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 3a6n h ALA 47 CO 0.07 -0.65 -0.34 -1.00 0.00 0.00 0.00 179.25 177.33 3a6n h PRO 48 N -0.23 0.21 -0.10 0.00 0.13 -1.71 -0.90 132.00 129.40 3a6n h PRO 48 Ca 0.13 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 3a6n h PRO 48 Cb 0.43 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 3a6n h PRO 48 CO -0.37 0.53 0.01 0.28 -0.23 0.00 0.00 178.00 178.22 3a6n h VAL 49 N 0.18 1.23 -0.66 1.56 2.07 -1.55 0.14 116.25 119.22 3a6n h VAL 49 Ca 0.02 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 3a6n h VAL 49 Cb 0.69 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 3a6n h VAL 49 CO 0.05 0.21 0.17 0.22 0.02 0.00 0.00 177.57 178.23 3a6n h TYR 50 N -0.08 1.10 -0.15 1.57 5.03 -0.54 -2.12 116.97 121.77 3a6n h TYR 50 Ca 0.03 -0.13 -0.18 0.00 2.58 0.00 0.00 58.73 61.03 3a6n h TYR 50 Cb 0.32 -0.31 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 3a6n h TYR 50 CO 0.02 0.90 -0.66 1.25 -1.32 0.00 0.00 178.16 178.35 3a6n h LEU 51 N 0.97 0.67 -1.17 2.82 5.85 -1.09 -2.44 115.31 120.92 3a6n h LEU 51 Ca 0.21 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 3a6n h LEU 51 Cb 0.35 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3a6n h LEU 51 CO 0.00 1.15 0.12 0.00 -0.34 0.00 0.00 178.44 179.37 3a6n h ALA 52 N 0.85 1.34 -0.06 1.25 0.00 -0.58 -1.30 119.26 120.76 3a6n h ALA 52 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3a6n h ALA 52 Cb 1.24 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3a6n h ALA 52 CO 0.13 0.48 -0.00 0.00 0.00 0.00 0.00 179.25 179.85 3a6n h ALA 53 N 1.45 0.08 -0.73 0.00 0.00 -1.26 -1.29 119.26 117.51 3a6n h ALA 53 Ca 0.16 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a6n h ALA 53 Cb 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3a6n h ALA 53 CO -0.00 -0.24 0.45 0.28 0.00 0.00 0.00 179.25 179.73 3a6n h VAL 54 N -0.20 1.21 -0.13 0.00 2.07 -1.31 0.13 116.25 118.01 3a6n h VAL 54 Ca 0.02 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3a6n h VAL 54 Cb 0.35 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3a6n h VAL 54 CO 0.00 0.21 0.09 -0.07 0.02 0.00 0.00 177.57 177.82 3a6n h LEU 55 N 1.00 0.15 -1.20 2.57 3.38 -1.17 -0.72 115.31 119.33 3a6n h LEU 55 Ca 0.26 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 3a6n h LEU 55 Cb -0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3a6n h LEU 55 CO -0.05 0.11 0.10 -0.08 0.09 0.00 0.00 178.44 178.61 3a6n h GLU 56 N 0.18 0.65 -0.44 1.13 4.81 -0.84 -1.16 114.58 118.91 3a6n h GLU 56 Ca 0.05 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 3a6n h GLU 56 Cb -0.02 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3a6n h GLU 56 CO -0.01 0.60 -0.07 -0.92 -0.73 0.00 0.00 179.01 177.88 3a6n h TYR 57 N 0.64 0.92 -0.37 0.92 3.20 -0.32 -1.95 116.97 120.01 3a6n h TYR 57 Ca 0.14 -0.19 -0.16 