#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5a h ASN -1 N 0.00 0.00 0.00 -3.46 -1.24 -2.04 -1.12 115.58 107.72 1s5a h ASN -1 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1s5a h ASN -1 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1s5a h ASN -1 CO 0.00 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 1s5a n ALA 0 N -2.57 1.87 -0.48 1.57 0.00 -1.26 -4.62 120.51 115.03 1s5a n ALA 0 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1s5a n ALA 0 Cb 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 0.11 0.00 0.00 0.00 4.77 -0.43 -4.64 117.00 116.81 1s5a n LEU 2 Ca 0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1s5a n LEU 2 Cb 0.12 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1s5a n LEU 2 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 172.86 1s5a n ASN 4 N -0.06 0.00 -0.07 -1.43 2.85 -1.26 0.01 115.26 115.30 1s5a n ASN 4 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 1s5a n ASN 4 Cb 0.03 0.00 0.18 0.00 1.24 0.00 0.00 39.78 41.23 1s5a n ASN 4 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1s5a h GLU 5 N 0.00 0.70 -0.40 1.20 4.57 -1.97 -2.71 114.58 115.98 1s5a h GLU 5 Ca 0.00 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 57.96 1s5a h GLU 5 Cb 0.00 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1s5a h GLU 5 CO 0.00 0.76 0.17 0.35 -1.18 0.00 0.00 179.01 179.12 1s5a h PHE 6 N 0.65 0.60 0.00 0.92 3.57 -0.81 -1.37 116.94 120.49 1s5a h PHE 6 Ca 0.12 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1s5a h PHE 6 Cb 0.50 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1s5a h PHE 6 CO 0.02 0.52 -0.31 0.93 -2.23 0.00 0.00 178.31 177.24 1s5a h GLU 7 N 0.51 0.00 -0.17 1.11 4.39 -1.78 -1.25 114.58 117.39 1s5a h GLU 7 Ca 0.14 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.68 1s5a h GLU 7 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1s5a h GLU 7 CO -0.01 0.31 -0.56 0.87 -1.16 0.00 0.00 179.01 178.46 1s5a h LYS 8 N 0.00 0.50 -0.33 2.33 1.57 -1.15 -1.90 116.57 117.59 1s5a h LYS 8 Ca -0.00 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1s5a h LYS 8 Cb 0.55 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1s5a h LYS 8 CO 0.04 0.93 0.14 0.00 -0.57 0.00 0.00 179.45 179.99 1s5a h ALA 9 N 1.01 0.43 -0.74 3.86 0.00 -0.58 0.09 119.26 123.32 1s5a h ALA 9 Ca 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1s5a h ALA 9 Cb 1.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1s5a h ALA 9 CO 0.10 0.01 0.36 0.00 0.00 0.00 0.00 179.25 179.72 1s5a h GLU 11 N 1.04 0.58 -0.60 0.00 4.81 -1.12 -0.17 114.58 119.12 1s5a h GLU 11 Ca 0.26 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1s5a h GLU 11 Cb 0.11 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1s5a h GLU 11 CO -0.03 0.58 0.25 1.15 -0.73 0.00 0.00 179.01 180.22 1s5a h THR 12 N 0.47 1.23 -0.39 0.32 2.02 -0.50 -1.75 112.91 114.30 1s5a h THR 12 Ca 0.13 -0.69 -0.09 0.00 0.77 0.00 0.00 66.41 66.52 1s5a h THR 12 Cb 0.22 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1s5a h THR 12 CO -0.01 0.27 -0.13 0.25 0.37 0.00 0.00 175.52 176.27 1s5a h LEU 13 N 0.83 0.68 -0.82 2.58 5.85 -0.39 0.14 115.31 124.18 1s5a h LEU 13 Ca 0.20 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1s5a h LEU 13 Cb 0.18 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1s5a h LEU 13 CO -0.02 0.84 0.15 -0.09 -0.34 0.00 0.00 178.44 178.98 1s5a h ARG 14 N 0.63 1.03 0.02 1.25 9.65 -0.69 -2.77 114.38 123.50 1s5a h ARG 14 Ca 0.11 -0.24 -0.22 0.00 -1.10 0.00 0.00 59.98 58.53 1s5a h ARG 14 Cb 0.59 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1s5a h ARG 14 CO 0.04 0.92 -0.96 0.87 2.80 0.00 0.00 179.97 183.64 1s5a h LYS 15 N 0.98 0.29 0.00 0.20 1.57 -1.08 -2.41 116.57 116.11 1s5a h LYS 15 Ca 0.21 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1s5a h LYS 15 Cb 0.36 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1s5a h LYS 15 CO 0.00 1.05 0.00 0.34 -0.57 0.00 0.00 179.45 180.27 1s5a n PHE 16 N -3.67 0.00 0.00 -1.35 7.35 0.46 -0.01 117.46 120.24 1s5a n PHE 16 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 