#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5a s ASN -1 N 0.00 -0.12 0.00 -3.46 3.84 -1.26 -5.10 114.94 108.83 1s5a s ASN -1 Ca 0.00 -0.15 0.00 0.00 0.21 0.00 0.00 52.86 52.92 1s5a s ASN -1 Cb 0.00 1.35 0.00 0.00 -0.55 0.00 0.00 41.25 42.05 1s5a s ASN -1 CO 0.00 -0.33 0.00 0.00 -2.79 0.00 0.00 177.10 173.98 1s5a n ALA 0 N 5.37 1.17 -0.44 1.71 0.00 -1.26 -4.67 120.51 122.39 1s5a n ALA 0 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1s5a n ALA 0 Cb 0.50 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1s5a n ALA 0 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s5a n LEU 2 N 0.78 0.00 0.00 0.00 4.77 -1.26 -4.68 117.00 116.61 1s5a n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1s5a n LEU 2 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1s5a n LEU 2 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.65 1s5a n ASN 4 N 0.00 0.00 0.06 -1.43 3.02 -1.26 -1.31 115.26 114.34 1s5a n ASN 4 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1s5a n ASN 4 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 1s5a n ASN 4 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1s5a h GLU 5 N 0.00 0.36 -0.60 3.52 4.57 -1.97 -2.99 114.58 117.47 1s5a h GLU 5 Ca 0.00 -0.31 -0.08 0.00 -1.18 0.00 0.00 59.36 57.79 1s5a h GLU 5 Cb 0.00 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1s5a h GLU 5 CO 0.00 0.96 0.04 0.35 -1.18 0.00 0.00 179.01 179.18 1s5a h PHE 6 N 0.24 1.08 -0.94 0.92 3.57 -1.60 1.00 116.94 121.20 1s5a h PHE 6 Ca -0.04 -0.16 0.05 0.00 3.53 0.00 0.00 57.97 61.36 1s5a h PHE 6 Cb 1.35 -0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 1s5a h PHE 6 CO 0.04 0.94 0.60 0.93 -2.23 0.00 0.00 178.31 178.60 1s5a h GLU 7 N 0.93 1.09 -0.31 1.11 5.08 -1.81 0.90 114.58 121.57 1s5a h GLU 7 Ca 0.18 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 1s5a h GLU 7 Cb 0.49 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1s5a h GLU 7 CO 0.02 0.72 -0.29 0.87 -1.00 0.00 0.00 179.01 179.33 1s5a h LYS 8 N 1.12 0.75 -0.78 2.33 1.57 -1.25 -2.70 116.57 117.61 1s5a h LYS 8 Ca 0.40 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1s5a h LYS 8 Cb 0.11 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1s5a h LYS 8 CO -0.15 1.01 0.49 0.00 -0.57 0.00 0.00 179.45 180.23 1s5a h ALA 9 N 0.72 0.99 -0.82 3.86 0.00 -0.27 0.01 119.26 123.75 1s5a h ALA 9 Ca 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1s5a h ALA 9 Cb 0.87 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1s5a h ALA 9 CO 0.07 0.44 0.41 0.00 0.00 0.00 0.00 179.25 180.17 1s5a h GLU 11 N 1.16 0.63 -0.74 0.00 4.81 -1.08 -1.52 114.58 117.84 1s5a h GLU 11 Ca 0.28 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1s5a h GLU 11 Cb 0.09 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1s5a h GLU 11 CO -0.04 0.71 0.26 1.15 -0.73 0.00 0.00 179.01 180.36 1s5a h THR 12 N 0.46 1.25 -0.64 0.32 2.02 -0.64 -1.20 112.91 114.49 1s5a h THR 12 Ca 0.11 -0.85 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 1s5a h THR 12 Cb 0.40 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1s5a h THR 12 CO 0.01 0.34 0.10 0.25 0.37 0.00 0.00 175.52 176.58 1s5a h LEU 13 N 1.08 1.00 -0.31 2.58 5.85 -0.76 0.73 115.31 125.49 1s5a h LEU 13 Ca 0.24 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1s5a h LEU 13 Cb 0.26 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1s5a h LEU 13 CO -0.01 1.00 -0.00 -0.09 -0.34 0.00 0.00 178.44 178.99 1s5a h ARG 14 N 0.98 0.55 -0.20 1.25 2.43 -0.96 -2.90 114.38 115.53 1s5a h ARG 14 Ca 0.19 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1s5a h ARG 14 Cb 0.43 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1s5a h ARG 14 CO 0.01 0.69 -0.12 0.87 -1.51 0.00 0.00 179.97 179.92 1s5a h LYS 15 N 0.34 0.32 0.00 0.20 1.57 -1.01 0.26 116.57 118.25 1s5a h LYS 15 Ca 0.09 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1s5a h LYS 15 Cb 0.45 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1s5a h LYS 15 CO 0.02 0.44 0.00 0.34 -0.57 0.00 0.00 179.45 179.68 1s5a n PHE 16 N -4.26 0.00 0.00 -1.35 7.35 0.23 -0.53 117.46 118.91 1s5a n PHE 16 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1s5a n PHE 16 Cb 0.28 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.11 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 -0.29 0.00 0.19 3.13 0.00 0.08 -4.73 120.51 118.89 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 0.31 -1.14 117.16 120.34 