#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5a h GLU 5 N 0.00 1.15 -0.37 -3.83 4.57 -1.99 -1.30 114.58 112.81 1s5a h GLU 5 Ca 0.00 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1s5a h GLU 5 Cb 0.00 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.31 1s5a h GLU 5 CO 0.00 0.76 0.22 0.35 -1.18 0.00 0.00 179.01 179.16 1s5a h PHE 6 N 1.19 0.42 -0.24 0.92 3.57 -1.98 0.17 116.94 120.98 1s5a h PHE 6 Ca 0.39 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.81 1s5a h PHE 6 Cb 0.04 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1s5a h PHE 6 CO -0.01 0.25 -0.25 0.93 -2.23 0.00 0.00 178.31 177.00 1s5a h GLU 7 N 0.45 0.45 -0.42 1.11 5.08 -1.86 -0.09 114.58 119.31 1s5a h GLU 7 Ca 0.14 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1s5a h GLU 7 Cb -0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1s5a h GLU 7 CO -0.06 0.67 -0.25 0.87 -1.00 0.00 0.00 179.01 179.24 1s5a h LYS 8 N 0.40 0.87 -0.45 2.33 1.57 -0.86 -1.67 116.57 118.76 1s5a h LYS 8 Ca 0.06 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1s5a h LYS 8 Cb 0.65 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1s5a h LYS 8 CO 0.05 1.02 0.19 0.00 -0.57 0.00 0.00 179.45 180.14 1s5a h ALA 9 N 0.97 0.58 -0.26 3.86 0.00 -0.23 -0.49 119.26 123.68 1s5a h ALA 9 Ca 0.09 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1s5a h ALA 9 Cb 0.80 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1s5a h ALA 9 CO 0.07 0.18 -0.13 0.00 0.00 0.00 0.00 179.25 179.37 1s5a h GLU 11 N 0.41 0.71 -0.34 0.00 4.57 -1.00 -0.90 114.58 118.04 1s5a h GLU 11 Ca 0.08 -0.36 -0.10 0.00 -1.18 0.00 0.00 59.36 57.79 1s5a h GLU 11 Cb 0.47 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1s5a h GLU 11 CO 0.03 0.97 -0.22 1.15 -1.18 0.00 0.00 179.01 179.76 1s5a h THR 12 N 0.58 1.27 -0.27 0.32 2.02 -0.58 -1.83 112.91 114.42 1s5a h THR 12 Ca 0.05 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 65.89 1s5a h THR 12 Cb 0.92 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1s5a h THR 12 CO 0.08 0.42 -0.03 0.25 0.37 0.00 0.00 175.52 176.61 1s5a h LEU 13 N 0.57 0.49 -0.50 2.58 5.85 -0.73 0.13 115.31 123.70 1s5a h LEU 13 Ca 0.08 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.53 1s5a h LEU 13 Cb 0.69 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1s5a h LEU 13 CO 0.05 0.72 0.18 -0.09 -0.34 0.00 0.00 178.44 178.95 1s5a h ARG 14 N 0.26 0.34 -0.25 1.25 2.43 -1.01 -1.67 114.38 115.73 1s5a h ARG 14 Ca 0.07 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 1s5a h ARG 14 Cb 0.49 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1s5a h ARG 14 CO 0.02 0.22 -0.30 0.87 -1.51 0.00 0.00 179.97 179.28 1s5a h LYS 15 N 0.35 0.51 0.00 0.20 1.57 -1.15 -0.83 116.57 117.22 1s5a h LYS 15 Ca 0.24 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1s5a h LYS 15 Cb 0.26 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1s5a h LYS 15 CO -0.25 0.76 0.00 0.34 -0.57 0.00 0.00 179.45 179.73 1s5a n PHE 16 N -4.09 0.00 0.00 -1.35 7.35 0.44 -0.74 117.46 119.08 1s5a n PHE 16 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1s5a n PHE 16 Cb 0.44 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.27 1s5a n PHE 16 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s5a n ALA 18 N -0.15 0.00 0.20 3.13 0.00 -0.32 -4.76 120.51 118.61 1s5a n ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1s5a n ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1s5a n ALA 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s5a n TYR 19 N 0.00 0.00 0.00 0.00 4.01 0.08 -0.80 117.16 120.45 1s5a n TYR 19 Ca 0.00 -0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1s5a n TYR 19 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 1s5a n TYR 19 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1s5a n LEU 21 N 1.13 0.00 -0.04 7.72 4.77 -1.26 -0.77 117.00 128.55 1s5a n LEU 21 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1s5a n LEU 21 Cb 0.19 0.00 0.78 0.00 -2.33 0.00 0.00 43.42 42.07 1s5a n LEU 21 CO 0.00 0.00 1.02 -0.62 -1.33 0.00 0.00 177.39 176.46 1s5a n GLU 22 N 0.00 0.70 -2.45 3.23 1.02 0.02 -4.88 120.64 118.27 1s5a n GLU 22 Ca 0.00 -0.08 -0.18 0.00 -0.02 0.00 0.00 57.16 56.88 1s5a n GLU 22 Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.91 1s5a n GLU 22 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1s5a n LYS 23 N -1.08 -2.00 -3.91 3.49 5.02 -0.21 -5.16 118.16 114.31 1s5a n LYS 23 Ca 0.18 0.88 -0.31 0.00 -2.02 0.00 0.00 58.31 57.03 1s5a n LYS 23 Cb 0.21 -5.54 -0.04 0.00 -0.02 0.00 0.00 35.03 29.64 1s5a n LYS 23 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1s5a