1s5a n PHE 16 Cb 0.85 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.68 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 -0.00 0.00 0.00 3.13 0.00 -0.91 -4.78 120.51 117.94 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 0.98 -0.67 117.16 121.48 1s5a n TYR 19 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1s5a n TYR 19 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 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 1.44 0.00 0.00 7.72 4.77 -1.26 -0.97 117.00 128.70 1s5a n LEU 21 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1s5a n LEU 21 Cb 0.00 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.57 1s5a n LEU 21 CO 0.00 0.00 0.86 -0.62 -1.33 0.00 0.00 177.39 176.30 1s5a n GLU 22 N 0.00 0.01 -2.13 3.23 -0.58 0.15 -4.89 120.64 116.44 1s5a n GLU 22 Ca 0.00 0.12 -0.15 0.00 -0.42 0.00 0.00 57.16 56.71 1s5a n GLU 22 Cb 0.00 -1.51 -0.02 0.00 -0.57 0.00 0.00 31.44 29.34 1s5a n GLU 22 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1s5a n LYS 23 N -1.53 -1.14 -3.90 3.49 5.02 -0.15 -5.19 118.16 114.78 1s5a n LYS 23 Ca 0.05 0.76 -0.29 0.00 -2.02 0.00 0.00 58.31 56.81 1s5a n LYS 23 Cb 0.27 -5.04 -0.04 0.00 -0.02 0.00 0.00 35.03 30.21 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 -2.43 6.36 0.00 4.39 -1.08 -0.33 -4.98 116.67 118.60 1s5a s ASP 24 Ca 0.00 0.27 0.00 0.00 -0.52 0.00 0.00 52.55 52.30 1s5a s ASP 24 Cb 0.00 -1.96 0.00 0.00 -1.46 0.00 0.00 42.92 39.50 1s5a s ASP 24 CO 0.00 0.11 0.00 0.29 0.52 0.00 0.00 175.17 176.09 1s5a n LYS 26 N -0.06 0.00 -0.14 4.34 5.02 -1.26 -1.52 118.16 124.53 1s5a n LYS 26 Ca -0.05 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.17 1s5a n LYS 26 Cb 0.52 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.64 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 0.86 -0.24 4.39 0.02 -1.97 -2.50 113.55 114.10 1s5a h SER 27 Ca 0.00 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1s5a h SER 27 Cb 0.00 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1s5a h SER 27 CO 0.00 0.93 0.13 -0.25 -1.14 0.00 0.00 176.83 176.49 1s5a h TRP 28 N 0.82 0.34 -0.13 3.45 7.01 -1.63 -2.72 115.95 123.08 1s5a h TRP 28 Ca 0.15 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1s5a h TRP 28 Cb 0.51 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.45 1s5a h TRP 28 CO 0.03 0.30 0.05 1.15 -2.79 0.00 0.00 178.44 177.18 1s5a h THR 29 N 0.27 1.06 0.00 2.65 2.02 -1.78 -2.15 112.91 114.98 1s5a h THR 29 Ca 0.08 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1s5a h THR 29 Cb 0.08 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1s5a h THR 29 CO -0.01 0.07 0.00 -0.62 0.37 0.00 0.00 175.52 175.33 1s5a n GLU 30 N -4.48 0.08 0.00 6.66 -0.58 -0.96 -1.60 120.64 119.76 1s5a n GLU 30 Ca -0.01 0.35 0.14 0.00 -0.42 0.00 0.00 57.16 57.22 1s5a n GLU 30 Cb 0.11 -1.66 0.63 0.00 -0.57 0.00 0.00 31.44 29.96 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 -1.81 0.00 -4.90 -4.62 4.77 -0.81 -4.83 117.00 104.80 1s5a n LEU 31 Ca 0.02 0.42 -0.32 0.00 -0.03 0.00 0.00 56.01 56.11 1s5a n LEU 31 Cb 0.17 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1s5a n LEU 31 CO 0.15 -0.02 -0.06 0.26 -1.33 0.00 0.00 177.39 176.38 1s5a s TRP 32 N -2.85 3.52 0.60 -1.77 0.52 -0.63 -0.95 118.94 117.39 1s5a s TRP 32 Ca 0.18 0.45 -0.16 0.00 0.02 0.00 0.00 56.10 56.59 1s5a s TRP 32 Cb 0.18 -1.91 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 1s5a s TRP 32 CO 0.48 0.55 1.09 0.34 0.02 0.00 0.00 176.95 179.42 1s5a s ASP 33 N -2.23 5.54 0.38 2.95 2.15 -0.01 -4.76 116.67 120.69 1s5a s ASP 33 Ca 0.35 1.95 0.12 0.00 0.43 0.00 0.00 52.55 55.39 1s5a s ASP 33 Cb -0.13 -2.55 0.91 0.00 -0.30 0.00 0.00 42.92 40.85 1s5a s ASP 33 CO 0.23 -1.33 1.89 -0.08 -0.17 0.00 0.00 175.17 175.71 1s5a h GLU 34 N 0.46 0.57 -0.26 4.34 4.57 -1.97 -2.30 114.58 119.98 1s5a h GLU 34 Ca -0.47 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 57.58 1s5a h GLU 34 Cb 1.24 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.65 1s5a h GLU 34 CO 0.56 0.38 -0.06 0.09 -1.18 0.00 0.00 179.01 178.80 