1s5a n TYR 19 Ca 0.00 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1s5a n TYR 19 Cb 0.00 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 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 1.07 0.00 -0.18 7.72 4.77 -1.26 -0.78 117.00 128.33 1s5a n LEU 21 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1s5a n LEU 21 Cb 0.14 0.00 0.56 0.00 -2.33 0.00 0.00 43.42 41.78 1s5a n LEU 21 CO 0.00 0.00 0.83 -0.62 -1.33 0.00 0.00 177.39 176.27 1s5a n GLU 22 N 0.00 0.84 -1.74 3.23 1.02 -0.29 -4.90 120.64 118.80 1s5a n GLU 22 Ca 0.00 -0.36 -0.15 0.00 -0.02 0.00 0.00 57.16 56.62 1s5a n GLU 22 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.88 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 -0.76 -1.13 -3.66 3.49 5.02 -0.40 -5.17 118.16 115.55 1s5a n LYS 23 Ca 0.15 0.94 -0.30 0.00 -2.02 0.00 0.00 58.31 57.08 1s5a n LYS 23 Cb 0.30 -5.17 -0.04 0.00 -0.02 0.00 0.00 35.03 30.10 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 -2.65 6.44 0.00 4.39 -1.08 0.03 -4.96 116.67 118.85 1s5a s ASP 24 Ca 0.00 0.52 0.00 0.00 -0.52 0.00 0.00 52.55 52.55 1s5a s ASP 24 Cb 0.00 -2.06 0.00 0.00 -1.46 0.00 0.00 42.92 39.40 1s5a s ASP 24 CO 0.00 -0.00 0.00 0.29 0.52 0.00 0.00 175.17 175.98 1s5a n LYS 26 N -0.28 0.00 -0.07 4.34 5.02 -1.26 -1.97 118.16 123.93 1s5a n LYS 26 Ca -0.03 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.15 1s5a n LYS 26 Cb 0.53 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.57 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 0.83 -0.68 4.39 0.02 -1.97 -2.99 113.55 113.14 1s5a h SER 27 Ca 0.00 -0.37 0.03 0.00 -0.84 0.00 0.00 61.79 60.60 1s5a h SER 27 Cb 0.00 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.27 1s5a h SER 27 CO 0.00 1.12 0.43 -0.25 -1.14 0.00 0.00 176.83 176.99 1s5a h TRP 28 N 0.64 0.80 -0.02 3.45 7.01 -1.75 -2.29 115.95 123.78 1s5a h TRP 28 Ca 0.05 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.04 1s5a h TRP 28 Cb 0.95 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.74 1s5a h TRP 28 CO 0.05 0.46 -0.16 1.15 -2.79 0.00 0.00 178.44 177.16 1s5a h THR 29 N 0.84 1.12 0.00 2.65 2.02 -1.80 -2.35 112.91 115.40 1s5a h THR 29 Ca 0.27 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1s5a h THR 29 Cb 0.01 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1s5a h THR 29 CO -0.10 0.17 0.00 -0.62 0.37 0.00 0.00 175.52 175.34 1s5a n GLU 30 N -4.34 0.19 0.03 6.66 -0.58 -0.86 -1.95 120.64 119.79 1s5a n GLU 30 Ca -0.02 0.15 0.14 0.00 -0.42 0.00 0.00 57.16 57.00 1s5a n GLU 30 Cb 0.23 -1.50 0.53 0.00 -0.57 0.00 0.00 31.44 30.13 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 -1.32 0.28 -4.90 -4.62 4.77 -0.88 -4.86 117.00 105.48 1s5a n LEU 31 Ca 0.07 0.49 -0.33 0.00 -0.03 0.00 0.00 56.01 56.22 1s5a n LEU 31 Cb 0.14 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 1s5a n LEU 31 CO 0.13 -0.05 -0.05 0.26 -1.33 0.00 0.00 177.39 176.34 1s5a s TRP 32 N -3.03 3.53 0.56 -1.77 0.52 -0.82 -1.18 118.94 116.74 1s5a s TRP 32 Ca 0.13 0.48 -0.19 0.00 0.02 0.00 0.00 56.10 56.54 1s5a s TRP 32 Cb 0.17 -1.93 -0.05 0.00 -1.15 0.00 0.00 33.47 30.51 1s5a s TRP 32 CO 0.56 0.55 1.12 0.34 0.02 0.00 0.00 176.95 179.54 1s5a s ASP 33 N -2.17 5.66 0.38 2.95 2.15 -0.23 -4.79 116.67 120.62 1s5a s ASP 33 Ca 0.34 2.12 0.12 0.00 0.43 0.00 0.00 52.55 55.56 1s5a s ASP 33 Cb -0.13 -2.57 0.92 0.00 -0.30 0.00 0.00 42.92 40.84 1s5a s ASP 33 CO 0.22 -1.26 1.87 -0.08 -0.17 0.00 0.00 175.17 175.75 1s5a h GLU 34 N 1.00 0.56 -0.47 4.34 4.81 -1.97 -2.34 114.58 120.51 1s5a h GLU 34 Ca -0.49 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 58.42 1s5a h GLU 34 Cb 1.26 -0.13 -0.18 0.00 0.63 0.00 0.00 28.75 30.33 1s5a h GLU 34 CO 0.57 0.37 -0.14 0.09 -0.73 0.00 0.00 179.01 179.16 1s5a n ASN 35 N -4.54 3.29 -4.73 1.04 3.02 -1.26 -1.19 115.26 110.89 1s5a n ASN 35 Ca 0.18 -3.80 -0.32 0.00 -0.03 0.00 0.00 54.58 50.61 1s5a n ASN 35 Cb 0.54 -0.62 0.10 0.00 -0.61 0.00 0.00 39.78 39.20 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 -3.37 2.04 -0.10 5.41 0.00 -0.88 -4.48 121.76 120.38 1s5a s ALA 36 Ca 0.47 0.57 0.04 0.00 0.00 0.00 0.00 51.96 53.05 1s5a s ALA 36 Cb 0.42 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 20.15 1s5a s ALA 36 CO -0.00 -1.98 -0.24 0.08 0.00 0.00 0.00 175.76 173.62 1s5a s VAL 37 N -2.48 2.10 -0.22 0.00 1.01 -0.78 -0.51 120.40 119.52 1s5a s VAL 37 Ca 0.67 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1s5a