s ASP 24 N -2.08 6.37 0.00 4.39 -1.08 0.05 -5.01 116.67 119.31 1s5a s ASP 24 Ca 0.02 0.29 0.00 0.00 -0.52 0.00 0.00 52.55 52.34 1s5a s ASP 24 Cb -0.01 -1.97 0.00 0.00 -1.46 0.00 0.00 42.92 39.48 1s5a s ASP 24 CO 0.02 0.18 0.00 0.29 0.52 0.00 0.00 175.17 176.18 1s5a n LYS 26 N 0.39 0.00 -0.20 4.34 5.02 -1.26 -2.33 118.16 124.12 1s5a n LYS 26 Ca -0.06 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.13 1s5a n LYS 26 Cb 0.51 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.54 1s5a n LYS 26 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1s5a h SER 27 N 0.00 1.05 -0.48 4.39 0.02 -1.98 -2.95 113.55 113.60 1s5a h SER 27 Ca 0.00 -0.33 0.04 0.00 -0.84 0.00 0.00 61.79 60.67 1s5a h SER 27 Cb 0.00 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.21 1s5a h SER 27 CO 0.00 1.12 0.24 -0.25 -1.14 0.00 0.00 176.83 176.80 1s5a h TRP 28 N 0.95 0.44 -0.62 3.45 7.01 -1.82 -2.21 115.95 123.14 1s5a h TRP 28 Ca 0.16 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.22 1s5a h TRP 28 Cb 0.61 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.51 1s5a h TRP 28 CO 0.04 0.22 0.41 1.15 -2.79 0.00 0.00 178.44 177.47 1s5a h THR 29 N 0.47 1.05 0.00 2.65 2.02 -1.80 -1.54 112.91 115.77 1s5a h THR 29 Ca 0.21 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1s5a h THR 29 Cb 0.12 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1s5a h THR 29 CO -0.15 0.13 0.00 -0.62 0.37 0.00 0.00 175.52 175.24 1s5a n GLU 30 N -4.47 0.07 0.07 6.66 -0.58 -0.83 -1.86 120.64 119.69 1s5a n GLU 30 Ca 0.08 0.27 0.13 0.00 -0.42 0.00 0.00 57.16 57.23 1s5a n GLU 30 Cb 0.17 -1.50 0.48 0.00 -0.57 0.00 0.00 31.44 30.02 1s5a n GLU 30 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1s5a n LEU 31 N -1.39 0.52 -4.91 -4.62 4.77 -0.58 -4.87 117.00 105.91 1s5a n LEU 31 Ca 0.03 0.55 -0.30 0.00 -0.03 0.00 0.00 56.01 56.26 1s5a n LEU 31 Cb 0.09 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 1s5a n LEU 31 CO 0.07 -0.14 -0.02 0.26 -1.33 0.00 0.00 177.39 176.24 1s5a s TRP 32 N -3.07 3.49 0.49 -1.77 0.52 -0.78 -1.45 118.94 116.36 1s5a s TRP 32 Ca 0.11 0.40 -0.20 0.00 0.02 0.00 0.00 56.10 56.44 1s5a s TRP 32 Cb 0.14 -1.89 -0.08 0.00 -1.15 0.00 0.00 33.47 30.49 1s5a s TRP 32 CO 0.56 0.46 1.03 0.34 0.02 0.00 0.00 176.95 179.36 1s5a s ASP 33 N -2.68 6.39 0.36 2.95 2.15 -0.10 -4.82 116.67 120.92 1s5a s ASP 33 Ca 0.39 1.89 0.12 0.00 0.43 0.00 0.00 52.55 55.38 1s5a s ASP 33 Cb -0.12 -2.56 0.93 0.00 -0.30 0.00 0.00 42.92 40.87 1s5a s ASP 33 CO 0.27 -0.75 1.80 -0.08 -0.17 0.00 0.00 175.17 176.24 1s5a h GLU 34 N 1.52 0.56 -0.43 4.34 4.81 -1.98 -1.65 114.58 121.76 1s5a h GLU 34 Ca -0.49 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 58.53 1s5a h GLU 34 Cb 1.21 -0.13 -0.10 0.00 0.63 0.00 0.00 28.75 30.37 1s5a h GLU 34 CO 0.59 0.37 0.05 0.09 -0.73 0.00 0.00 179.01 179.38 1s5a n ASN 35 N -4.65 3.20 -4.70 1.04 3.02 -1.26 -1.07 115.26 110.85 1s5a n ASN 35 Ca 0.22 -3.50 -0.32 0.00 -0.03 0.00 0.00 54.58 50.95 1s5a n ASN 35 Cb 0.67 -0.64 0.14 0.00 -0.61 0.00 0.00 39.78 39.34 1s5a n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s5a s ALA 36 N -3.12 1.73 -0.08 5.41 0.00 -0.62 -4.44 121.76 120.65 1s5a s ALA 36 Ca 0.46 0.65 0.05 0.00 0.00 0.00 0.00 51.96 53.12 1s5a s ALA 36 Cb 0.40 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 1s5a s ALA 36 CO 0.05 -2.42 -0.23 0.08 0.00 0.00 0.00 175.76 173.23 1s5a s VAL 37 N -2.48 2.23 -0.22 0.00 1.01 -0.31 -0.75 120.40 119.87 1s5a s VAL 37 Ca 0.69 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1s5a s VAL 37 Cb -0.24 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1s5a s VAL 37 CO 0.54 0.56 -0.11 0.12 0.00 0.00 0.00 175.10 176.22 1s5a s PHE 38 N 0.02 2.98 0.03 5.22 5.36 -0.07 -1.38 117.98 130.14 1s5a s PHE 38 Ca -0.08 -1.56 0.07 0.00 -0.96 0.00 0.00 56.93 54.39 1s5a s PHE 38 Cb -0.15 -2.01 -0.03 0.00 -0.34 0.00 0.00 43.02 40.49 1s5a s PHE 38 CO 0.05 -0.74 -0.19 -1.21 -1.46 0.00 0.00 175.22 171.68 1s5a s GLU 39 N 1.32 2.11 -0.49 10.12 2.02 0.32 -0.74 118.70 133.35 1s5a s GLU 39 Ca 0.02 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 54.09 1s5a s GLU 39 Cb -0.15 -2.19 0.15 0.00 0.10 0.00 0.00 34.13 32.03 1s5a s GLU 39 CO -0.07 0.55 0.31 -0.06 0.02 0.00 0.00 175.26 176.01 1s5a s PHE 40 N -0.88 2.19 0.43 1.61 0.40 0.17 0.07 117.98 121.98 1s5a s PHE 40 Ca 0.14 -2.62 0.18 0.00 -0.60 0.00 0.00 56.93 54.02 1s5a s PHE 40 Cb -0.10 -1.92 1.10 0.00 0.51 0.00 0.00 43.02 42.61 1s5a s PHE 40 CO 0.04 -0.74 1.88 -1.35 0.70 0.00 0.00 175.22 175.75 1s5a h PRO 41 N 6.25 0.37 -0.41 0.24 0.11 -1.80 -2.33 132.00 134.42 1s5a h PRO 41 Ca 0.07 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1s5a h PRO 41 Cb 0.89 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1s5a h PRO 41 CO 0.52 0.24 0.00 0.66 -0.21 0.00 0.00 178.00 179.21 1s5a n TYR 42 N -4.48 1.51 -2.10 0.65 4.01 -1.26 -4.99 117.16 110.50 1s5a n TYR 42 Ca 0.17 -0.81 -0.41 0.00 -0.16 0.00 0.00 57.90 56.69 1s5a n TYR 42 Cb 0.66 -0.41 -0.03 0.00 -0.31 0.00 0.00 39.34 39.25 1s5a n TYR 42 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s5a s ALA 43 N -2.81 3.59 0.84 -0.72 0.00 -0.88 -4.63 121.76 117.16 1s5a s ALA 43 Ca 0.48 1.24 -0.09 0.00 0.00 0.00 0.00 51.96 53.59 1s5a s ALA 43 Cb 0.38 -3.53 0.16 0.00 0.00 0.00 0.00 23.12 20.13 1s5a s ALA 43 CO 0.12 -0.66 1.17 -1.25 0.00 0.00 0.00 175.76 175.15 1s5a s PRO 44 N -0.26 1.21 0.31 0.00 0.04 -1.26 -4.91 135.00 130.13 1s5a s PRO 44 Ca 0.58 -0.63 -0.29 0.00 0.04 0.00 0.00 61.00 60.70 1s5a s PRO 44 Cb -0.40 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 31.96 1s5a s PRO 44 CO 0.41 -1.92 1.40 0.39 0.04 0.00 0.00 177.00 177.32 1s5a n GLU 45 N -3.33 2.26 0.00 4.56 1.02 -1.26 -1.21 120.64 122.68 1s5a n GLU 45 Ca 0.14 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 58.08 1s5a n GLU 45 Cb 0.60 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 1s5a n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s5a n GLY 46 N 1.37 1.03 3.44 0.62 0.00 -1.26 -5.03 105.19 105.35 1s5a n GLY 46 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1s5a n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s5a s SER 47 N -2.67 3.72 0.39 1.61 0.01 -0.35 -5.11 113.70 111.30 1s5a s SER 47 Ca 0.00 -0.38 -0.26 0.00 1.31 0.00 0.00 55.95 56.62 1s5a s SER 47 Cb 0.00 -0.62 -0.09 0.00 0.21 0.00 0.00 66.02 65.52 1s5a s SER 47 CO 0.00 0.29 1.27 -2.16 0.41 0.00 0.00 173.24 173.05 1s5a s PRO 48 N -1.12 4.07 0.04 12.44 0.04 -1.26 -4.68 135.00 144.52 1s5a s PRO 48 Ca 0.13 2.09 0.22 0.00 0.04 0.00 0.00 61.00 63.48 1s5a s PRO 48 Cb -0.10 -2.81 -0.24 0.00 0.04 0.00 0.00 34.50 31.39 1s5a s PRO 48 CO 0.03 -0.38 0.64 1.63 0.04 0.00 0.00 177.00 178.96 1s5a n LYS 49 N 0.27 0.64 -3.67 4.56 4.76 -1.26 -4.63 118.16 118.83 1s5a n LYS 49 Ca 0.03 -0.10 -0.14 0.00 -2.87 0.00 0.00 58.31 55.24 1s5a n LYS 49 Cb 0.44 -1.61 -0.08 0.00 -1.84 0.00 0.00 35.03 31.93 1s5a n LYS 49 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1s5a s ARG 50 N -3.44 0.70 -0.03 1.97 3.52 -1.26 -0.65 118.95 119.76 1s5a s ARG 50 Ca -0.06 0.76 0.02 0.00 -0.13 0.00 0.00 55.73 56.33 1s5a s ARG 50 Cb 0.12 0.34 0.00 0.00 -1.56 0.00 0.00 34.95 33.86 1s5a s ARG 50 CO 0.87 -0.10 -0.09 0.42 -0.81 0.00 0.00 175.30 175.60 1s5a s ILE 51 N 0.20 0.77 -0.07 4.11 1.01 0.08 -5.00 121.20 122.29 1s5a s ILE 51 Ca -0.01 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.33 1s5a s ILE 51 Cb -0.04 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1s5a s ILE 51 CO 0.01 0.24 -0.18 -1.61 0.00 0.00 0.00 174.94 173.40 1s5a s GLU 52 N 0.23 2.25 0.00 2.79 2.02 -1.26 -0.89 118.70 123.84 1s5a s GLU 52 Ca -0.04 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.30 1s5a s GLU 52 Cb -0.09 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.34 1s5a s GLU 52 CO 0.01 0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1s5a n GLY 53 N 3.51 1.79 0.21 -1.39 0.00 0.07 -4.49 105.19 104.88 1s5a n GLY 53 Ca -0.20 -1.54 -0.02 0.00 0.00 0.00 0.00 46.02 44.26 1s5a n GLY 53 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s5a h LYS 54 N 0.00 0.31 -0.15 1.61 3.64 -1.25 -1.80 116.57 118.94 1s5a h LYS 54 Ca 0.00 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1s5a h LYS 54 Cb 0.00 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1s5a h LYS 54 CO 0.00 0.21 0.04 0.00 -2.27 0.00 0.00 179.45 177.43 1s5a h ALA 55 N 1.39 0.16 -0.77 5.00 0.00 -1.89 -0.83 119.26 122.32 1s5a h ALA 55 Ca 0.27 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1s5a h ALA 55 Cb 0.33 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1s5a h ALA 55 CO -0.30 -0.40 0.39 0.00 0.00 0.00 0.00 179.25 178.94 1s5a h ALA 56 N 1.10 1.23 -0.66 0.00 0.00 -1.71 0.08 119.26 119.31 1s5a h ALA 56 Ca 0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1s5a h ALA 56 Cb 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1s5a h ALA 56 CO -0.08 0.60 0.24 0.82 0.00 0.00 0.00 179.25 180.83 1s5a h ILE 57 N 1.09 1.23 -0.27 0.00 2.04 -0.93 0.10 117.51 120.77 1s5a h ILE 57 Ca 0.27 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 1s5a h ILE 57 Cb 0.08 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1s5a h ILE 57 CO -0.04 0.30 0.03 