0.00 3.14 0.00 0.00 58.73 61.66 3a6n h TYR 57 Cb 0.26 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3a6n h TYR 57 CO 0.01 0.91 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.96 3a6n h LEU 58 N 0.66 0.99 -1.09 2.82 3.38 -0.78 -1.53 115.31 119.76 3a6n h LEU 58 Ca 0.12 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3a6n h LEU 58 Cb 0.60 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3a6n h LEU 58 CO 0.04 1.27 -0.04 0.71 0.09 0.00 0.00 178.44 180.50 3a6n h THR 59 N 0.74 0.09 0.04 0.22 1.35 -1.20 -2.10 112.91 112.06 3a6n h THR 59 Ca 0.05 -0.73 -0.26 0.00 -0.55 0.00 0.00 66.41 64.93 3a6n h THR 59 Cb 1.01 1.66 0.02 0.00 -1.73 0.00 0.00 68.15 69.12 3a6n h THR 59 CO 0.10 0.04 -1.03 0.00 -0.25 0.00 0.00 175.52 174.37 3a6n h ALA 60 N 1.96 0.07 -0.49 6.62 0.00 -1.12 -1.87 119.26 124.43 3a6n h ALA 60 Ca -0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 3a6n h ALA 60 Cb 0.66 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3a6n h ALA 60 CO 0.01 0.62 0.25 1.49 0.00 0.00 0.00 179.25 181.62 3a6n h GLU 61 N 0.26 0.69 0.00 0.00 4.57 -0.99 -0.67 114.58 118.44 3a6n h GLU 61 Ca -0.14 -0.09 -0.17 0.00 -1.18 0.00 0.00 59.36 57.77 3a6n h GLU 61 Cb 1.71 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 30.14 3a6n h GLU 61 CO 0.20 0.56 -0.82 0.97 -1.18 0.00 0.00 179.01 178.74 3a6n h ILE 62 N 0.64 1.44 -0.09 2.32 2.10 -1.45 -2.90 117.51 119.58 3a6n h ILE 62 Ca 0.17 -2.98 -0.12 0.00 1.08 0.00 0.00 64.86 63.01 3a6n h ILE 62 Cb 0.08 2.68 -0.01 0.00 -1.09 0.00 0.00 36.82 38.48 3a6n h ILE 62 CO -0.02 0.81 -0.47 -0.07 -1.08 0.00 0.00 178.15 177.31 3a6n h LEU 63 N 0.00 0.23 -0.11 2.19 3.38 -1.20 0.44 115.31 120.23 3a6n h LEU 63 Ca -0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3a6n h LEU 63 Cb 1.61 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 3a6n h LEU 63 CO 0.11 0.67 0.07 -0.08 0.09 0.00 0.00 178.44 179.29 3a6n h GLU 64 N 0.17 0.15 -0.00 1.13 4.57 -1.07 0.13 114.58 119.66 3a6n h GLU 64 Ca 0.01 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.02 3a6n h GLU 64 Cb 0.90 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.44 3a6n h GLU 64 CO 0.07 0.15 -0.72 -0.07 -1.18 0.00 0.00 179.01 177.27 3a6n h LEU 65 N 0.12 0.02 -0.19 1.64 3.38 -1.39 -2.53 115.31 116.36 3a6n h LEU 65 Ca 0.04 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3a6n h LEU 65 Cb 0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3a6n h LEU 65 CO -0.01 0.73 -0.20 0.00 0.09 0.00 0.00 178.44 179.05 3a6n h ALA 66 N 1.27 0.28 -0.59 1.53 0.00 -0.73 -1.74 119.26 119.28 3a6n h ALA 66 Ca -0.01 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.64 3a6n h ALA 66 Cb 1.27 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3a6n h ALA 66 CO 0.09 0.21 0.40 0.78 0.00 0.00 0.00 179.25 180.73 3a6n h GLY 67 N 0.13 0.60 0.91 0.00 0.00 -0.70 0.20 