s VAL 37 Cb -0.23 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.39 1s5a s VAL 37 CO 0.51 0.56 -0.13 0.12 0.00 0.00 0.00 175.10 176.16 1s5a s PHE 38 N 0.31 3.00 0.04 5.22 5.36 -0.22 -1.03 117.98 130.66 1s5a s PHE 38 Ca -0.18 -1.80 0.06 0.00 -0.96 0.00 0.00 56.93 54.06 1s5a s PHE 38 Cb -0.18 -1.96 -0.03 0.00 -0.34 0.00 0.00 43.02 40.51 1s5a s PHE 38 CO 0.09 -0.80 -0.16 -1.21 -1.46 0.00 0.00 175.22 171.68 1s5a s GLU 39 N 1.25 2.16 -0.58 10.12 2.02 0.65 -0.86 118.70 133.46 1s5a s GLU 39 Ca -0.00 -0.94 0.04 0.00 0.02 0.00 0.00 54.97 54.09 1s5a s GLU 39 Cb -0.16 -2.25 0.15 0.00 0.10 0.00 0.00 34.13 31.97 1s5a s GLU 39 CO -0.08 0.55 0.37 -0.06 0.02 0.00 0.00 175.26 176.06 1s5a s PHE 40 N -0.95 2.92 0.42 1.61 0.08 0.16 -0.05 117.98 122.17 1s5a s PHE 40 Ca 0.15 -3.03 0.19 0.00 0.12 0.00 0.00 56.93 54.37 1s5a s PHE 40 Cb -0.11 -2.39 1.13 0.00 -0.57 0.00 0.00 43.02 41.08 1s5a s PHE 40 CO 0.06 -0.67 1.83 -1.35 -0.10 0.00 0.00 175.22 174.99 1s5a h PRO 41 N 5.93 0.36 -0.32 0.24 0.11 -1.81 -2.59 132.00 133.92 1s5a h PRO 41 Ca 0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1s5a h PRO 41 Cb 0.83 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1s5a h PRO 41 CO 0.63 0.24 0.00 0.66 -0.21 0.00 0.00 178.00 179.32 1s5a n TYR 42 N -4.52 0.95 -1.89 0.65 4.01 -1.26 -5.02 117.16 110.08 1s5a n TYR 42 Ca 0.21 -0.78 -0.40 0.00 -0.16 0.00 0.00 57.90 56.78 1s5a n TYR 42 Cb 0.79 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 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 -2.40 3.38 0.81 -0.72 0.00 -0.98 -4.57 121.76 117.27 1s5a s ALA 43 Ca 0.40 1.43 -0.11 0.00 0.00 0.00 0.00 51.96 53.67 1s5a s ALA 43 Cb 0.30 -3.56 0.08 0.00 0.00 0.00 0.00 23.12 19.94 1s5a s ALA 43 CO 0.12 -1.01 1.09 -2.14 0.00 0.00 0.00 175.76 173.82 1s5a s PRO 44 N -2.22 1.99 0.56 0.00 0.02 -1.26 -4.91 135.00 129.18 1s5a s PRO 44 Ca 0.56 1.02 -0.21 0.00 0.02 0.00 0.00 61.00 62.38 1s5a s PRO 44 Cb -0.43 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.17 1s5a s PRO 44 CO 0.56 -1.79 1.36 0.39 -0.33 0.00 0.00 177.00 177.20 1s5a n GLU 45 N -3.60 1.64 -0.16 5.54 -0.58 -1.26 -1.46 120.64 120.76 1s5a n GLU 45 Ca 0.08 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.43 1s5a n GLU 45 Cb 0.54 -2.58 0.00 0.00 -0.57 0.00 0.00 31.44 28.83 1s5a n GLU 45 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s5a n GLY 46 N 0.77 2.13 3.78 0.62 0.00 -1.26 -5.01 105.19 106.22 1s5a n GLY 46 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.50 5.54 0.28 1.61 0.01 -0.53 -5.07 113.70 112.04 1s5a s SER 47 Ca 0.00 -0.03 -0.30 0.00 1.31 0.00 0.00 55.95 56.93 1s5a s SER 47 Cb 0.00 -1.48 -0.12 0.00 0.21 0.00 0.00 66.02 64.62 1s5a s SER 47 CO 0.00 0.15 1.48 -2.65 0.41 0.00 0.00 173.24 172.63 1s5a n PRO 48 N 0.28 2.36 -0.05 12.44 -0.02 -1.26 -4.82 135.00 143.93 1s5a n PRO 48 Ca -0.08 0.84 -0.01 0.00 -2.02 0.00 0.00 63.50 62.22 1s5a n PRO 48 Cb 0.52 -2.54 -0.11 0.00 -0.02 0.00 0.00 33.50 31.34 1s5a n PRO 48 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1s5a n LYS 49 N 1.83 1.21 -3.69 -0.52 4.76 -1.26 -4.70 118.16 115.78 1s5a n LYS 49 Ca 0.09 -0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.34 1s5a n LYS 49 Cb 0.35 -1.36 -0.09 0.00 -1.84 0.00 0.00 35.03 32.08 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 -2.62 0.61 0.01 1.97 3.52 -1.26 -0.66 118.95 120.52 1s5a s ARG 50 Ca -0.06 0.78 0.03 0.00 -0.13 0.00 0.00 55.73 56.34 1s5a s ARG 50 Cb 0.06 0.27 -0.01 0.00 -1.56 0.00 0.00 34.95 33.71 1s5a s ARG 50 CO 0.60 -0.09 -0.08 0.42 -0.81 0.00 0.00 175.30 175.34 1s5a s ILE 51 N 0.46 0.61 -0.02 4.11 1.01 -0.04 -5.00 121.20 122.34 1s5a s ILE 51 Ca -0.01 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1s5a s ILE 51 Cb -0.04 -0.57 -0.00 0.00 0.01 0.00 0.00 42.46 41.85 1s5a s ILE 51 CO -0.02 -0.02 -0.09 -1.61 0.00 0.00 0.00 174.94 173.21 1s5a s GLU 52 N -0.69 0.84 0.00 2.79 2.02 -1.26 -1.05 118.70 121.35 1s5a s GLU 52 Ca -0.01 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1s5a s GLU 52 Cb -0.05 -0.80 0.00 0.00 0.10 0.00 0.00 34.13 33.38 1s5a s GLU 52 CO 0.00 0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1s5a n GLY 53 N 3.06 1.17 0.30 -1.39 0.00 0.33 -4.42 105.19 104.24 1s5a n GLY 53 Ca -0.16 -1.51 0.05 0.00 0.00 0.00 0.00 46.02 44.40 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 0.65 -0.24 1.61 3.64 -1.31 -1.49 116.57 119.43 1s5a h LYS 54 Ca 0.00 