0.22 0.00 0.00 0.00 178.15 178.66 1s5a h TYR 58 N 0.95 0.49 -0.77 1.37 3.20 -0.38 -0.38 116.97 121.46 1s5a h TYR 58 Ca 0.22 -0.08 0.05 0.00 3.14 0.00 0.00 58.73 62.06 1s5a h TYR 58 Cb 0.22 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 1s5a h TYR 58 CO 0.02 0.58 0.51 -0.44 -1.64 0.00 0.00 178.16 177.19 1s5a h ASP 59 N 0.26 0.77 -0.19 -2.11 3.32 -0.40 0.10 116.42 118.17 1s5a h ASP 59 Ca 0.08 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1s5a h ASP 59 Cb 0.37 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1s5a h ASP 59 CO 0.01 0.51 -0.08 0.22 -1.72 0.00 0.00 179.24 178.18 1s5a h TYR 60 N 0.88 0.43 0.00 4.55 3.20 -0.35 -3.35 116.97 122.33 1s5a h TYR 60 Ca 0.32 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1s5a h TYR 60 Cb 0.15 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 1s5a h TYR 60 CO -0.00 0.67 -0.70 0.97 -1.64 0.00 0.00 178.16 177.46 1s5a h ILE 61 N 0.08 0.03 -1.01 1.81 6.09 -0.60 -3.40 117.51 120.50 1s5a h ILE 61 Ca 0.04 -1.05 0.23 0.00 -1.37 0.00 0.00 64.86 62.71 1s5a h ILE 61 Cb 0.55 1.69 -0.10 0.00 0.47 0.00 0.00 36.82 39.42 1s5a h ILE 61 CO 0.02 0.02 0.62 0.07 -3.07 0.00 0.00 178.15 175.81 1s5a h LYS 62 N 0.00 0.56 -0.69 2.19 2.10 -0.95 0.10 116.57 119.88 1s5a h LYS 62 Ca -0.01 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1s5a h LYS 62 Cb 1.02 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 1s5a h LYS 62 CO 0.00 0.37 0.00 -0.25 -2.00 0.00 0.00 179.45 177.57 1s5a n ASP 63 N -4.73 3.81 -0.01 7.07 8.00 -1.26 -4.49 116.55 124.93 1s5a n ASP 63 Ca 0.24 -2.00 -0.09 0.00 0.71 0.00 0.00 54.79 53.66 1s5a n ASP 63 Cb 0.72 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1s5a n ASP 63 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1s5a h TYR 64 N 4.23 -0.38 -0.02 1.24 3.20 -1.22 -1.29 116.97 122.74 1s5a h TYR 64 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1s5a h TYR 64 Cb 0.96 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.43 1s5a h TYR 64 CO 0.46 -0.22 0.02 -1.35 -1.64 0.00 0.00 178.16 175.43 1s5a h PRO 65 N -0.17 0.00 0.00 1.82 0.11 -1.77 -0.16 132.00 131.83 1s5a h PRO 65 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1s5a h PRO 65 Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1s5a h PRO 65 CO -0.26 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.16 1s5a n LYS 66 N -3.91 0.10 -0.04 1.05 5.02 -0.50 -4.01 118.16 115.88 1s5a n LYS 66 Ca -0.03 0.20 -0.05 0.00 -2.02 0.00 0.00 58.31 56.41 1s5a n LYS 66 Cb 0.10 -1.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 1s5a n LYS 66 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1s5a n GLN 67 N -1.83 0.18 -5.07 1.97 6.02 -0.28 -4.82 117.38 113.53 1s5a n GLN 67 Ca 0.05 0.04 -0.30 0.00 -0.01 0.00 0.00 57.00 56.78 1s5a n GLN 67 Cb 0.30 -1.11 -0.17 0.00 1.02 0.00 0.00 30.24 30.28 1s5a n GLN 67 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1s5a s ILE 68 N -2.14 1.83 -0.32 5.09 1.01 -0.23 -0.27 121.20 126.17 1s5a s ILE 68 Ca -0.10 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.55 1s5a s ILE 68 Cb 0.03 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 1s5a s ILE 68 CO 0.16 0.51 0.19 -2.28 0.00 0.00 0.00 174.94 173.52 1s5a s HIS 69 N 0.38 3.20 -0.18 3.97 5.65 0.27 -4.29 115.29 124.28 1s5a s HIS 69 Ca -0.17 -0.38 -0.17 0.00 0.25 0.00 0.00 55.06 54.59 1s5a s HIS 69 Cb -0.17 -2.40 -0.04 0.00 -1.18 0.00 0.00 32.58 28.79 1s5a s HIS 69 CO 0.07 -0.40 0.45 -0.51 -0.65 0.00 0.00 174.74 173.70 1s5a s LEU 70 N 1.66 4.19 -0.17 8.88 1.43 -1.26 -1.29 118.68 132.12 1s5a s LEU 70 Ca 0.05 0.63 0.05 0.00 -1.03 0.00 0.00 54.13 53.84 1s5a s LEU 70 Cb -0.17 -2.61 -0.22 0.00 0.03 0.00 0.00 46.19 43.22 1s5a s LEU 70 CO 0.08 -0.08 0.17 -0.24 0.23 0.00 0.00 176.35 176.51 1s5a n SER 71 N 4.33 1.39 -3.69 2.29 2.88 0.16 -4.82 113.62 116.16 1s5a n SER 71 Ca -0.07 0.09 -0.07 0.00 -1.33 0.00 0.00 58.87 57.49 1s5a n SER 71 Cb 0.51 -0.17 -0.02 0.00 -0.75 0.00 0.00 64.21 63.78 1s5a n SER 71 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1s5a s SER 72 N -6.37 -0.32 0.07 -3.46 1.04 -1.00 -4.98 113.70 98.68 1s5a s SER 72 Ca -0.20 -0.34 0.05 0.00 0.48 0.00 0.00 55.95 55.94 1s5a s SER 72 Cb 0.07 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 1s5a s SER 72 CO 0.74 -1.04 -0.14 -0.36 0.98 0.00 0.00 173.24 173.41 1s5a s PHE 73 N -3.60 1.23 0.78 5.02 0.08 -1.26 -1.33 117.98 118.90 1s5a s PHE 73 Ca 0.08 -0.44 -0.12 0.00 0.12 0.00 0.00 56.93 56.58 1s5a s PHE 73 Cb -0.03 -0.70 0.06 0.00 -0.57 0.00 0.00 43.02 41.79 1s5a s PHE 73 CO -0.01 0.06 1.15 0.95 -0.10 0.00 0.00 175.22 177.27 1s5a s THR 74 N -1.20 2.38 0.19 0.64 -4.23 0.04 -4.98 115.64 108.48 1s5a s THR 74 Ca -0.01 0.11 -0.30 0.00 -1.18 0.00 0.00 61.69 60.31 1s5a s THR 74 Cb -0.10 -3.12 -0.08 0.00 1.34 0.00 0.00 72.50 70.54 1s5a s THR 74 CO 0.02 -0.16 1.19 0.00 -0.54 0.00 0.00 174.62 175.13 1s5a s ALA 75 N -3.51 3.43 0.57 3.99 0.00 -1.26 -4.68 121.76 120.30 1s5a s ALA 75 Ca 0.61 0.94 -0.16 0.00 0.00 0.00 0.00 51.96 53.35 1s5a s ALA 75 Cb -0.11 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1s5a s ALA 75 CO 0.49 -0.36 1.04 -1.25 0.00 0.00 0.00 175.76 175.69 1s5a s PRO 76 N -0.27 3.47 -0.19 0.00 0.04 -1.26 -4.85 135.00 131.94 1s5a s PRO 76 Ca 0.52 1.17 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 1s5a s PRO 76 Cb -0.32 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 1s5a s PRO 76 CO 0.37 -0.68 -0.01 0.99 0.04 0.00 0.00 177.00 177.70 1s5a s THR 77 N -2.44 4.00 0.17 1.26 2.01 -0.24 -4.94 115.64 115.45 1s5a s THR 77 Ca 0.63 -0.30 0.11 0.00 0.31 0.00 0.00 61.69 62.44 1s5a s THR 77 Cb -0.15 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1s5a s THR 77 CO 0.35 0.45 -0.25 0.68 -0.69 0.00 0.00 174.62 175.15 1s5a s VAL 78 N 0.76 2.30 -0.09 3.82 -7.23 -1.26 -1.08 120.40 117.62 1s5a s VAL 78 Ca -0.00 -1.92 0.03 0.00 -1.81 0.00 0.00 61.98 58.28 1s5a s VAL 78 Cb -0.14 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.74 1s5a s VAL 78 CO 0.02 -0.03 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.29 1s5a s TYR 79 N -1.42 1.98 -0.29 2.82 2.02 0.04 -4.97 117.35 117.52 1s5a s TYR 79 Ca 0.18 -0.80 -0.13 0.00 -0.37 0.00 0.00 57.07 55.94 1s5a s TYR 79 Cb -0.09 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 1s5a s TYR 79 CO 0.08 -0.37 0.28 0.50 -1.57 0.00 0.00 175.55 174.48 1s5a s ARG 80 N 0.59 3.90 0.05 -0.62 3.52 -1.26 -1.58 118.95 123.54 1s5a s ARG 80 Ca -0.15 -0.22 -0.31 0.00 -0.13 0.00 0.00 55.73 54.93 1s5a s ARG 80 Cb -0.17 -3.69 -0.07 0.00 -1.56 0.00 0.00 34.95 29.47 1s5a s ARG 80 CO 0.05 -0.28 1.53 0.45 -0.81 0.00 0.00 175.30 176.24 1s5a s SER 81 N 1.71 6.72 0.21 -2.12 0.15 -0.84 -4.92 113.70 114.61 1s5a s SER 81 Ca 0.11 2.32 -0.06 0.00 0.70 0.00 0.00 55.95 59.02 1s5a s SER 81 Cb -0.16 -2.56 0.16 0.00 -1.71 0.00 0.00 66.02 61.74 1s5a s SER 81 CO 0.11 -0.80 1.64 0.00 1.20 0.00 0.00 173.24 175.39 1s5a h ALA 82 N 7.95 0.87 -0.01 5.45 0.00 -1.96 -3.34 119.26 128.22 1s5a h ALA 82 Ca -0.41 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1s5a h ALA 82 Cb 1.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1s5a h ALA 82 CO 0.91 0.64 -0.63 -0.25 0.00 0.00 0.00 179.25 179.92 1s5a n ASP 83 N -4.14 1.74 -3.97 0.00 8.00 -1.26 -5.01 116.55 111.90 1s5a n ASP 83 Ca 0.01 -1.37 -0.09 0.00 0.71 0.00 0.00 54.79 54.05 1s5a n ASP 83 Cb 0.40 0.63 -0.07 0.00 -0.02 0.00 0.00 41.12 42.05 1s5a n ASP 83 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1s5a s SER 84 N -2.63 0.09 -1.46 -2.24 1.04 -1.25 -5.05 113.70 102.19 1s5a s SER 84 Ca 0.15 -0.89 -0.11 0.00 0.48 0.00 0.00 55.95 55.59 1s5a s SER 84 Cb 0.17 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.73 1s5a s SER 84 CO 0.66 -0.85 2.41 0.59 0.98 0.00 0.00 173.24 177.03 1s5a n ASN 85 N -0.18 6.12 -4.07 7.02 5.03 -1.26 -4.48 115.26 123.45 1s5a n ASN 85 Ca -0.08 -2.84 -0.20 0.00 0.87 0.00 0.00 54.58 52.32 1s5a n ASN 85 Cb 0.63 -1.56 -0.15 0.00 -1.02 0.00 0.00 39.78 37.68 1s5a n ASN 85 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1s5a s THR 86 N 1.83 0.90 -0.02 3.41 2.01 -1.26 -2.67 115.64 119.85 1s5a s THR 86 Ca 0.54 -0.54 0.06 0.00 0.31 0.00 0.00 61.69 62.05 1s5a s THR 86 Cb 0.15 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 1s5a s THR 86 CO -0.06 0.21 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.21 1s5a s VAL 87 N -0.34 1.46 -0.14 3.82 1.01 0.22 -1.98 120.40 124.45 1s5a s VAL 87 Ca 0.04 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1s5a s VAL 87 Cb -0.05 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1s5a s VAL 87 CO -0.00 0.41 -0.13 -0.63 0.00 0.00 0.00 175.10 174.76 1s5a s ILE 88 N -0.39 3.02 -0.01 2.22 1.09 -0.61 -0.11 121.20 126.40 1s5a s ILE 88 Ca 0.06 -0.66 0.05 0.00 -1.10 0.00 0.00 60.65 58.99 1s5a s ILE 88 Cb -0.08 -2.28 -0.01 0.00 -1.06 0.00 0.00 42.46 39.03 1s5a s ILE 88 CO -0.00 0.51 -0.15 0.00 -0.10 0.00 0.00 174.94 175.20 1s5a s ALA 89 N 0.53 1.24 -0.11 9.38 0.00 0.02 -0.78 121.76 132.05 1s5a s ALA 89 Ca -0.08 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1s5a s ALA 89 Cb -0.16 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 1s5a s ALA 89 CO 0.04 0.30 -0.22 -1.21 0.00 0.00 0.00 175.76 174.67 1s5a s GLU 90 N -0.34 3.11 0.19 