1s5a n ASN 35 N -4.53 2.91 -4.58 1.04 3.02 -1.26 -1.05 115.26 110.81 1s5a n ASN 35 Ca 0.16 -3.44 -0.32 0.00 -0.03 0.00 0.00 54.58 50.96 1s5a n ASN 35 Cb 0.49 -0.58 0.15 0.00 -0.61 0.00 0.00 39.78 39.24 1s5a n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s5a n ALA 36 N -0.95 -1.48 -3.38 5.41 0.00 -0.87 -4.44 120.51 114.81 1s5a n ALA 36 Ca 0.26 -0.59 -0.30 0.00 0.00 0.00 0.00 53.44 52.81 1s5a n ALA 36 Cb 0.92 -2.05 -0.17 0.00 0.00 0.00 0.00 19.45 18.15 1s5a n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1s5a s VAL 37 N -2.55 1.82 -0.23 0.00 1.01 -0.39 -1.21 120.40 118.85 1s5a s VAL 37 Ca 0.63 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1s5a s VAL 37 Cb -0.22 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1s5a s VAL 37 CO 0.61 0.51 -0.10 0.12 0.00 0.00 0.00 175.10 176.23 1s5a s PHE 38 N 0.54 2.99 0.04 5.22 5.36 -0.10 -0.89 117.98 131.15 1s5a s PHE 38 Ca -0.15 -1.60 0.08 0.00 -0.96 0.00 0.00 56.93 54.30 1s5a s PHE 38 Cb -0.17 -2.01 -0.03 0.00 -0.34 0.00 0.00 43.02 40.47 1s5a s PHE 38 CO 0.05 -0.75 -0.20 -1.21 -1.46 0.00 0.00 175.22 171.65 1s5a s GLU 39 N 1.31 2.02 -0.51 10.12 2.02 0.45 -0.23 118.70 133.87 1s5a s GLU 39 Ca 0.01 -1.00 0.03 0.00 0.02 0.00 0.00 54.97 54.03 1s5a s GLU 39 Cb -0.16 -2.14 0.14 0.00 0.10 0.00 0.00 34.13 32.08 1s5a s GLU 39 CO -0.07 0.54 0.30 -0.06 0.02 0.00 0.00 175.26 175.99 1s5a s PHE 40 N -0.88 2.61 0.44 1.61 0.40 -0.69 -0.33 117.98 121.14 1s5a s PHE 40 Ca 0.14 -2.84 0.22 0.00 -0.60 0.00 0.00 56.93 53.85 1s5a s PHE 40 Cb -0.10 -2.28 1.19 0.00 0.51 0.00 0.00 43.02 42.34 1s5a s PHE 40 CO 0.04 -0.73 1.82 -1.35 0.70 0.00 0.00 175.22 175.70 1s5a h PRO 41 N 6.32 0.30 -0.52 0.24 0.11 -1.82 -1.88 132.00 134.75 1s5a h PRO 41 Ca 0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1s5a h PRO 41 Cb 0.88 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1s5a h PRO 41 CO 0.59 0.20 0.00 0.66 -0.21 0.00 0.00 178.00 179.23 1s5a n TYR 42 N -4.49 1.42 -1.73 0.65 4.01 -1.26 -5.00 117.16 110.75 1s5a n TYR 42 Ca 0.22 -0.69 -0.42 0.00 -0.16 0.00 0.00 57.90 56.86 1s5a n TYR 42 Cb 0.86 -0.30 -0.02 0.00 -0.31 0.00 0.00 39.34 39.57 1s5a n TYR 42 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s5a n ALA 43 N 0.60 2.76 -1.30 -0.72 0.00 -0.71 -4.60 120.51 116.54 1s5a n ALA 43 Ca 0.24 0.39 -0.30 0.00 0.00 0.00 0.00 53.44 53.77 1s5a n ALA 43 Cb 0.92 -2.50 0.12 0.00 0.00 0.00 0.00 19.45 17.98 1s5a n ALA 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1s5a s PRO 44 N 0.47 1.63 0.34 0.00 0.04 -1.26 -4.90 135.00 131.32 1s5a s PRO 44 Ca 0.70 0.83 -0.28 0.00 0.04 0.00 0.00 61.00 62.30 1s5a s PRO 44 Cb -0.50 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.07 1s5a s PRO 44 CO 0.39 -1.98 1.20 0.39 0.04 0.00 0.00 177.00 177.04 1s5a n GLU 45 N -3.71 1.87 -0.36 4.56 1.02 -1.26 -1.60 120.64 121.16 1s5a n GLU 45 Ca 0.07 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 1s5a n GLU 45 Cb 0.55 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 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 0.91 1.74 3.74 0.62 0.00 -1.26 -5.02 105.19 105.91 1s5a n GLY 46 Ca 0.06 0.00 -0.30 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 -3.34 5.35 0.29 1.61 0.01 -0.63 -5.07 113.70 111.92 1s5a s SER 47 Ca 0.00 -0.07 -0.30 0.00 1.31 0.00 0.00 55.95 56.89 1s5a s SER 47 Cb 0.00 -1.38 -0.11 0.00 0.21 0.00 0.00 66.02 64.74 1s5a s SER 47 CO 0.00 0.17 1.52 -2.16 0.41 0.00 0.00 173.24 173.18 1s5a s PRO 48 N -2.38 4.18 0.00 12.44 0.04 -1.26 -4.80 135.00 143.21 1s5a s PRO 48 Ca 0.28 2.47 0.17 0.00 0.04 0.00 0.00 61.00 63.95 1s5a s PRO 48 Cb -0.12 -3.05 -0.14 0.00 0.04 0.00 0.00 34.50 31.23 1s5a s PRO 48 CO 0.21 -0.53 0.74 1.63 0.04 0.00 0.00 177.00 179.09 1s5a n LYS 49 N 2.03 1.59 -3.64 4.56 4.01 -1.26 -4.74 118.16 120.71 1s5a n LYS 49 Ca 0.07 -0.19 -0.12 0.00 -0.51 0.00 0.00 58.31 57.55 1s5a n LYS 49 Cb 0.39 -1.28 -0.07 0.00 -0.51 0.00 0.00 35.03 33.55 1s5a n LYS 49 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1s5a s ARG 50 N -2.43 0.80 -0.02 1.97 3.52 -1.26 -1.70 118.95 119.83 1s5a s ARG 50 Ca 0.08 