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1s5a h LYS 54 Cb 0.00 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1s5a h LYS 54 CO 0.00 0.43 0.15 0.00 -2.27 0.00 0.00 179.45 177.76 1s5a h ALA 55 N 1.50 0.30 -0.40 5.00 0.00 -1.88 0.60 119.26 124.39 1s5a h ALA 55 Ca 0.42 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 1s5a h ALA 55 Cb 0.51 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1s5a h ALA 55 CO -0.31 -0.24 -0.08 0.00 0.00 0.00 0.00 179.25 178.62 1s5a h ALA 56 N 1.10 1.11 -0.46 0.00 0.00 -1.67 -1.28 119.26 118.07 1s5a h ALA 56 Ca 0.09 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1s5a h ALA 56 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1s5a h ALA 56 CO -0.04 0.56 -0.02 0.82 0.00 0.00 0.00 179.25 180.57 1s5a h ILE 57 N 0.64 1.26 -0.40 0.00 2.04 -0.87 -0.97 117.51 119.21 1s5a h ILE 57 Ca 0.12 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1s5a h ILE 57 Cb 0.51 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1s5a h ILE 57 CO 0.03 0.38 0.21 0.22 0.00 0.00 0.00 178.15 178.98 1s5a h TYR 58 N 0.68 0.57 -0.65 1.37 3.20 -0.63 -0.77 116.97 120.73 1s5a h TYR 58 Ca 0.13 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 1s5a h TYR 58 Cb 0.54 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1s5a h TYR 58 CO 0.04 0.45 0.30 -0.44 -1.64 0.00 0.00 178.16 176.87 1s5a h ASP 59 N 0.51 0.84 -0.40 -2.11 3.32 -1.06 0.22 116.42 117.74 1s5a h ASP 59 Ca 0.14 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 1s5a h ASP 59 Cb 0.09 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1s5a h ASP 59 CO -0.02 0.72 -0.26 0.22 -1.72 0.00 0.00 179.24 178.18 1s5a h TYR 60 N 0.92 1.04 0.00 4.55 3.20 -0.84 -3.35 116.97 122.50 1s5a h TYR 60 Ca 0.23 -0.28 -0.08 0.00 3.14 0.00 0.00 58.73 61.74 1s5a h TYR 60 Cb 0.12 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1s5a h TYR 60 CO 0.01 1.08 -1.57 1.51 -1.64 0.00 0.00 178.16 177.55 1s5a n ILE 61 N -4.16 0.64 -0.35 1.81 0.13 -0.32 -4.61 119.36 112.49 1s5a n ILE 61 Ca -0.02 -0.60 0.24 0.00 -1.10 0.00 0.00 62.75 61.28 1s5a n ILE 61 Cb 0.47 -0.34 0.48 0.00 -0.84 0.00 0.00 39.64 39.42 1s5a n ILE 61 CO 0.00 0.00 0.00 0.07 2.80 0.00 0.00 176.55 179.42 1s5a h LYS 62 N 0.00 0.34 -0.58 9.51 2.10 -0.70 -0.60 116.57 126.62 1s5a h LYS 62 Ca -0.10 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1s5a h LYS 62 Cb 1.27 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1s5a h LYS 62 CO 0.01 0.22 0.00 -0.25 -2.00 0.00 0.00 179.45 177.44 1s5a n ASP 63 N -4.94 3.41 -0.23 7.07 8.00 -1.26 -4.48 116.55 124.12 1s5a n ASP 63 Ca 0.31 -1.99 -0.01 0.00 0.71 0.00 0.00 54.79 53.82 1s5a n ASP 63 Cb 0.99 -0.39 0.11 0.00 -0.02 0.00 0.00 41.12 41.81 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 3.87 0.62 -0.03 1.24 3.20 -1.39 -1.26 116.97 123.22 1s5a h TYR 64 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1s5a h TYR 64 Cb 0.88 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 1s5a h TYR 64 CO 0.39 0.26 0.03 -1.35 -1.64 0.00 0.00 178.16 175.85 1s5a h PRO 65 N 0.61 0.00 -0.00 1.82 0.11 -1.79 0.27 132.00 133.03 1s5a h PRO 65 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1s5a h PRO 65 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1s5a h PRO 65 CO -0.22 0.00 -0.06 1.63 -0.21 0.00 0.00 178.00 179.14 1s5a n LYS 66 N -3.94 0.25 -0.09 1.05 5.02 -0.48 -3.98 118.16 115.99 1s5a n LYS 66 Ca -0.02 -0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 1s5a n LYS 66 Cb 0.12 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.34 0.45 -4.44 1.97 6.02 0.74 -4.77 117.38 116.00 1s5a n GLN 67 Ca 0.11 0.11 -0.21 0.00 -0.01 0.00 0.00 57.00 57.00 1s5a n GLN 67 Cb 0.30 -1.35 -0.16 0.00 1.02 0.00 0.00 30.24 30.05 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 -2.36 0.86 -0.30 5.09 -1.09 0.11 -1.86 121.20 121.64 1s5a s ILE 68 Ca -0.25 -0.40 -0.10 0.00 -2.23 0.00 0.00 60.65 57.68 1s5a s ILE 68 Cb 0.07 -0.76 -0.01 0.00 -1.58 0.00 0.00 42.46 40.17 1s5a s ILE 68 CO 0.41 0.27 0.15 -2.28 -1.23 0.00 0.00 174.94 172.26 1s5a s HIS 69 N 0.19 3.17 -0.06 3.97 5.65 -0.00 -4.28 115.29 123.92 1s5a s HIS 69 Ca -0.03 -0.50 -0.19 0.00 0.25 0.00 0.00 55.06 54.58 1s5a s HIS 69 Cb -0.09 -2.35 -0.05 0.00 -1.18 0.00 0.00 32.58 28.92 1s5a s HIS 69 CO 0.01 -0.42 0.52 -0.51 -0.65 0.00 0.00 174.74 173.68 1s5a s LEU 70 N 1.62 4.35 -0.10 8.88 1.43 -1.26 -0.95 118.68 132.65 1s5a s LEU 70 Ca 0.05 0.96 0.08 0.00 -1.03 0.00 0.00 54.13 