103.07 104.21 3a6n h GLY 67 Ca 0.03 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 3a6n h GLY 67 CO 0.05 0.12 -0.24 3.43 0.00 0.00 0.00 176.54 179.90 3a6n h ASN 68 N 0.44 0.65 -0.61 0.19 2.35 -1.16 -0.94 115.58 116.50 3a6n h ASN 68 Ca 0.27 -0.47 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 3a6n h ASN 68 Cb 0.48 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 3a6n h ASN 68 CO -0.08 0.98 0.30 0.00 -1.65 0.00 0.00 177.43 176.99 3a6n h ALA 69 N 0.68 1.33 0.71 -0.83 0.00 -0.18 0.53 119.26 121.50 3a6n h ALA 69 Ca 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3a6n h ALA 69 Cb 0.79 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3a6n h ALA 69 CO 0.06 0.52 -0.34 0.00 0.00 0.00 0.00 179.25 179.49 3a6n h ALA 70 N 1.43 -0.95 -0.48 0.00 0.00 -0.49 -1.59 119.26 117.18 3a6n h ALA 70 Ca 0.22 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3a6n h ALA 70 Cb 0.10 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 3a6n h ALA 70 CO -0.03 -0.98 -0.25 -0.09 0.00 0.00 0.00 179.25 177.90 3a6n h ARG 71 N -1.06 -0.14 -0.62 0.00 2.43 -0.59 0.14 114.38 114.54 3a6n h ARG 71 Ca -0.10 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.21 3a6n h ARG 71 Cb 0.76 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 3a6n h ARG 71 CO 0.16 -0.09 0.42 -0.44 -1.51 0.00 0.00 179.97 178.51 3a6n h ASP 72 N -0.14 0.28 -0.51 -3.80 3.32 0.16 0.57 116.42 116.31 3a6n h ASP 72 Ca 0.22 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3a6n h ASP 72 Cb 0.49 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3a6n h ASP 72 CO -0.56 0.16 0.00 -3.20 -1.72 0.00 0.00 179.24 173.91 3a6n n ASN 73 N -4.45 4.15 -2.17 6.45 5.15 0.39 -4.93 115.26 119.85 3a6n n ASN 73 Ca 0.11 -2.46 -0.21 0.00 -0.60 0.00 0.00 54.58 51.42 3a6n n ASN 73 Cb 0.47 -0.55 -0.03 0.00 -0.53 0.00 0.00 39.78 39.14 3a6n n ASN 73 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3a6n n LYS 74 N 0.77 -1.60 -4.36 1.20 5.02 0.19 -5.00 118.16 114.38 3a6n n LYS 74 Ca 0.21 1.06 -0.30 0.00 -2.02 0.00 0.00 58.31 57.25 3a6n n LYS 74 Cb 0.81 -5.64 -0.11 0.00 -0.02 0.00 0.00 35.03 30.08 3a6n n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3a6n s LYS 75 N -4.73 2.18 0.00 1.97 -0.14 -0.52 -4.99 119.74 113.50 3a6n s LYS 75 Ca 0.00 -0.97 0.17 0.00 -1.36 0.00 0.00 55.97 53.81 3a6n s LYS 75 Cb 0.00 -2.31 -0.15 0.00 -1.68 0.00 0.00 37.83 33.69 3a6n s LYS 75 CO 0.00 0.53 0.74 0.25 -0.76 0.00 0.00 175.35 176.11 3a6n n THR 76 N 1.04 0.00 -3.93 2.17 -2.24 -1.26 -3.33 114.28 106.73 3a6n n THR 76 Ca -0.14 -0.15 -0.35 0.00 -2.27 0.00 0.00 64.05 61.14 3a6n n THR 76 Cb 0.52 1.04 -0.14 0.00 -2.10 0.00 0.00 70.33 69.65 3a6n n THR 76 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3a6n s ARG 77 N -2.45 3.23 0.21 -0.78 3.52 -1.26 -5.02 118.95 116.40 3a6n s ARG 77 Ca 0.08 -0.72 -0.31 0.00 -0.13 