1.04 0.04 0.00 -0.13 0.00 0.00 55.73 56.76 1s5a s ARG 50 Cb 0.13 0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 33.85 1s5a s ARG 50 CO 0.62 -0.11 -0.15 0.42 -0.81 0.00 0.00 175.30 175.27 1s5a s ILE 51 N 0.66 1.17 -0.05 4.11 1.01 0.68 -5.00 121.20 123.78 1s5a s ILE 51 Ca -0.02 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1s5a s ILE 51 Cb -0.05 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.45 1s5a s ILE 51 CO -0.04 0.34 -0.10 -0.70 0.00 0.00 0.00 174.94 174.44 1s5a s GLU 52 N -0.23 1.38 0.00 2.79 2.12 -1.26 -0.92 118.70 122.57 1s5a s GLU 52 Ca 0.03 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.04 1s5a s GLU 52 Cb -0.07 -1.19 0.00 0.00 0.26 0.00 0.00 34.13 33.13 1s5a s GLU 52 CO -0.00 0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 1s5a n GLY 53 N 3.76 0.74 0.37 -1.50 0.00 -0.35 -4.40 105.19 103.80 1s5a n GLY 53 Ca -0.23 -1.44 0.07 0.00 0.00 0.00 0.00 46.02 44.42 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 0.95 -0.33 1.61 3.64 -1.25 -0.83 116.57 120.36 1s5a h LYS 54 Ca 0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1s5a h LYS 54 Cb 0.00 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1s5a h LYS 54 CO 0.00 0.63 0.19 0.00 -2.27 0.00 0.00 179.45 178.00 1s5a h ALA 55 N 1.54 0.42 -0.09 5.00 0.00 -1.88 0.14 119.26 124.37 1s5a h ALA 55 Ca 0.47 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 1s5a h ALA 55 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1s5a h ALA 55 CO -0.23 -0.08 -0.44 0.00 0.00 0.00 0.00 179.25 178.50 1s5a h ALA 56 N 1.07 1.08 -0.37 0.00 0.00 -1.60 -2.28 119.26 117.17 1s5a h ALA 56 Ca 0.12 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1s5a h ALA 56 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1s5a h ALA 56 CO -0.02 0.61 -0.05 0.82 0.00 0.00 0.00 179.25 180.61 1s5a h ILE 57 N 0.18 1.27 -0.43 0.00 2.04 -0.77 -1.94 117.51 117.87 1s5a h ILE 57 Ca 0.01 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 1s5a h ILE 57 Cb 0.86 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1s5a h ILE 57 CO 0.07 0.36 0.19 0.22 0.00 0.00 0.00 178.15 178.98 1s5a h TYR 58 N 0.48 0.63 -0.77 1.37 3.20 -0.87 -1.56 116.97 119.45 1s5a h TYR 58 Ca 0.10 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.99 1s5a h TYR 58 Cb 0.53 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 1s5a h TYR 58 CO 0.04 0.54 0.51 0.22 -1.64 0.00 0.00 178.16 177.83 1s5a h ASP 59 N 0.55 0.73 -0.16 -2.11 3.58 -1.27 0.43 116.42 118.16 1s5a h ASP 59 Ca 0.14 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.43 1s5a h ASP 59 Cb 0.16 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.06 1s5a h ASP 59 CO -0.01 0.47 -0.57 0.22 -2.88 0.00 0.00 179.24 176.47 1s5a h TYR 60 N 0.83 0.89 0.00 0.28 3.20 -1.03 -3.35 116.97 117.78 1s5a h TYR 60 Ca 0.33 -0.37 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 1s5a h TYR 60 Cb 0.24 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1s5a h TYR 60 CO -0.00 1.16 -1.14 1.51 -1.64 0.00 0.00 178.16 178.05 1s5a n ILE 61 N -4.12 0.69 -0.22 1.81 0.13 -0.62 -4.53 119.36 112.52 1s5a n ILE 61 Ca -0.07 -0.57 0.27 0.00 -1.10 0.00 0.00 62.75 61.28 1s5a n ILE 61 Cb 0.63 -0.39 0.67 0.00 -0.84 0.00 0.00 39.64 39.72 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 0.10 -0.48 9.51 2.10 -0.31 -0.85 116.57 126.65 1s5a h LYS 62 Ca -0.03 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1s5a h LYS 62 Cb 1.11 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1s5a h LYS 62 CO 0.01 0.06 0.00 -0.25 -2.00 0.00 0.00 179.45 177.27 1s5a n ASP 63 N -4.33 4.09 -0.16 7.07 8.00 -1.26 -4.59 116.55 125.38 1s5a n ASP 63 Ca 0.20 -2.48 -0.07 0.00 0.71 0.00 0.00 54.79 53.15 1s5a n ASP 63 Cb 0.94 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 41.57 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 3.00 0.60 0.00 1.24 3.20 -1.42 -1.69 116.97 121.90 1s5a h TYR 64 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1s5a h TYR 64 Cb 1.27 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1s5a h TYR 64 CO 0.57 0.39 0.02 -1.35 -1.64 0.00 0.00 178.16 176.14 