54.19 1s5a s LEU 70 Cb -0.17 -2.77 -0.12 0.00 0.03 0.00 0.00 46.19 43.16 1s5a s LEU 70 CO 0.06 0.07 0.01 -1.20 0.23 0.00 0.00 176.35 175.52 1s5a n SER 71 N 3.15 2.60 -3.65 2.29 7.64 0.49 -4.83 113.62 121.31 1s5a n SER 71 Ca -0.08 -0.01 -0.09 0.00 1.01 0.00 0.00 58.87 59.70 1s5a n SER 71 Cb 0.51 0.59 -0.02 0.00 -1.01 0.00 0.00 64.21 64.28 1s5a n SER 71 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1s5a s SER 72 N -4.41 -0.39 0.04 6.43 1.04 -0.77 -5.00 113.70 110.64 1s5a s SER 72 Ca -0.07 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.07 1s5a s SER 72 Cb 0.03 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 1s5a s SER 72 CO 0.39 -1.14 -0.09 -0.36 0.98 0.00 0.00 173.24 173.02 1s5a s PHE 73 N -3.79 0.76 0.67 5.02 0.08 -1.26 -0.80 117.98 118.66 1s5a s PHE 73 Ca 0.07 -0.45 -0.06 0.00 0.12 0.00 0.00 56.93 56.61 1s5a s PHE 73 Cb -0.03 -0.45 0.05 0.00 -0.57 0.00 0.00 43.02 42.01 1s5a s PHE 73 CO -0.02 -0.05 0.97 0.95 -0.10 0.00 0.00 175.22 176.97 1s5a s THR 74 N -1.22 2.63 0.03 0.64 -4.23 -0.04 -4.98 115.64 108.49 1s5a s THR 74 Ca -0.07 -0.22 -0.30 0.00 -1.18 0.00 0.00 61.69 59.91 1s5a s THR 74 Cb -0.09 -3.11 -0.08 0.00 1.34 0.00 0.00 72.50 70.56 1s5a s THR 74 CO 0.01 -0.12 1.79 0.00 -0.54 0.00 0.00 174.62 175.76 1s5a s ALA 75 N -3.16 3.64 0.35 3.99 0.00 -1.26 -4.62 121.76 120.71 1s5a s ALA 75 Ca 0.58 1.21 -0.27 0.00 0.00 0.00 0.00 51.96 53.49 1s5a s ALA 75 Cb -0.11 -3.77 -0.09 0.00 0.00 0.00 0.00 23.12 19.15 1s5a s ALA 75 CO 0.44 -1.36 1.11 -1.25 0.00 0.00 0.00 175.76 174.71 1s5a s PRO 76 N 3.63 4.33 -0.18 0.00 0.04 -1.26 -4.83 135.00 136.73 1s5a s PRO 76 Ca 0.80 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 63.42 1s5a s PRO 76 Cb -0.40 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1s5a s PRO 76 CO 0.35 -0.05 0.37 0.99 0.04 0.00 0.00 177.00 178.70 1s5a s THR 77 N -1.38 5.24 -0.17 1.26 2.01 0.00 -4.92 115.64 117.68 1s5a s THR 77 Ca 0.52 0.67 -0.00 0.00 0.31 0.00 0.00 61.69 63.19 1s5a s THR 77 Cb -0.29 -3.70 0.04 0.00 0.01 0.00 0.00 72.50 68.56 1s5a s THR 77 CO 0.37 0.31 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.84 1s5a s VAL 78 N 0.95 1.22 -0.10 3.82 1.01 -1.26 -1.02 120.40 125.02 1s5a s VAL 78 Ca 0.19 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 1s5a s VAL 78 Cb -0.14 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1s5a s VAL 78 CO 0.07 0.18 0.11 -0.31 0.00 0.00 0.00 175.10 175.15 1s5a s TYR 79 N 1.59 3.50 -0.01 5.22 2.02 0.35 -4.94 117.35 125.08 1s5a s TYR 79 Ca 0.01 0.44 0.08 0.00 -0.37 0.00 0.00 57.07 57.23 1s5a s TYR 79 Cb -0.15 -1.89 -0.02 0.00 -0.40 0.00 0.00 41.96 39.49 1s5a s TYR 79 CO -0.08 0.67 -0.26 -0.98 -1.57 0.00 0.00 175.55 173.33 1s5a s ARG 80 N -1.09 2.04 0.34 -0.62 1.70 -1.26 -0.48 118.95 119.58 1s5a s ARG 80 Ca 0.16 -0.97 -0.29 0.00 -0.47 0.00 0.00 55.73 54.16 1s5a s ARG 80 Cb -0.12 -2.02 -0.11 0.00 -0.57 0.00 0.00 34.95 32.13 1s5a s ARG 80 CO 0.05 0.55 1.42 0.45 -1.08 0.00 0.00 175.30 176.69 1s5a s SER 81 N -0.75 6.53 0.56 -2.89 0.15 -0.23 -4.92 113.70 112.16 1s5a s SER 81 Ca 0.10 2.88 0.34 0.00 0.70 0.00 0.00 55.95 59.97 1s5a s SER 81 Cb -0.10 -2.65 1.61 0.00 -1.71 0.00 0.00 66.02 63.17 1s5a s SER 81 CO -0.00 -0.74 2.09 0.00 1.20 0.00 0.00 173.24 175.79 1s5a h ALA 82 N 3.47 1.08 -0.01 5.45 0.00 -1.99 -3.33 119.26 123.92 1s5a h ALA 82 Ca -0.49 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.20 1s5a h ALA 82 Cb 1.23 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.73 1s5a h ALA 82 CO 0.67 0.07 -0.73 -0.40 0.00 0.00 0.00 179.25 178.86 1s5a n ASP 83 N -3.27 0.18 -3.60 0.00 5.75 -1.26 -5.07 116.55 109.28 1s5a n ASP 83 Ca -0.01 -2.01 -0.13 0.00 -0.01 0.00 0.00 54.79 52.63 1s5a n ASP 83 Cb 0.24 -0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.23 1s5a n ASP 83 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1s5a s SER 84 N -1.65 0.60 -0.69 -1.12 1.04 -1.25 -5.05 113.70 105.58 1s5a s SER 84 Ca 0.20 -1.36 -0.01 0.00 0.48 0.00 0.00 55.95 55.26 1s5a s SER 84 Cb 0.24 0.59 0.41 0.00 0.10 0.00 0.00 66.02 67.35 1s5a s SER 84 CO -0.10 -1.16 1.91 0.59 0.98 0.00 0.00 173.24 175.46 1s5a n ASN 85 N -0.98 7.23 -4.50 7.02 3.02 -1.26 -4.50 115.26 121.29 1s5a n ASN 85 Ca 0.01 -3.80 -0.33 0.00 -0.03 0.00 0.00 54.58 50.42 1s5a n ASN 85 Cb 0.62 -0.93 -0.12 0.00 -0.61 0.00 0.00 39.78 38.74 1s5a n ASN 85 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1s5a s THR 86 N -4.96 3.49 0.19 3.41 