0.00 0.00 55.73 54.65 3a6n s ARG 77 Cb 0.13 -2.98 -0.10 0.00 -1.56 0.00 0.00 34.95 30.44 3a6n s ARG 77 CO 0.63 -0.24 1.51 0.42 -0.81 0.00 0.00 175.30 176.81 3a6n s ILE 78 N 1.44 2.58 0.31 4.11 1.01 -1.26 -4.99 121.20 124.40 3a6n s ILE 78 Ca 0.05 0.46 0.04 0.00 0.00 0.00 0.00 60.65 61.19 3a6n s ILE 78 Cb -0.15 -3.29 -0.06 0.00 0.01 0.00 0.00 42.46 38.97 3a6n s ILE 78 CO -0.04 0.06 0.05 0.27 0.00 0.00 0.00 174.94 175.27 3a6n s ILE 79 N 0.53 1.18 0.25 2.92 -4.36 -1.26 -5.03 121.20 115.43 3a6n s ILE 79 Ca 0.65 -2.01 -0.04 0.00 -0.26 0.00 0.00 60.65 58.98 3a6n s ILE 79 Cb -0.43 -2.72 0.26 0.00 1.25 0.00 0.00 42.46 40.81 3a6n s ILE 79 CO 0.38 -0.05 1.67 -0.65 0.24 0.00 0.00 174.94 176.53 3a6n h PRO 80 N 2.17 0.22 -0.83 0.37 0.11 -1.89 0.90 132.00 133.05 3a6n h PRO 80 Ca -0.40 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.82 3a6n h PRO 80 Cb 1.24 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 3a6n h PRO 80 CO 0.69 0.14 0.54 -0.09 -0.21 0.00 0.00 178.00 179.07 3a6n h ARG 81 N 0.22 0.66 -0.52 1.05 9.65 -1.78 0.10 114.38 123.76 3a6n h ARG 81 Ca 0.44 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 59.19 3a6n h ARG 81 Cb 0.78 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.19 3a6n h ARG 81 CO -0.57 0.44 -0.03 0.45 2.80 0.00 0.00 179.97 183.06 3a6n h HIS 82 N 0.68 1.03 -0.63 2.20 3.86 -1.18 -0.82 115.15 120.31 3a6n h HIS 82 Ca 0.40 -0.19 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 3a6n h HIS 82 Cb 0.61 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 3a6n h HIS 82 CO -0.00 0.96 0.26 -0.07 0.86 0.00 0.00 177.93 179.94 3a6n h LEU 83 N 0.81 0.86 -0.11 2.43 3.38 -0.45 -1.74 115.31 120.49 3a6n h LEU 83 Ca 0.14 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3a6n h LEU 83 Cb 0.57 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3a6n h LEU 83 CO 0.03 0.79 0.07 1.56 0.09 0.00 0.00 178.44 180.98 3a6n h GLN 84 N 0.88 0.15 -0.46 1.13 1.08 -0.63 0.47 115.11 117.72 3a6n h GLN 84 Ca 0.21 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3a6n h GLN 84 Cb 0.19 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 3a6n h GLN 84 CO -0.02 0.14 0.29 -0.07 -0.95 0.00 0.00 178.83 178.22 3a6n h LEU 85 N 0.12 0.54 -0.22 1.46 3.38 -0.96 0.91 115.31 120.54 3a6n h LEU 85 Ca 0.04 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 3a6n h LEU 85 Cb 0.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3a6n h LEU 85 CO -0.01 0.40 -0.53 0.00 0.09 0.00 0.00 178.44 178.39 3a6n h ALA 86 N 1.69 0.36 0.50 1.53 0.00 -0.85 -2.41 119.26 120.08 3a6n h ALA 86 Ca 0.17 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3a6n h ALA 86 Cb -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3a6n h ALA 86 CO -0.03 0.57 -0.24 0.82 0.00 0.00 0.00 179.25 180.36 3a6n h ILE 87 N 0.48 0.31 0.00 0.00 1.08 -0.27 -3.16 117.51 115.95 3a6n h ILE 