0.00 2.02 -0.24 -0.31 118.70 123.12 1s5a s GLU 90 Ca 0.06 -0.84 -0.23 0.00 0.02 0.00 0.00 54.97 53.98 1s5a s GLU 90 Cb -0.06 -2.37 0.06 0.00 0.10 0.00 0.00 34.13 31.87 1s5a s GLU 90 CO -0.01 0.18 0.64 -0.59 0.02 0.00 0.00 175.26 175.50 1s5a s PHE 91 N 0.37 -0.45 0.15 1.61 -0.12 -0.87 -1.08 117.98 117.59 1s5a s PHE 91 Ca -0.17 0.18 0.07 0.00 -0.05 0.00 0.00 56.93 56.96 1s5a s PHE 91 Cb -0.18 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 1s5a s PHE 91 CO 0.08 -0.94 -0.15 -0.65 -0.05 0.00 0.00 175.22 173.52 1s5a s GLN 92 N -3.78 1.15 0.29 1.99 -0.21 -1.26 -0.33 119.66 117.52 1s5a s GLN 92 Ca 0.03 -1.37 0.07 0.00 0.02 0.00 0.00 55.36 54.12 1s5a s GLN 92 Cb -0.02 -1.02 -0.06 0.00 1.00 0.00 0.00 33.01 32.91 1s5a s GLN 92 CO -0.08 0.19 -0.06 0.00 -2.12 0.00 0.00 175.29 173.22 1s5a s ASP 94 N -3.47 1.26 0.00 0.00 -1.08 -0.44 -3.22 116.67 109.72 1s5a s ASP 94 Ca 0.30 -0.36 0.00 0.00 -0.52 0.00 0.00 52.55 51.97 1s5a s ASP 94 Cb 0.04 -0.08 0.00 0.00 -1.46 0.00 0.00 42.92 41.41 1s5a s ASP 94 CO 0.13 0.02 0.00 0.61 0.52 0.00 0.00 175.17 176.44 1s5a n GLY 95 N 2.18 -0.56 3.41 2.66 0.00 -0.92 0.39 105.19 112.36 1s5a n GLY 95 Ca -0.17 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 1s5a n GLY 95 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1s5a s HIS 96 N -3.52 -0.43 -0.01 1.61 -3.43 -0.41 -0.22 115.29 108.88 1s5a s HIS 96 Ca 0.00 0.17 -0.22 0.00 -0.80 0.00 0.00 55.06 54.22 1s5a s HIS 96 Cb 0.00 0.48 -0.05 0.00 -1.43 0.00 0.00 32.58 31.58 1s5a s HIS 96 CO 0.00 -0.83 0.64 0.08 -2.00 0.00 0.00 174.74 172.63 1s5a s VAL 97 N -3.77 4.92 0.08 -5.38 1.01 -0.32 -0.57 120.40 116.36 1s5a s VAL 97 Ca 0.02 1.34 -0.18 0.00 0.00 0.00 0.00 61.98 63.16 1s5a s VAL 97 Cb -0.00 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1s5a s VAL 97 CO -0.12 0.37 1.48 0.40 0.00 0.00 0.00 175.10 177.23 1s5a h ILE 98 N 4.29 1.28 -0.57 2.22 2.04 -0.95 0.33 117.51 126.15 1s5a h ILE 98 Ca -0.44 -1.06 -0.08 0.00 1.00 0.00 0.00 64.86 64.28 1s5a h ILE 98 Cb 1.20 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 1s5a h ILE 98 CO 0.71 0.33 0.04 -0.08 0.00 0.00 0.00 178.15 179.15 1s5a h GLU 99 N 0.22 0.95 0.00 2.37 4.81 -1.88 -3.25 114.58 117.80 1s5a h GLU 99 Ca 0.06 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1s5a h GLU 99 Cb 0.52 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1s5a h GLU 99 CO 0.02 0.91 -1.90 0.25 -0.73 0.00 0.00 179.01 177.56 1s5a n THR 100 N -4.21 0.04 -0.88 0.32 -2.24 -1.23 -4.98 114.28 101.10 1s5a n THR 100 Ca 0.03 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1s5a n THR 100 Cb 0.31 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1s5a n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s5a n GLY 101 N 1.26 0.74 3.78 3.38 0.00 0.12 -5.00 105.19 109.47 1s5a n GLY 101 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1s5a n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s5a s LEU 102 N 0.00 4.14 0.54 0.99 1.43 -1.24 -4.71 118.68 119.83 1s5a s LEU 102 Ca 0.00 2.03 -0.21 0.00 -1.03 0.00 0.00 54.13 54.92 1s5a s LEU 102 Cb 0.00 -4.18 -0.06 0.00 0.03 0.00 0.00 46.19 41.97 1s5a s LEU 102 CO 0.00 -0.48 1.09 -2.65 0.23 0.00 0.00 176.35 174.54 1s5a n PRO 103 N -0.07 1.24 -3.72 1.29 -0.02 -1.26 -1.18 135.00 131.29 1s5a n PRO 103 Ca 0.05 0.46 -0.30 0.00 -2.02 0.00 0.00 63.50 61.70 1s5a n PRO 103 Cb 0.50 -2.26 -0.14 0.00 -0.02 0.00 0.00 33.50 31.58 1s5a n PRO 103 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1s5a s TYR 104 N -1.39 1.87 -0.57 6.00 5.04 0.70 -4.66 117.35 124.33 1s5a s TYR 104 Ca 0.71 -2.14 -0.00 0.00 -2.44 0.00 0.00 57.07 53.20 1s5a s TYR 104 Cb -0.45 -1.80 0.15 0.00 0.35 0.00 0.00 41.96 40.21 1s5a s TYR 104 CO 0.50 -0.83 0.36 1.03 -1.34 0.00 0.00 175.55 175.27 1s5a s ARG 105 N 0.88 2.32 0.14 4.97 0.52 -1.26 -2.15 118.95 124.38 1s5a s ARG 105 Ca 0.15 -2.51 -0.03 0.00 -0.52 0.00 0.00 55.73 52.81 1s5a s ARG 105 Cb -0.22 -3.58 -0.05 0.00 0.52 0.00 0.00 34.95 31.62 1s5a s ARG 105 CO -0.09 -1.14 0.35 -1.14 0.02 0.00 0.00 175.30 173.30 1s5a s GLN 106 N -0.06 3.56 -0.16 3.54 2.00 -1.20 -4.91 119.66 122.43 1s5a s GLN 106 Ca 0.16 -0.21 0.01 0.00 -2.00 0.00 0.00 55.36 53.33 1s5a s GLN 106 Cb -0.22 -2.88 0.01 0.00 0.80 0.00 0.00 33.01 30.73 1s5a s GLN 106 CO -0.03 0.47 -0.20 -1.12 -0.50 0.00 0.00 175.29 173.92 1s5a s SER 107 N -2.64 3.19 0.10 6.67 0.01 -1.26 -1.44 113.70 118.34 1s5a s SER 107 Ca 0.39 -0.61 0.07 0.00 1.31 0.00 0.00 55.95 57.11 1s5a s SER 107 Cb -0.12 -1.48 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 1s5a s SER 107 CO 0.26 0.04 -0.10 -0.31 0.41 0.00 0.00 173.24 