2.01 -1.26 -2.08 115.64 116.44 1s5a s THR 86 Ca 0.58 -0.54 0.08 0.00 0.31 0.00 0.00 61.69 62.12 1s5a s THR 86 Cb 0.47 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1s5a s THR 86 CO -0.18 0.56 -0.16 0.68 -0.69 0.00 0.00 174.62 174.84 1s5a s VAL 87 N -0.33 1.75 -0.09 3.82 -7.23 0.15 -1.07 120.40 117.39 1s5a s VAL 87 Ca 0.04 -2.10 0.02 0.00 -1.81 0.00 0.00 61.98 58.13 1s5a s VAL 87 Cb -0.13 -1.96 0.01 0.00 0.56 0.00 0.00 36.38 34.87 1s5a s VAL 87 CO 0.02 -0.50 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.54 1s5a s ILE 88 N -2.66 1.34 -0.03 -0.62 1.09 0.37 -0.24 121.20 120.46 1s5a s ILE 88 Ca 0.20 -0.56 0.05 0.00 -1.10 0.00 0.00 60.65 59.24 1s5a s ILE 88 Cb -0.02 -1.24 -0.01 0.00 -1.06 0.00 0.00 42.46 40.13 1s5a s ILE 88 CO 0.07 0.41 -0.18 0.00 -0.10 0.00 0.00 174.94 175.13 1s5a s ALA 89 N 0.94 1.56 -0.09 9.38 0.00 -0.31 -0.49 121.76 132.75 1s5a s ALA 89 Ca -0.08 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.15 1s5a s ALA 89 Cb -0.15 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.52 1s5a s ALA 89 CO -0.00 0.34 -0.24 -1.21 0.00 0.00 0.00 175.76 174.65 1s5a s GLU 90 N -0.24 2.88 0.13 0.00 2.02 -0.19 -0.73 118.70 122.57 1s5a s GLU 90 Ca 0.02 -0.88 -0.25 0.00 0.02 0.00 0.00 54.97 53.89 1s5a s GLU 90 Cb -0.09 -2.26 0.07 0.00 0.10 0.00 0.00 34.13 31.95 1s5a s GLU 90 CO 0.01 0.26 0.78 -0.59 0.02 0.00 0.00 175.26 175.73 1s5a s PHE 91 N 0.15 -0.34 0.11 1.61 -0.12 -0.61 -0.82 117.98 117.96 1s5a s PHE 91 Ca -0.13 0.09 0.06 0.00 -0.05 0.00 0.00 56.93 56.90 1s5a s PHE 91 Cb -0.16 0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 1s5a s PHE 91 CO 0.07 -0.82 -0.14 -0.65 -0.05 0.00 0.00 175.22 173.62 1s5a s GLN 92 N -3.50 0.97 0.26 1.99 -0.21 -1.26 -0.38 119.66 117.52 1s5a s GLN 92 Ca 0.06 -1.15 0.12 0.00 0.02 0.00 0.00 55.36 54.41 1s5a s GLN 92 Cb -0.02 -0.91 -0.05 0.00 1.00 0.00 0.00 33.01 33.03 1s5a s GLN 92 CO -0.05 0.19 -0.19 0.00 -2.12 0.00 0.00 175.29 173.12 1s5a s ASP 94 N -3.31 0.96 0.00 0.00 2.15 0.02 -2.59 116.67 113.90 1s5a s ASP 94 Ca 0.28 -0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.12 1s5a s ASP 94 Cb -0.06 -0.35 0.00 0.00 -0.30 0.00 0.00 42.92 42.21 1s5a s ASP 94 CO 0.14 0.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.76 1s5a n GLY 95 N 3.63 2.13 3.28 2.66 0.00 0.01 -0.38 105.19 116.53 1s5a n GLY 95 Ca -0.21 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.96 -0.15 -0.01 1.61 -3.43 -0.12 -0.99 115.29 111.24 1s5a s HIS 96 Ca 0.00 -0.06 -0.30 0.00 -0.80 0.00 0.00 55.06 53.90 1s5a s HIS 96 Cb 0.00 0.16 -0.03 0.00 -1.43 0.00 0.00 32.58 31.28 1s5a s HIS 96 CO 0.00 -0.59 1.02 0.08 -2.00 0.00 0.00 174.74 173.25 1s5a s VAL 97 N -3.10 4.71 0.15 -5.38 1.01 0.47 -0.82 120.40 117.45 1s5a s VAL 97 Ca -0.01 1.95 -0.15 0.00 0.00 0.00 0.00 61.98 63.77 1s5a s VAL 97 Cb 0.01 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.16 1s5a s VAL 97 CO -0.07 0.12 1.76 0.40 0.00 0.00 0.00 175.10 177.31 1s5a h ILE 98 N 4.82 1.16 -0.49 2.22 1.08 -1.67 0.85 117.51 125.47 1s5a h ILE 98 Ca -0.39 -0.40 -0.00 0.00 -0.39 0.00 0.00 64.86 63.68 1s5a h ILE 98 Cb 1.20 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.55 1s5a h ILE 98 CO 0.78 0.16 0.29 -0.08 -0.69 0.00 0.00 178.15 178.62 1s5a h GLU 99 N 0.58 0.67 0.00 2.37 4.81 -1.87 -3.31 114.58 117.83 1s5a h GLU 99 Ca 0.16 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1s5a h GLU 99 Cb 0.04 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1s5a h GLU 99 CO -0.03 0.50 -1.43 0.25 -0.73 0.00 0.00 179.01 177.57 1s5a n THR 100 N -4.69 0.00 -0.96 0.32 -2.24 -1.21 -4.99 114.28 100.51 1s5a n THR 100 Ca 0.02 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1s5a n THR 100 Cb 0.06 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 1.57 0.95 3.79 3.38 0.00 0.29 -5.00 105.19 110.17 1s5a n GLY 101 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 3.79 0.43 0.99 1.43 -1.24 -4.55 118.68 119.53 1s5a s LEU 102 Ca 0.00 1.98 -0.24 0.00 -1.03 0.00 0.00 54.13 54.84 1s5a s LEU 102 Cb 0.00 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.56 1s5a s LEU 102 CO 0.00 -0.93 1.04 -2.65 0.23 0.00 0.00 176.35 174.04 1s5a n PRO 103 N -1.15 1.40 -3.82 1.29 -0.02 -1.26 -0.39 135.00 131.04 1s5a n PRO 103 Ca 0.10 0.50 -0.26 0.00 -2.02 0.00 0.00 63.50 61.82 1s5a n PRO 103 Cb 0.52 -2.10 -0.17 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.28 1.18 -0.19 6.00 5.04 -0.17 -4.65 117.35 123.29 