87 Ca -0.00 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 3a6n h ILE 87 Cb 1.15 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 3a6n h ILE 87 CO 0.12 0.05 0.00 0.03 -0.69 0.00 0.00 178.15 177.66 3a6n h ARG 88 N -1.02 0.00 -0.01 2.37 2.47 -0.94 -2.25 114.38 114.99 3a6n h ARG 88 Ca -0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3a6n h ARG 88 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 3a6n h ARG 88 CO 0.11 0.00 -0.37 0.09 0.56 0.00 0.00 179.97 180.37 3a6n n ASN 89 N -2.63 1.58 -4.28 7.04 3.02 -0.91 -4.74 115.26 114.35 3a6n n ASN 89 Ca 0.00 -1.24 -0.40 0.00 -0.03 0.00 0.00 54.58 52.91 3a6n n ASN 89 Cb 0.19 0.31 -0.10 0.00 -0.61 0.00 0.00 39.78 39.57 3a6n n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3a6n s ASP 90 N -2.47 5.65 0.32 6.41 2.15 -0.87 -4.98 116.67 122.88 3a6n s ASP 90 Ca 0.22 -1.47 0.06 0.00 0.43 0.00 0.00 52.55 51.79 3a6n s ASP 90 Cb 0.19 -1.99 0.90 0.00 -0.30 0.00 0.00 42.92 41.72 3a6n s ASP 90 CO 0.54 -0.53 1.57 -0.08 -0.17 0.00 0.00 175.17 176.50 3a6n h GLU 91 N 8.41 0.01 -0.03 4.34 4.81 -1.85 0.93 114.58 131.20 3a6n h GLU 91 Ca -0.23 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 3a6n h GLU 91 Cb 1.08 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3a6n h GLU 91 CO 0.75 0.00 -0.10 0.93 -0.73 0.00 0.00 179.01 179.87 3a6n h GLU 92 N 0.01 0.12 -0.71 1.92 5.08 -1.93 -1.86 114.58 117.20 3a6n h GLU 92 Ca 0.66 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.86 3a6n h GLU 92 Cb 1.49 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.72 3a6n h GLU 92 CO -0.89 0.72 0.17 -0.07 -1.00 0.00 0.00 179.01 177.94 3a6n h LEU 93 N -0.45 1.08 -0.88 1.33 3.38 -1.64 0.12 115.31 118.26 3a6n h LEU 93 Ca -0.00 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.77 3a6n h LEU 93 Cb 0.73 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3a6n h LEU 93 CO 0.02 1.03 0.56 -1.13 0.09 0.00 0.00 178.44 179.02 3a6n h ASN 94 N 1.08 0.93 -0.11 -0.43 -1.24 -0.56 0.44 115.58 115.69 3a6n h ASN 94 Ca 0.22 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.21 3a6n h ASN 94 Cb 0.38 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.22 3a6n h ASN 94 CO 0.00 0.63 0.01 0.50 -1.29 0.00 0.00 177.43 177.28 3a6n h LYS 95 N 1.08 0.19 -0.39 6.67 3.11 -0.74 0.11 116.57 126.61 3a6n h LYS 95 Ca 0.36 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 58.14 3a6n h LYS 95 Cb 0.04 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 3a6n h LYS 95 CO -0.13 0.43 0.23 1.25 -2.81 0.00 0.00 179.45 178.42 3a6n h LEU 96 N -0.07 0.45 -3.26 5.20 5.85 0.06 -2.68 115.31 120.88 3a6n h LEU 96 Ca 0.03 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 3a6n h LEU 96 Cb 0.34 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3a6n h LEU 96 CO 0.00 0.35 -0.04 0.18 -0.34 0.00 0.00 178.44 178.59 3a6n n LEU 97 N -4.46 