173.54 1s5a s TYR 108 N 1.08 2.75 -0.07 2.43 2.02 0.56 -3.85 117.35 122.26 1s5a s TYR 108 Ca -0.00 -0.15 -0.03 0.00 -0.37 0.00 0.00 57.07 56.52 1s5a s TYR 108 Cb -0.14 -1.43 0.04 0.00 -0.40 0.00 0.00 41.96 40.02 1s5a s TYR 108 CO -0.08 0.43 0.10 -1.50 -1.57 0.00 0.00 175.55 172.93 1s5a s ILE 109 N -1.22 -0.16 -0.00 2.71 2.07 -0.96 -2.04 121.20 121.59 1s5a s ILE 109 Ca 0.22 0.33 0.06 0.00 -1.41 0.00 0.00 60.65 59.85 1s5a s ILE 109 Cb -0.11 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 1s5a s ILE 109 CO 0.14 0.11 -0.20 -0.44 -1.91 0.00 0.00 174.94 172.64 1s5a s SER 110 N 2.21 3.60 -0.28 4.50 0.01 0.58 -1.86 113.70 122.46 1s5a s SER 110 Ca 0.04 -0.38 -0.01 0.00 1.31 0.00 0.00 55.95 56.91 1s5a s SER 110 Cb -0.13 -0.58 0.05 0.00 0.21 0.00 0.00 66.02 65.57 1s5a s SER 110 CO -0.05 0.30 -0.04 -0.69 0.41 0.00 0.00 173.24 173.18 1s5a s VAL 111 N -0.77 2.81 -0.20 3.43 1.01 -0.61 -0.80 120.40 125.28 1s5a s VAL 111 Ca 0.12 -1.34 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 1s5a s VAL 111 Cb -0.10 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1s5a s VAL 111 CO 0.02 -0.02 -0.12 -0.63 0.00 0.00 0.00 175.10 174.35 1s5a s ILE 112 N 1.24 2.77 -0.16 2.22 1.01 0.84 -0.97 121.20 128.15 1s5a s ILE 112 Ca -0.05 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 1s5a s ILE 112 Cb -0.19 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 1s5a s ILE 112 CO -0.03 0.48 0.08 -0.70 0.00 0.00 0.00 174.94 174.77 1s5a s GLU 113 N 1.37 3.81 0.05 2.79 2.12 0.32 -0.61 118.70 128.56 1s5a s GLU 113 Ca 0.05 -0.30 -0.00 0.00 0.36 0.00 0.00 54.97 55.08 1s5a s GLU 113 Cb -0.14 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1s5a s GLU 113 CO -0.07 0.41 -0.04 0.95 -0.54 0.00 0.00 175.26 175.97 1s5a s THR 114 N -0.00 0.29 -0.06 -1.70 -4.23 -1.09 -0.80 115.64 108.05 1s5a s THR 114 Ca 0.07 -1.74 -0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1s5a s THR 114 Cb -0.12 -1.42 0.04 0.00 1.34 0.00 0.00 72.50 72.34 1s5a s THR 114 CO 0.01 -0.93 0.09 -0.60 -0.54 0.00 0.00 174.62 172.65 1s5a s ARG 115 N -3.65 -0.04 -1.36 3.99 3.52 -0.59 -4.79 118.95 116.04 1s5a s ARG 115 Ca 0.05 0.40 -0.01 0.00 -0.13 0.00 0.00 55.73 56.04 1s5a s ARG 115 Cb 0.06 -0.54 0.00 0.00 -1.56 0.00 0.00 34.95 32.91 1s5a s ARG 115 CO -0.08 -0.35 0.13 -3.47 -0.81 0.00 0.00 175.30 170.72 1s5a n ASP 116 N 5.31 -4.95 0.00 -2.12 2.03 -1.26 -1.91 116.55 113.65 1s5a n ASP 116 Ca -0.04 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1s5a n ASP 116 Cb 0.50 -3.99 0.00 0.00 -0.72 0.00 0.00 41.12 36.91 1s5a n ASP 116 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s5a n GLY 117 N -1.11 3.07 3.73 0.27 0.00 -1.26 -5.01 105.19 104.88 1s5a n GLY 117 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1s5a n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s5a s ARG 118 N -0.25 4.60 -0.09 1.61 0.52 -0.80 -4.72 118.95 119.83 1s5a s ARG 118 Ca 0.00 1.67 -0.30 0.00 -0.52 0.00 0.00 55.73 56.58 1s5a s ARG 118 Cb 0.00 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 1s5a s ARG 118 CO 0.00 0.08 1.40 0.42 0.02 0.00 0.00 175.30 177.21 1s5a s ILE 119 N -0.10 3.95 -0.13 1.52 1.01 -0.53 -1.53 121.20 125.39 1s5a s ILE 119 Ca 0.50 1.22 0.13 0.00 0.00 0.00 0.00 60.65 62.49 1s5a s ILE 119 Cb -0.28 -3.78 -0.18 0.00 0.01 0.00 0.00 42.46 38.22 1s5a s ILE 119 CO 0.33 -0.07 0.08 1.33 0.00 0.00 0.00 174.94 176.61 1s5a n VAL 120 N 5.17 0.88 -3.70 2.92 0.24 0.02 -0.92 118.33 122.93 1s5a n VAL 120 Ca 0.14 -0.58 -0.12 0.00 -2.04 0.00 0.00 64.34 61.75 1s5a n VAL 120 Cb 0.44 -0.54 -0.10 0.00 -1.47 0.00 0.00 33.84 32.17 1s5a n VAL 120 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1s5a s ARG 121 N -2.42 0.48 -0.13 7.34 3.52 -1.13 -1.16 118.95 125.45 1s5a s ARG 121 Ca -0.07 0.74 -0.03 0.00 -0.13 0.00 0.00 55.73 56.24 1s5a s ARG 121 Cb 0.05 0.12 0.04 0.00 -1.56 0.00 0.00 34.95 33.61 1s5a s ARG 121 CO 0.59 -0.11 0.04 -0.47 -0.81 0.00 0.00 175.30 174.54 1s5a s TYR 122 N 0.85 0.61 -0.36 5.12 6.04 -0.48 -0.52 117.35 128.62 1s5a s TYR 122 Ca -0.05 -0.36 -0.12 0.00 0.04 0.00 0.00 57.07 56.57 1s5a s TYR 122 Cb -0.06 -0.81 0.00 0.00 -1.04 0.00 0.00 41.96 40.06 1s5a s TYR 122 CO -0.07 -0.44 0.23 1.03 -1.54 0.00 0.00 175.55 174.76 1s5a s ARG 123 N 1.99 3.18 -0.66 4.97 0.52 -0.15 -0.52 118.95 128.28 1s5a s ARG 123 Ca 0.02 -0.85 -0.13 0.00 -0.52 0.00 0.00 55.73 54.26 1s5a s ARG 123 Cb -0.15 -3.78 0.17 0.00 0.52 0.00 0.00 34.95 31.72 1s5a s ARG 123 CO -0.07 -0.57 0.59 0.34 0.02 0.00 0.00 175.30 175.61 1s5a s ASP 124 N 1.65 6.26 -0.07 0.23 2.15 0.11 -1.58 116.67 125.42 1s5a s ASP 124 Ca 0.05 -2.32 -0.23 0.00 0.43 0.00 0.00 52.55 50.48 1s5a s ASP 124 Cb -0.18 -2.14 -0.04 0.00 -0.30 0.00 0.00 42.92 40.26 1s5a s ASP 124 CO 0.09 -0.66 0.69 -0.31 -0.17 0.00 0.00 175.17 174.81 1s5a s TYR 125 N 0.76 3.57 0.09 -5.34 2.02 -0.78 -4.21 117.35 113.46 1s5a s TYR 125 Ca 0.11 1.23 -0.04 0.00 -0.37 0.00 0.00 57.07 58.00 1s5a s TYR 125 Cb -0.20 -2.79 -0.02 0.00 -0.40 0.00 0.00 41.96 38.55 1s5a s TYR 125 CO -0.03 0.09 0.08 1.67 -1.57 0.00 0.00 175.55 175.79 1s5a s TRP 126 N 0.79 0.44 -0.46 2.71 1.48 -1.26 -2.27 118.94 120.37 1s5a s TRP 126 Ca 0.37 -0.91 -0.28 0.00 -1.06 0.00 0.00 56.10 54.23 1s5a s TRP 126 Cb -0.18 -0.26 0.03 0.00 -1.16 0.00 0.00 33.47 31.90 1s5a s TRP 126 CO 0.18 -0.49 1.05 1.21 -4.06 0.00 0.00 176.95 174.84 1s5a s ASN 127 N -2.92 6.60 0.50 -2.66 3.84 -1.25 -4.76 114.94 114.29 1s5a s ASN 127 Ca 0.10 0.38 0.23 0.00 0.21 0.00 0.00 52.86 53.78 1s5a s ASN 127 Cb 0.06 -2.51 1.31 0.00 -0.55 0.00 0.00 41.25 39.56 1s5a s ASN 127 CO -0.08 -1.15 2.04 1.55 -2.79 0.00 0.00 177.10 176.68 1s5a h PRO 128 N 9.08 0.00 -0.03 0.43 0.13 -1.98 -2.28 132.00 137.35 1s5a h PRO 128 Ca -0.23 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.77 1s5a h PRO 128 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1s5a h PRO 128 CO 1.08 0.15 -0.58 1.25 -0.23 0.00 0.00 178.00 179.67 1s5a h LEU 129 N 0.00 0.11 -0.43 1.56 6.46 -1.95 0.10 115.31 121.16 1s5a h LEU 129 Ca -0.00 -0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.58 1s5a h LEU 129 Cb 0.34 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1s5a h LEU 129 CO 0.02 0.66 -0.17 0.58 -0.62 0.00 0.00 178.44 178.91 1s5a h VAL 130 N 0.07 1.28 -0.01 1.05 2.07 -1.82 -1.41 116.25 117.48 1s5a h VAL 130 Ca -0.00 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 1s5a h VAL 130 Cb 1.04 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1s5a h VAL 130 CO 0.08 0.44 0.00 0.58 0.02 0.00 0.00 177.57 178.70 1s5a h VAL 131 N 0.71 1.18 -0.38 2.57 2.07 -1.29 -2.24 116.25 118.88 1s5a h VAL 131 Ca 0.10 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1s5a h VAL 131 Cb 0.73 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1s5a h VAL 131 CO 0.06 0.14 0.12 0.50 0.02 0.00 0.00 177.57 178.41 1s5a h LYS 132 N -0.21 0.26 -0.35 1.57 3.64 -0.76 -1.06 116.57 119.67 1s5a h LYS 132 Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1s5a h LYS 132 Cb 0.23 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1s5a h LYS 132 CO 0.00 0.17 0.12 1.49 -2.27 0.00 0.00 179.45 178.96 1s5a h GLU 133 N 0.27 0.53 0.00 1.90 4.81 -1.26 0.32 114.58 121.15 1s5a h GLU 133 Ca 0.17 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1s5a h GLU 133 Cb 0.16 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1s5a h GLU 133 CO -0.19 0.55 -0.16 0.00 -0.73 0.00 0.00 179.01 178.48 1s5a h ALA 134 N 0.96 1.31 -0.45 2.92 0.00 -1.13 -0.95 119.26 121.91 1s5a h ALA 134 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s5a h ALA 134 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1s5a h ALA 134 CO -0.01 0.20 0.00 1.19 0.00 0.00 0.00 179.25 180.64 1s5a n PHE 135 N -3.74 0.81 -2.28 0.00 3.72 -0.42 -4.51 117.46 111.05 1s5a n PHE 135 Ca -0.02 -0.36 -0.19 0.00 -0.05 0.00 0.00 57.45 56.84 1s5a n PHE 135 Cb 0.27 -0.09 -0.02 0.00 -0.94 0.00 0.00 39.48 38.71 1s5a n PHE 135 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s5a n GLY 136 N 1.05 -0.19 0.00 1.37 0.00 -0.36 -2.35 105.19 104.71 1s5a n GLY 136 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1s5a n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5a n GLY 137 N -0.98 2.01 0.00 -0.02 0.00 0.11 -5.01 105.19 101.29 1s5a n GLY 137 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1s5a n GLY 137 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s5a n SER 138 N 0.00 0.00 -3.75 1.61 2.88 -0.99 -4.98 113.62 108.38 1s5a n SER 138 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1s5a n SER 138 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1s5a n SER 138 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1s5a s PHE 139 N 1.38 -0.07 0.24 0.66 5.36 -1.26 -4.29 117.98 119.99 1s5a s PHE 139 Ca 0.00 -0.28 -0.31 0.00 -0.96 0.00 0.00 56.93 55.38 1s5a s PHE 139 Cb 0.00 0.33 -0.13 0.00 -0.34 0.00 0.00 43.02 42.88 1s5a s PHE 139 CO 0.00 -0.87 1.51 -0.11 -1.46 0.00 0.00 175.22 174.29 1s5a n LEU 140 N -0.31 3.48 -0.88 6.12 7.94 -1.26 -5.05 117.00 127.04 1s5a n LEU 140 Ca -0.10 1.13 0.11 0.00 -1.11 0.00 0.00 56.01 56.03 1s5a n LEU 140 Cb 0.63 -1.48 0.09 0.00 0.53 0.00 0.00 43.42 43.19 1s5a n LEU 140 CO 0.18 -0.24 0.60 0.00 -1.11 0.00 0.00 177.39 176.82