1s5a h PRO 65 N 0.63 0.00 -0.00 1.82 0.11 -1.80 0.99 132.00 133.75 1s5a h PRO 65 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1s5a h PRO 65 Cb -0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1s5a h PRO 65 CO -0.04 0.00 -0.23 1.63 -0.21 0.00 0.00 178.00 179.15 1s5a n LYS 66 N -2.98 0.17 -0.07 1.05 5.02 -0.64 -4.19 118.16 116.52 1s5a n LYS 66 Ca -0.03 -0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.09 1s5a n LYS 66 Cb 0.08 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.36 0.31 -4.64 1.97 6.02 0.20 -4.79 117.38 115.10 1s5a n GLN 67 Ca 0.08 0.09 -0.24 0.00 -0.01 0.00 0.00 57.00 56.92 1s5a n GLN 67 Cb 0.33 -1.17 -0.16 0.00 1.02 0.00 0.00 30.24 30.25 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 -2.26 1.17 -0.38 5.09 -1.09 -0.37 -1.18 121.20 122.19 1s5a s ILE 68 Ca -0.18 -0.54 -0.14 0.00 -2.23 0.00 0.00 60.65 57.56 1s5a s ILE 68 Cb 0.05 -1.04 0.01 0.00 -1.58 0.00 0.00 42.46 39.90 1s5a s ILE 68 CO 0.28 0.35 0.27 -2.28 -1.23 0.00 0.00 174.94 172.33 1s5a s HIS 69 N 0.36 3.23 -0.02 3.97 5.65 0.03 -4.28 115.29 124.23 1s5a s HIS 69 Ca -0.09 -0.46 -0.26 0.00 0.25 0.00 0.00 55.06 54.50 1s5a s HIS 69 Cb -0.13 -2.53 -0.04 0.00 -1.18 0.00 0.00 32.58 28.70 1s5a s HIS 69 CO 0.03 -0.50 0.82 -0.51 -0.65 0.00 0.00 174.74 173.93 1s5a s LEU 70 N 1.69 4.36 -0.20 8.88 1.43 -1.26 -1.05 118.68 132.53 1s5a s LEU 70 Ca 0.05 1.42 0.08 0.00 -1.03 0.00 0.00 54.13 54.65 1s5a s LEU 70 Cb -0.18 -3.30 -0.17 0.00 0.03 0.00 0.00 46.19 42.56 1s5a s LEU 70 CO 0.10 -0.15 -0.08 -1.20 0.23 0.00 0.00 176.35 175.25 1s5a n SER 71 N 3.66 1.62 -3.65 2.29 7.64 0.61 -4.85 113.62 120.93 1s5a n SER 71 Ca 0.01 -0.07 -0.07 0.00 1.01 0.00 0.00 58.87 59.76 1s5a n SER 71 Cb 0.51 0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.90 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 -5.69 -0.30 0.20 6.43 1.04 -0.98 -4.99 113.70 109.41 1s5a s SER 72 Ca -0.20 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 55.99 1s5a s SER 72 Cb 0.07 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.65 1s5a s SER 72 CO 0.59 -0.90 -0.01 -0.36 0.98 0.00 0.00 173.24 173.55 1s5a s PHE 73 N -3.40 1.40 0.26 5.02 0.08 -1.26 -0.91 117.98 119.17 1s5a s PHE 73 Ca 0.08 -0.96 -0.01 0.00 0.12 0.00 0.00 56.93 56.16 1s5a s PHE 73 Cb -0.02 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.59 1s5a s PHE 73 CO -0.02 -0.11 0.47 0.95 -0.10 0.00 0.00 175.22 176.41 1s5a s THR 74 N -3.52 5.13 0.08 0.64 -4.23 -0.38 -4.97 115.64 108.39 1s5a s THR 74 Ca 0.26 -0.28 -0.31 0.00 -1.18 0.00 0.00 61.69 60.18 1s5a s THR 74 Cb 0.06 -3.77 -0.08 0.00 1.34 0.00 0.00 72.50 70.05 1s5a s THR 74 CO 0.06 -0.31 1.58 0.00 -0.54 0.00 0.00 174.62 175.42 1s5a s ALA 75 N -2.03 3.68 0.60 3.99 0.00 -1.26 -4.59 121.76 122.14 1s5a s ALA 75 Ca 0.40 1.17 -0.17 0.00 0.00 0.00 0.00 51.96 53.37 1s5a s ALA 75 Cb -0.11 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 1s5a s ALA 75 CO 0.31 -0.99 1.10 -1.25 0.00 0.00 0.00 175.76 174.93 1s5a s PRO 76 N 2.26 3.15 -0.26 0.00 0.04 -1.26 -4.90 135.00 134.03 1s5a s PRO 76 Ca 0.71 1.40 -0.17 0.00 0.04 0.00 0.00 61.00 62.98 1s5a s PRO 76 Cb -0.39 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 1s5a s PRO 76 CO 0.31 -0.97 0.49 0.99 0.04 0.00 0.00 177.00 177.86 1s5a s THR 77 N -2.18 5.09 -0.16 1.26 2.01 -0.07 -4.92 115.64 116.66 1s5a s THR 77 Ca 0.68 0.82 -0.00 0.00 0.31 0.00 0.00 61.69 63.50 1s5a s THR 77 Cb -0.20 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 68.50 1s5a s THR 77 CO 0.35 0.10 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.55 1s5a s VAL 78 N 2.24 2.79 -0.18 3.82 1.01 -1.26 -1.16 120.40 127.66 1s5a s VAL 78 Ca 0.20 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 1s5a s VAL 78 Cb -0.16 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1s5a s VAL 78 CO 0.09 0.51 0.00 -0.31 0.00 0.00 0.00 175.10 175.39 1s5a s TYR 79 N 0.82 3.09 0.22 5.22 2.02 0.62 -4.97 117.35 124.37 1s5a s TYR 79 Ca -0.05 -0.24 0.04 0.00 -0.37 0.00 0.00 57.07 56.45 1s5a s TYR 79 Cb -0.15 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.35 1s5a