3.76 0.31 2.25 4.77 0.15 -4.76 117.00 119.02 3a6n n LEU 97 Ca 0.03 -3.35 0.19 0.00 -0.03 0.00 0.00 56.01 52.84 3a6n n LEU 97 Cb 0.08 -0.57 0.99 0.00 -2.33 0.00 0.00 43.42 41.59 3a6n n LEU 97 CO 0.35 0.93 1.16 1.23 -1.33 0.00 0.00 177.39 179.73 3a6n h GLY 98 N 1.22 0.00 -1.05 -0.72 0.00 -0.41 -0.57 103.07 101.54 3a6n h GLY 98 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 3a6n h GLY 98 CO 0.26 0.00 -0.12 0.54 0.00 0.00 0.00 176.54 177.22 3a6n n ARG 99 N -3.16 1.86 -4.48 4.80 5.12 -1.26 -5.00 116.66 114.53 3a6n n ARG 99 Ca -0.02 -2.93 -0.34 0.00 -1.93 0.00 0.00 57.85 52.64 3a6n n ARG 99 Cb 0.24 -1.68 -0.10 0.00 -1.16 0.00 0.00 32.46 29.75 3a6n n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3a6n s VAL 100 N -3.02 3.95 -0.18 1.55 1.01 -0.23 -5.10 120.40 118.38 3a6n s VAL 100 Ca 0.39 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3a6n s VAL 100 Cb 0.34 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 34.07 3a6n s VAL 100 CO 0.02 0.54 -0.17 0.28 0.00 0.00 0.00 175.10 175.77 3a6n s THR 101 N -0.90 2.38 -0.55 3.92 -1.32 -1.26 -5.06 115.64 112.85 3a6n s THR 101 Ca 0.14 -0.84 -0.24 0.00 -1.21 0.00 0.00 61.69 59.54 3a6n s THR 101 Cb -0.11 -2.01 0.04 0.00 -1.51 0.00 0.00 72.50 68.91 3a6n s THR 101 CO 0.04 0.52 0.93 -0.63 -2.21 0.00 0.00 174.62 173.27 3a6n s ILE 102 N 1.16 4.41 0.14 5.08 -1.09 -1.26 -5.01 121.20 124.63 3a6n s ILE 102 Ca 0.01 0.24 -0.33 0.00 -2.23 0.00 0.00 60.65 58.34 3a6n s ILE 102 Cb -0.14 -4.53 -0.13 0.00 -1.58 0.00 0.00 42.46 36.08 3a6n s ILE 102 CO -0.07 -1.11 1.65 0.00 -1.23 0.00 0.00 174.94 174.18 3a6n n ALA 103 N 7.41 1.65 -1.16 9.38 0.00 -1.26 -1.19 120.51 135.35 3a6n n ALA 103 Ca 0.01 0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.81 3a6n n ALA 103 Cb 0.47 -2.42 -0.02 0.00 0.00 0.00 0.00 19.45 17.49 3a6n n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3a6n n GLN 104 N 3.99 -0.53 0.09 0.00 1.13 -1.26 -4.86 117.38 115.94 3a6n n GLN 104 Ca 0.17 0.61 0.11 0.00 -1.94 0.00 0.00 57.00 55.96 3a6n n GLN 104 Cb 0.31 -4.34 -0.03 0.00 0.11 0.00 0.00 30.24 26.29 3a6n n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a6n n GLY 105 N -2.03 -1.40 7.00 1.08 0.00 -0.33 -3.46 105.19 106.06 3a6n n GLY 105 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3a6n n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6n n GLY 106 N 1.20 -0.17 3.49 -0.02 0.00 -1.26 -4.50 105.19 103.93 3a6n n GLY 106 Ca -0.01 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 3a6n n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a6n s VAL 107 N 0.00 1.66 0.13 1.61 -7.23 -1.26 -5.02 120.40 110.29 3a6n s VAL 107 Ca 0.00 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 57.80 3a6n s VAL 107 Cb 0.00 -2.69 -0.07 0.00 0.56 0.00 0.00 36.38 34.18 3a6n s VAL 107 CO 0.00 -0.14 1.14 -0.76 -0.31 0.00 0.00 175.10 175.03 