1s5a s TYR 104 Ca 0.64 -0.66 -0.01 0.00 -2.44 0.00 0.00 57.07 54.60 1s5a s TYR 104 Cb -0.54 -1.07 0.05 0.00 0.35 0.00 0.00 41.96 40.75 1s5a s TYR 104 CO 0.56 -0.50 -0.01 1.03 -1.34 0.00 0.00 175.55 175.29 1s5a s ARG 105 N 1.81 1.13 0.10 4.97 0.52 -1.26 -0.81 118.95 125.41 1s5a s ARG 105 Ca 0.03 -0.58 0.09 0.00 -0.52 0.00 0.00 55.73 54.75 1s5a s ARG 105 Cb -0.14 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.13 1s5a s ARG 105 CO -0.07 -0.56 -0.19 -1.14 0.02 0.00 0.00 175.30 173.36 1s5a s GLN 106 N 1.68 1.80 -0.13 3.54 2.00 -1.07 -4.98 119.66 122.51 1s5a s GLN 106 Ca -0.02 -1.15 0.03 0.00 -2.00 0.00 0.00 55.36 52.22 1s5a s GLN 106 Cb -0.17 -2.10 0.01 0.00 0.80 0.00 0.00 33.01 31.55 1s5a s GLN 106 CO -0.07 0.49 -0.22 -1.12 -0.50 0.00 0.00 175.29 173.87 1s5a s SER 107 N -1.95 3.15 0.03 6.67 0.01 -1.26 -1.17 113.70 119.18 1s5a s SER 107 Ca 0.17 -0.58 0.08 0.00 1.31 0.00 0.00 55.95 56.93 1s5a s SER 107 Cb -0.10 -1.44 -0.03 0.00 0.21 0.00 0.00 66.02 64.65 1s5a s SER 107 CO 0.08 0.11 -0.24 -0.31 0.41 0.00 0.00 173.24 173.29 1s5a s TYR 108 N 0.66 2.38 -0.07 2.43 2.02 0.49 -3.77 117.35 121.48 1s5a s TYR 108 Ca -0.11 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.21 1s5a s TYR 108 Cb -0.16 -1.43 0.03 0.00 -0.40 0.00 0.00 41.96 39.99 1s5a s TYR 108 CO 0.02 0.12 -0.02 -1.50 -1.57 0.00 0.00 175.55 172.61 1s5a s ILE 109 N -0.79 0.49 -0.02 2.71 2.07 -1.02 -1.57 121.20 123.06 1s5a s ILE 109 Ca 0.12 0.03 0.07 0.00 -1.41 0.00 0.00 60.65 59.46 1s5a s ILE 109 Cb -0.10 -0.61 -0.02 0.00 0.13 0.00 0.00 42.46 41.86 1s5a s ILE 109 CO 0.02 0.27 -0.24 -0.44 -1.91 0.00 0.00 174.94 172.64 1s5a s SER 110 N 1.78 2.87 -0.35 4.50 0.01 0.09 -1.93 113.70 120.67 1s5a s SER 110 Ca 0.03 -0.44 -0.08 0.00 1.31 0.00 0.00 55.95 56.76 1s5a s SER 110 Cb -0.13 -0.35 0.04 0.00 0.21 0.00 0.00 66.02 65.79 1s5a s SER 110 CO -0.05 0.30 0.14 -0.69 0.41 0.00 0.00 173.24 173.34 1s5a s VAL 111 N -0.54 4.05 -0.09 3.43 1.01 -0.47 -1.17 120.40 126.62 1s5a s VAL 111 Ca 0.08 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1s5a s VAL 111 Cb -0.10 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 1s5a s VAL 111 CO -0.01 -0.20 -0.24 -0.63 0.00 0.00 0.00 175.10 174.03 1s5a s ILE 112 N 1.45 2.01 -0.10 2.22 1.01 0.67 -1.15 121.20 127.31 1s5a s ILE 112 Ca -0.00 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.66 1s5a s ILE 112 Cb -0.19 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 1s5a s ILE 112 CO 0.04 0.55 -0.12 -0.70 0.00 0.00 0.00 174.94 174.71 1s5a s GLU 113 N 0.27 3.02 0.15 2.79 2.12 -0.01 0.31 118.70 127.36 1s5a s GLU 113 Ca -0.16 -0.65 0.06 0.00 0.36 0.00 0.00 54.97 54.57 1s5a s GLU 113 Cb -0.17 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 1s5a s GLU 113 CO 0.08 0.42 -0.13 0.95 -0.54 0.00 0.00 175.26 176.04 1s5a s THR 114 N -0.18 1.36 -0.12 -1.70 -4.23 -0.88 -0.93 115.64 108.95 1s5a s THR 114 Ca 0.01 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1s5a s THR 114 Cb -0.13 -1.74 0.04 0.00 1.34 0.00 0.00 72.50 72.01 1s5a s THR 114 CO 0.03 -0.57 0.05 -0.60 -0.54 0.00 0.00 174.62 173.00 1s5a s ARG 115 N -3.24 0.24 -1.43 3.99 3.00 -0.09 -4.79 118.95 116.64 1s5a s ARG 115 Ca 0.14 0.03 -0.07 0.00 -1.00 0.00 0.00 55.73 54.83 1s5a s ARG 115 Cb -0.01 -1.32 0.04 0.00 0.00 0.00 0.00 34.95 33.65 1s5a s ARG 115 CO 0.03 -0.49 0.60 -3.47 0.00 0.00 0.00 175.30 171.97 1s5a n ASP 116 N 5.22 -5.00 0.00 -2.12 2.03 -1.26 -1.39 116.55 114.02 1s5a n ASP 116 Ca -0.06 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 54.88 1s5a n ASP 116 Cb 0.49 -4.06 0.00 0.00 -0.72 0.00 0.00 41.12 36.83 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 -1.40 3.11 3.76 0.27 0.00 -1.26 -5.01 105.19 104.66 1s5a n GLY 117 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.29 4.71 -0.25 1.61 0.52 -0.49 -4.77 118.95 119.99 1s5a s ARG 118 Ca 0.00 1.62 -0.28 0.00 -0.52 0.00 0.00 55.73 56.55 1s5a s ARG 118 Cb 0.00 -3.17 0.01 0.00 0.52 0.00 0.00 34.95 32.31 1s5a s ARG 118 CO 0.00 0.33 1.00 0.42 0.02 0.00 0.00 175.30 177.07 1s5a s ILE 119 N -1.22 4.69 -0.14 1.52 1.01 -0.32 -0.91 121.20 125.82 1s5a s ILE 119 Ca 0.44 1.89 0.18 0.00 0.00 0.00 0.00 60.65 63.16 1s5a s ILE 119 Cb -0.28 -4.29 -0.25 0.00 0.01 0.00 0.00 42.46 37.65 1s5a s ILE 119 CO 0.35 -0.20 0.17 1.33 0.00 0.00 0.00 174.94 176.59 1s5a n VAL 120 N 5.39 0.93 -3.74 2.92 0.24 -0.11 -1.06 118.33 122.89 1s5a n VAL 120 Ca 0.11 -0.71 -0.12 0.00 -2.04 