s TYR 79 CO 0.00 -0.04 0.35 0.50 -1.57 0.00 0.00 175.55 174.79 1s5a s ARG 80 N 0.55 3.45 -0.19 -0.62 3.52 -1.26 -1.73 118.95 122.67 1s5a s ARG 80 Ca -0.01 -0.66 -0.02 0.00 -0.13 0.00 0.00 55.73 54.92 1s5a s ARG 80 Cb -0.14 -2.89 -0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1s5a s ARG 80 CO 0.02 0.44 -0.10 0.45 -0.81 0.00 0.00 175.30 175.29 1s5a s SER 81 N -3.72 3.90 0.35 -2.12 0.15 -1.23 -5.00 113.70 106.03 1s5a s SER 81 Ca 0.35 -0.45 0.09 0.00 0.70 0.00 0.00 55.95 56.63 1s5a s SER 81 Cb -0.10 -1.64 0.63 0.00 -1.71 0.00 0.00 66.02 63.21 1s5a s SER 81 CO 0.29 0.02 1.81 0.00 1.20 0.00 0.00 173.24 176.56 1s5a h ALA 82 N 7.79 1.31 -0.01 5.45 0.00 -1.99 -3.26 119.26 128.55 1s5a h ALA 82 Ca -0.39 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1s5a h ALA 82 Cb 1.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1s5a h ALA 82 CO 0.60 0.48 -0.56 -0.25 0.00 0.00 0.00 179.25 179.52 1s5a n ASP 83 N -4.13 1.55 -2.73 0.00 8.00 -1.26 -5.03 116.55 112.95 1s5a n ASP 83 Ca -0.01 -1.28 -0.15 0.00 0.71 0.00 0.00 54.79 54.06 1s5a n ASP 83 Cb 0.39 0.64 -0.06 0.00 -0.02 0.00 0.00 41.12 42.07 1s5a n ASP 83 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1s5a n SER 84 N -0.49 -0.37 -1.92 -2.24 3.41 -1.23 -5.05 113.62 105.73 1s5a n SER 84 Ca 0.07 -2.64 -0.07 0.00 -0.26 0.00 0.00 58.87 55.97 1s5a n SER 84 Cb 0.37 1.21 0.27 0.00 -0.26 0.00 0.00 64.21 65.80 1s5a n SER 84 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1s5a n ASN 85 N -1.98 4.54 -4.85 4.04 5.03 -1.26 -4.59 115.26 116.19 1s5a n ASN 85 Ca 0.05 -3.12 -0.37 0.00 0.87 0.00 0.00 54.58 52.01 1s5a n ASN 85 Cb 0.45 -0.73 -0.06 0.00 -1.02 0.00 0.00 39.78 38.42 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 -2.76 5.41 0.04 3.41 2.01 -1.26 -2.99 115.64 119.49 1s5a s THR 86 Ca 0.50 0.33 0.04 0.00 0.31 0.00 0.00 61.69 62.88 1s5a s THR 86 Cb 0.40 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 1s5a s THR 86 CO 0.12 0.58 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.81 1s5a s VAL 87 N -0.78 1.01 -0.04 3.82 1.01 0.57 -3.58 120.40 122.41 1s5a s VAL 87 Ca 0.16 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.21 1s5a s VAL 87 Cb -0.13 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1s5a s VAL 87 CO 0.05 -0.04 -0.21 -0.63 0.00 0.00 0.00 175.10 174.26 1s5a s ILE 88 N -0.89 1.76 0.02 2.22 1.01 -0.71 -0.18 121.20 124.43 1s5a s ILE 88 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1s5a s ILE 88 Cb -0.08 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 1s5a s ILE 88 CO 0.01 0.50 -0.11 0.00 0.00 0.00 0.00 174.94 175.33 1s5a s ALA 89 N -0.15 0.94 -0.04 9.38 0.00 -0.01 -0.27 121.76 131.61 1s5a s ALA 89 Ca -0.01 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1s5a s ALA 89 Cb -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1s5a s ALA 89 CO 0.02 0.18 -0.24 -1.21 0.00 0.00 0.00 175.76 174.51 1s5a s GLU 90 N -0.83 2.22 -0.06 0.00 2.02 -0.31 -0.26 118.70 121.48 1s5a s GLU 90 Ca 0.01 -0.87 -0.31 0.00 0.02 0.00 0.00 54.97 53.82 1s5a s GLU 90 Cb -0.06 -2.00 0.11 0.00 0.10 0.00 0.00 34.13 32.28 1s5a s GLU 90 CO 0.00 0.45 1.06 -0.59 0.02 0.00 0.00 175.26 176.20 1s5a s PHE 91 N -0.36 -0.21 0.18 1.61 -0.12 -0.95 -0.89 117.98 117.23 1s5a s PHE 91 Ca 0.03 0.09 0.06 0.00 -0.05 0.00 0.00 56.93 57.06 1s5a s PHE 91 Cb -0.11 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.77 1s5a s PHE 91 CO 0.01 -0.42 -0.11 -0.65 -0.05 0.00 0.00 175.22 174.01 1s5a s GLN 92 N -2.80 1.18 0.18 1.99 -0.21 -1.26 -0.72 119.66 118.02 1s5a s GLN 92 Ca 0.08 -1.52 0.06 0.00 0.02 0.00 0.00 55.36 54.00 1s5a s GLN 92 Cb -0.00 -0.80 -0.05 0.00 1.00 0.00 0.00 33.01 33.16 1s5a s GLN 92 CO -0.06 0.10 -0.13 0.00 -2.12 0.00 0.00 175.29 173.09 1s5a s ASP 94 N -3.26 1.30 0.00 0.00 3.68 -0.09 -2.50 116.67 115.81 1s5a s ASP 94 Ca 0.20 -0.66 0.00 0.00 2.13 0.00 0.00 52.55 54.22 1s5a s ASP 94 Cb 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 42.92 41.48 1s5a s ASP 94 CO 0.04 -0.19 0.00 0.61 0.13 0.00 0.00 175.17 175.77 1s5a n GLY 95 N 1.09 -0.56 3.29 2.66 0.00 -0.57 -0.28 105.19 