3a6n s LEU 108 N -3.53 4.44 0.11 1.32 1.43 -1.26 -4.93 118.68 116.25 3a6n s LEU 108 Ca 0.33 2.06 -0.31 0.00 -1.03 0.00 0.00 54.13 55.18 3a6n s LEU 108 Cb 0.06 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 3a6n s LEU 108 CO 0.15 -0.33 1.81 -2.16 0.23 0.00 0.00 176.35 176.05 3a6n s PRO 109 N 0.19 4.15 -0.30 1.29 0.04 -1.26 -4.92 135.00 134.19 3a6n s PRO 109 Ca 0.53 2.55 -0.04 0.00 0.04 0.00 0.00 61.00 64.08 3a6n s PRO 109 Cb -0.29 -3.64 0.19 0.00 0.04 0.00 0.00 34.50 30.79 3a6n s PRO 109 CO 0.33 -0.84 0.74 1.21 0.04 0.00 0.00 177.00 178.48 3a6n s ASN 110 N 2.80 -1.12 -0.22 6.66 2.47 -1.26 -5.14 114.94 119.12 3a6n s ASN 110 Ca 0.80 0.64 -0.05 0.00 0.42 0.00 0.00 52.86 54.68 3a6n s ASN 110 Cb -0.45 1.92 -0.02 0.00 -1.45 0.00 0.00 41.25 41.26 3a6n s ASN 110 CO 0.36 -0.21 -0.01 -0.63 -3.72 0.00 0.00 177.10 172.89 3a6n s ILE 111 N 2.89 3.69 0.26 -5.21 1.01 -1.26 -5.09 121.20 117.49 3a6n s ILE 111 Ca 0.14 -0.39 -0.31 0.00 0.00 0.00 0.00 60.65 60.10 3a6n s ILE 111 Cb -0.13 -2.69 -0.13 0.00 0.01 0.00 0.00 42.46 39.52 3a6n s ILE 111 CO -0.19 0.40 1.38 0.00 0.00 0.00 0.00 174.94 176.53 3a6n n GLN 112 N 4.74 2.03 -0.18 2.79 1.13 -1.26 -4.89 117.38 121.74 3a6n n GLN 112 Ca -0.17 0.72 -0.02 0.00 -1.94 0.00 0.00 57.00 55.59 3a6n n GLN 112 Cb 0.51 -2.36 0.05 0.00 0.11 0.00 0.00 30.24 28.55 3a6n n GLN 112 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3a6n h ALA 113 N 3.87 0.38 -0.00 -1.58 0.00 -1.98 -1.59 119.26 118.35 3a6n h ALA 113 Ca -0.45 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3a6n h ALA 113 Cb 1.28 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 3a6n h ALA 113 CO 0.73 -0.43 0.32 0.28 0.00 0.00 0.00 179.25 180.14 3a6n h VAL 114 N 0.01 0.00 0.00 0.00 2.07 -2.00 -1.68 116.25 114.64 3a6n h VAL 114 Ca 0.27 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.76 3a6n h VAL 114 Cb 0.41 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3a6n h VAL 114 CO -0.57 0.00 -0.64 -0.07 0.02 0.00 0.00 177.57 176.32 3a6n h LEU 115 N 0.00 0.00-10.24 2.57 3.38 -1.64 -3.47 115.31 105.91 3a6n h LEU 115 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3a6n h LEU 115 Cb 0.63 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.47 3a6n h LEU 115 CO -0.00 0.11 0.37 -0.76 0.09 0.00 0.00 178.44 178.25 3a6n s LEU 116 N -5.81 3.36 0.82 1.67 1.43 -0.63 -5.01 118.68 114.50 3a6n s LEU 116 Ca 0.02 1.80 -0.12 0.00 -1.03 0.00 0.00 54.13 54.81 3a6n s LEU 116 Cb 0.08 -4.53 0.09 0.00 0.03 0.00 0.00 46.19 41.86 3a6n s LEU 116 CO 0.74 -1.38 1.17 -2.84 0.23 0.00 0.00 176.35 174.27 3a6n s PRO 117 N -4.36 1.59 0.00 1.29 0.02 -1.26 -5.09 135.00 127.19 3a6n s PRO 117 Ca 0.63 1.63 0.28 0.00 0.02 0.00 0.00 61.00 63.56 3a6n s PRO 117 Cb -0.16 -1.78 1.68 0.00 0.02 0.00 0.00 34.50 34.25 3a6n s PRO 117 CO 0.43 -2.22 2.02 1.63 -0.33 0.00 0.00 177.00 178.54