0.00 0.00 64.34 61.58 1s5a n VAL 120 Cb 0.46 -0.35 -0.11 0.00 -1.47 0.00 0.00 33.84 32.37 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 -2.72 0.35 -0.19 7.34 3.52 -1.14 -1.87 118.95 124.25 1s5a s ARG 121 Ca -0.09 0.53 -0.04 0.00 -0.13 0.00 0.00 55.73 56.00 1s5a s ARG 121 Cb 0.08 0.10 0.08 0.00 -1.56 0.00 0.00 34.95 33.64 1s5a s ARG 121 CO 0.79 -0.09 0.18 -0.47 -0.81 0.00 0.00 175.30 174.90 1s5a s TYR 122 N 0.57 -0.13 -0.39 5.12 6.04 -0.20 -0.83 117.35 127.54 1s5a s TYR 122 Ca -0.03 0.07 -0.14 0.00 0.04 0.00 0.00 57.07 57.01 1s5a s TYR 122 Cb -0.05 -0.46 0.01 0.00 -1.04 0.00 0.00 41.96 40.43 1s5a s TYR 122 CO -0.03 -0.56 0.27 0.50 -1.54 0.00 0.00 175.55 174.18 1s5a s ARG 123 N 2.27 3.07 -0.66 4.97 3.52 -0.30 -0.25 118.95 131.56 1s5a s ARG 123 Ca 0.05 -0.94 -0.12 0.00 -0.13 0.00 0.00 55.73 54.59 1s5a s ARG 123 Cb -0.16 -3.89 0.17 0.00 -1.56 0.00 0.00 34.95 29.51 1s5a s ARG 123 CO -0.11 -0.67 0.58 0.34 -0.81 0.00 0.00 175.30 174.63 1s5a s ASP 124 N 1.67 6.21 -0.05 -2.12 2.15 0.93 -1.37 116.67 124.08 1s5a s ASP 124 Ca 0.05 -2.34 -0.22 0.00 0.43 0.00 0.00 52.55 50.46 1s5a s ASP 124 Cb -0.19 -2.12 -0.04 0.00 -0.30 0.00 0.00 42.92 40.27 1s5a s ASP 124 CO 0.09 -0.64 0.64 -0.31 -0.17 0.00 0.00 175.17 174.79 1s5a s TYR 125 N 0.71 3.60 0.16 -5.34 2.02 -0.81 -3.99 117.35 113.71 1s5a s TYR 125 Ca 0.12 1.19 -0.11 0.00 -0.37 0.00 0.00 57.07 57.90 1s5a s TYR 125 Cb -0.20 -2.71 0.00 0.00 -0.40 0.00 0.00 41.96 38.65 1s5a s TYR 125 CO -0.04 0.18 0.34 1.67 -1.57 0.00 0.00 175.55 176.13 1s5a s TRP 126 N 0.47 0.24 -0.42 2.71 1.48 -1.26 -2.44 118.94 119.71 1s5a s TRP 126 Ca 0.34 -0.60 -0.29 0.00 -1.06 0.00 0.00 56.10 54.49 1s5a s TRP 126 Cb -0.18 0.06 0.03 0.00 -1.16 0.00 0.00 33.47 32.22 1s5a s TRP 126 CO 0.17 -0.75 1.10 1.21 -4.06 0.00 0.00 176.95 174.62 1s5a s ASN 127 N -2.93 6.72 0.57 -2.66 3.84 -1.25 -4.76 114.94 114.47 1s5a s ASN 127 Ca 0.14 0.63 0.36 0.00 0.21 0.00 0.00 52.86 54.20 1s5a s ASN 127 Cb 0.02 -2.54 1.59 0.00 -0.55 0.00 0.00 41.25 39.78 1s5a s ASN 127 CO -0.02 -1.12 2.06 1.55 -2.79 0.00 0.00 177.10 176.79 1s5a h PRO 128 N 8.85 0.00 0.00 0.43 0.13 -1.98 -2.56 132.00 136.86 1s5a h PRO 128 Ca -0.22 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.74 1s5a h PRO 128 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1s5a h PRO 128 CO 1.09 0.00 -0.80 -0.07 -0.23 0.00 0.00 178.00 177.99 1s5a h LEU 129 N 0.00 0.01 -0.57 1.56 3.38 -1.94 -1.67 115.31 116.08 1s5a h LEU 129 Ca 0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1s5a h LEU 129 Cb 0.40 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1s5a h LEU 129 CO 0.00 0.81 -0.07 0.58 0.09 0.00 0.00 178.44 179.85 1s5a h VAL 130 N 0.01 1.27 -0.08 1.22 2.07 -1.85 -1.52 116.25 117.37 1s5a h VAL 130 Ca -0.01 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 1s5a h VAL 130 Cb 1.42 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1s5a h VAL 130 CO 0.11 0.44 0.02 0.58 0.02 0.00 0.00 177.57 178.74 1s5a h VAL 131 N 0.95 1.19 -0.30 2.57 2.07 -1.44 -2.37 116.25 118.92 1s5a h VAL 131 Ca 0.15 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1s5a h VAL 131 Cb 0.65 1.43 -0.08 0.00 -1.52 0.00 0.00 31.29 31.76 1s5a h VAL 131 CO 0.04 0.16 -0.37 0.11 0.02 0.00 0.00 177.57 177.54 1s5a h LYS 132 N -0.08 -0.33 -0.19 1.57 1.79 -1.09 -1.85 116.57 116.39 1s5a h LYS 132 Ca 0.02 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1s5a h LYS 132 Cb 0.24 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1s5a h LYS 132 CO 0.00 -0.22 0.10 0.93 -1.08 0.00 0.00 179.45 179.18 1s5a h GLU 133 N -0.34 0.25 0.12 3.15 5.08 -1.23 -2.26 114.58 119.34 1s5a h GLU 133 Ca 0.13 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.20 1s5a h GLU 133 Cb 0.57 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1s5a h GLU 133 CO -0.49 0.18 -1.22 0.00 -1.00 0.00 0.00 179.01 176.49 1s5a h ALA 134 N 1.86 0.12 -0.80 3.43 0.00 -0.87 -3.34 119.26 119.67 1s5a h ALA 134 Ca 0.07 -0.88 -0.57 0.00 0.00 0.00 0.00 54.91 53.53 1s5a h ALA 134 Cb 0.00 -0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.42 1s5a h ALA 134 CO -0.01 0.98 -0.27 1.19 0.00 0.00 0.00 179.25 181.14 1s5a n PHE 135 N -3.53 2.79 -0.32 0.00 0.99 -0.75 -4.98 117.46 111.66 1s5a n PHE 135 Ca -0.08 -2.43 0.00 0.00 -0.00 0.00 0.00 57.45 54.94 1s5a n PHE 135 Cb 1.01 -0.68 0.00 0.00 -1.00 0.00 0.00 39.48 38.81 1s5a n PHE 135 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17