110.82 1s5a n GLY 95 Ca -0.20 -0.74 -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 -3.64 -0.16 0.02 1.61 -3.43 -0.22 -1.10 115.29 108.38 1s5a s HIS 96 Ca 0.00 -0.09 -0.30 0.00 -0.80 0.00 0.00 55.06 53.87 1s5a s HIS 96 Cb 0.00 0.18 -0.04 0.00 -1.43 0.00 0.00 32.58 31.30 1s5a s HIS 96 CO 0.00 -0.63 1.05 0.08 -2.00 0.00 0.00 174.74 173.24 1s5a s VAL 97 N -3.36 4.60 0.09 -5.38 1.01 0.29 -0.79 120.40 116.86 1s5a s VAL 97 Ca 0.00 1.88 -0.22 0.00 0.00 0.00 0.00 61.98 63.64 1s5a s VAL 97 Cb 0.01 -4.20 -0.13 0.00 0.00 0.00 0.00 36.38 32.06 1s5a s VAL 97 CO -0.09 0.15 1.71 0.40 0.00 0.00 0.00 175.10 177.27 1s5a h ILE 98 N 4.68 1.06 -0.37 2.22 1.08 -1.46 0.51 117.51 125.23 1s5a h ILE 98 Ca -0.41 -0.15 0.04 0.00 -0.39 0.00 0.00 64.86 63.94 1s5a h ILE 98 Cb 1.22 1.03 -0.04 0.00 -3.07 0.00 0.00 36.82 35.96 1s5a h ILE 98 CO 0.77 0.05 0.14 -0.08 -0.69 0.00 0.00 178.15 178.33 1s5a h GLU 99 N 0.05 0.29 0.00 2.37 4.81 -1.87 -3.27 114.58 116.96 1s5a h GLU 99 Ca 0.03 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1s5a h GLU 99 Cb 0.04 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1s5a h GLU 99 CO -0.00 0.19 -2.03 0.25 -0.73 0.00 0.00 179.01 176.68 1s5a n THR 100 N -5.01 0.40 -0.88 0.32 -2.24 -1.22 -4.98 114.28 100.68 1s5a n THR 100 Ca 0.01 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1s5a n THR 100 Cb 0.13 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 1.38 0.92 3.80 3.38 0.00 0.18 -5.01 105.19 109.84 1s5a n GLY 101 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 3.76 0.51 0.99 1.43 -1.24 -4.60 118.68 119.53 1s5a s LEU 102 Ca 0.00 1.93 -0.21 0.00 -1.03 0.00 0.00 54.13 54.82 1s5a s LEU 102 Cb 0.00 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.59 1s5a s LEU 102 CO 0.00 -0.91 1.01 -2.65 0.23 0.00 0.00 176.35 174.02 1s5a n PRO 103 N -1.23 1.18 -3.81 1.29 -0.02 -1.26 -0.54 135.00 130.61 1s5a n PRO 103 Ca 0.09 0.44 -0.24 0.00 -2.02 0.00 0.00 63.50 61.77 1s5a n PRO 103 Cb 0.52 -2.14 -0.17 0.00 -0.02 0.00 0.00 33.50 31.69 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 -1.40 0.92 -0.13 6.00 5.04 -0.26 -4.65 117.35 122.87 1s5a s TYR 104 Ca 0.69 -0.36 -0.00 0.00 -2.44 0.00 0.00 57.07 54.95 1s5a s TYR 104 Cb -0.48 -0.94 0.03 0.00 0.35 0.00 0.00 41.96 40.93 1s5a s TYR 104 CO 0.52 -0.39 -0.07 1.03 -1.34 0.00 0.00 175.55 175.30 1s5a s ARG 105 N 1.89 1.48 0.07 4.97 1.81 -1.26 -1.51 118.95 126.40 1s5a s ARG 105 Ca 0.05 -0.34 0.07 0.00 -1.72 0.00 0.00 55.73 53.78 1s5a s ARG 105 Cb -0.12 -1.73 -0.03 0.00 -0.45 0.00 0.00 34.95 32.62 1s5a s ARG 105 CO -0.06 -0.33 -0.18 -1.14 -0.68 0.00 0.00 175.30 172.91 1s5a s GLN 106 N 1.69 1.07 -0.09 3.54 2.00 -1.04 -4.98 119.66 121.85 1s5a s GLN 106 Ca 0.03 -0.98 0.04 0.00 -2.00 0.00 0.00 55.36 52.45 1s5a s GLN 106 Cb -0.13 -1.20 0.00 0.00 0.80 0.00 0.00 33.01 32.48 1s5a s GLN 106 CO -0.08 0.29 -0.22 -1.12 -0.50 0.00 0.00 175.29 173.65 1s5a s SER 107 N -1.54 2.90 0.09 6.67 0.01 -1.26 -0.97 113.70 119.60 1s5a s SER 107 Ca 0.04 -0.52 0.09 0.00 1.31 0.00 0.00 55.95 56.87 1s5a s SER 107 Cb -0.09 -1.30 -0.03 0.00 0.21 0.00 0.00 66.02 64.80 1s5a s SER 107 CO 0.03 0.15 -0.25 -0.31 0.41 0.00 0.00 173.24 173.27 1s5a s TYR 108 N 0.36 2.12 -0.04 2.43 2.02 0.10 -3.91 117.35 120.44 1s5a s TYR 108 Ca -0.18 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.12 1s5a s TYR 108 Cb -0.17 -1.20 0.03 0.00 -0.40 0.00 0.00 41.96 40.21 1s5a s TYR 108 CO 0.08 0.22 0.03 -1.50 -1.57 0.00 0.00 175.55 172.81 1s5a s ILE 109 N -0.98 0.03 0.00 2.71 2.07 -1.06 -2.24 121.20 121.74 1s5a s ILE 109 Ca 0.11 0.28 0.08 0.00 -1.41 0.00 0.00 60.65 59.70 1s5a s ILE 109 Cb -0.10 -0.22 -0.02 0.00 0.13 0.00 0.00 42.46 42.25 1s5a s ILE 109 CO 0.04 0.17 -0.24 -0.44 -1.91 0.00 0.00 174.94 172.56 1s5a s SER 110 N 1.72 2.86 -0.27 4.50 0.01 0.64 -1.84 113.70 121.32 1s5a s SER 110 Ca -0.00 -0.48 -0.02 0.00 1.31 0.00 0.00 55.95 56.76 1s5a s SER 110 Cb -0.13 -0.29 0.04 0.00 0.21 0.00 0.00 66.02 65.85 1s5a s SER 110 CO -0.03 0.27 -0.03 -0.69 0.41 0.00 0.00 173.24 173.17 1s5a s VAL 111 N -0.65 2.92 -0.05 3.43 1.01 -0.62 -0.83 120.40 125.62 1s5a s VAL 111 Ca 0.10 -1.22 0.06 0.00 0.00 0.00 0.00 61.98 60.92 1s5a s VAL 111 Cb -0.09 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1s5a s VAL 111 CO 0.00 0.04 -0.24 -0.63 0.00 0.00 0.00 175.10 174.27 1s5a s ILE 112 N 1.28 1.93 -0.06 2.22 1.01 0.75 -0.80 121.20 127.53 1s5a s ILE 112 Ca -0.03 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.66 1s5a s ILE 112 Cb -0.18 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 1s5a s ILE 112 CO -0.03 0.54 -0.20 -1.61 0.00 0.00 0.00 174.94 173.64 1s5a s GLU 113 N -0.22 2.62 0.09 2.79 2.02 -0.02 -0.31 118.70 125.67 1s5a s GLU 113 Ca -0.01 -0.81 0.04 0.00 0.02 0.00 0.00 54.97 54.21 1s5a s GLU 113 Cb -0.12 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1s5a s GLU 113 CO 0.02 0.45 -0.10 0.95 0.02 0.00 0.00 175.26 176.60 1s5a s THR 114 N -0.30 0.91 -0.13 3.63 -4.23 -1.16 -0.80 115.64 113.55 1s5a s THR 114 Ca 0.01 -1.62 -0.02 0.00 -1.18 0.00 0.00 61.69 58.88 1s5a s THR 114 Cb -0.13 -1.34 0.04 0.00 1.34 0.00 0.00 72.50 72.42 1s5a s THR 114 CO 0.02 -0.56 0.00 -0.60 -0.54 0.00 0.00 174.62 172.94 1s5a s ARG 115 N -2.78 0.80 -1.49 3.99 3.52 -0.33 -4.79 118.95 117.87 1s5a s ARG 115 Ca 0.05 -0.18 -0.12 0.00 -0.13 0.00 0.00 55.73 55.34 1s5a s ARG 115 Cb -0.03 -1.55 0.08 0.00 -1.56 0.00 0.00 34.95 31.89 1s5a s ARG 115 CO -0.00 -0.43 0.85 -3.47 -0.81 0.00 0.00 175.30 171.43 1s5a n ASP 116 N 5.06 -4.75 0.00 -2.12 2.03 -1.26 -1.38 116.55 114.13 1s5a n ASP 116 Ca -0.09 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.57 1s5a n ASP 116 Cb 0.49 -3.82 0.00 0.00 -0.72 0.00 0.00 41.12 37.07 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 -1.57 2.73 3.76 0.27 0.00 -1.26 -5.01 105.19 104.11 1s5a n GLY 117 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.21 4.45 -0.08 1.61 0.52 -0.48 -4.75 118.95 120.01 1s5a s ARG 118 Ca 0.00 1.00 -0.30 0.00 -0.52 0.00 0.00 55.73 55.91 1s5a s ARG 118 Cb 0.00 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 1s5a s ARG 118 CO 0.00 0.41 1.34 0.42 0.02 0.00 0.00 175.30 177.49 1s5a s ILE 119 N -0.47 4.03 -0.09 1.52 1.01 -0.12 -1.19 121.20 125.90 1s5a s ILE 119 Ca 0.36 1.32 0.14 0.00 0.00 0.00 0.00 60.65 62.47 1s5a s ILE 119 Cb -0.21 -3.85 -0.20 0.00 0.01 0.00 0.00 42.46 38.21 1s5a s ILE 119 CO 0.22 -0.06 0.17 1.33 0.00 0.00 0.00 174.94 176.61 1s5a n VAL 120 N 5.03 0.56 -3.75 2.92 0.24 0.02 -0.83 118.33 122.52 1s5a n VAL 120 Ca 0.13 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 61.80 1s5a n VAL 120 Cb 0.45 -0.29 -0.11 0.00 -1.47 0.00 0.00 33.84 32.42 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 -2.66 0.40 -0.21 7.34 3.52 -1.11 -1.26 118.95 124.97 1s5a s ARG 121 Ca -0.06 0.48 -0.04 0.00 -0.13 0.00 0.00 55.73 55.98 1s5a s ARG 121 Cb 0.07 0.19 0.10 0.00 -1.56 0.00 0.00 34.95 33.74 1s5a s ARG 121 CO 0.61 -0.05 0.24 -0.47 -0.81 0.00 0.00 175.30 174.82 1s5a s TYR 122 N 0.22 -0.34 -0.44 5.12 6.04 -0.06 -0.84 117.35 127.04 1s5a s TYR 122 Ca -0.00 0.29 -0.16 0.00 0.04 0.00 0.00 57.07 57.24 1s5a s TYR 122 Cb -0.03 -0.32 0.04 0.00 -1.04 0.00 0.00 41.96 40.62 1s5a s TYR 122 CO 0.00 -0.62 0.39 0.50 -1.54 0.00 0.00 175.55 174.28 1s5a s ARG 123 N 2.35 3.01 -0.77 4.97 3.52 0.02 -0.41 118.95 131.64 1s5a s ARG 123 Ca 0.08 -1.09 -0.13 0.00 -0.13 0.00 0.00 55.73 54.46 1s5a s ARG 123 Cb -0.16 -4.05 0.20 0.00 -1.56 0.00 0.00 34.95 29.39 1s5a s ARG 123 CO -0.13 -0.92 0.69 0.34 -0.81 0.00 0.00 175.30 174.48 1s5a s ASP 124 N 2.14 6.50 0.02 -2.12 2.15 0.55 -1.59 116.67 124.33 1s5a s ASP 124 Ca 0.07 -2.61 -0.27 0.00 0.43 0.00 0.00 52.55 50.17 1s5a s ASP 124 Cb -0.21 -2.16 -0.04 0.00 -0.30 0.00 0.00 42.92 40.21 1s5a s ASP 124 CO 0.10 -0.58 0.85 -0.31 -0.17 0.00 0.00 175.17 175.05 1s5a s TYR 125 N 0.30 3.69 0.16 -5.34 2.02 -0.77 -4.26 117.35 113.17 1s5a s TYR 125 Ca 0.16 1.55 -0.10 0.00 -0.37 0.00 0.00 57.07 58.31 1s5a s TYR 125 Cb -0.14 -2.94 -0.00 0.00 -0.40 0.00 0.00 41.96 38.48 1s5a s TYR 125 CO -0.07 0.14 0.31 1.67 -1.57 0.00 0.00 175.55 176.03 1s5a s TRP 126 N 0.44 0.30 -0.44 2.71 1.48 -1.26 -2.56 118.94 119.60 1s5a s TRP 126 Ca 0.44 -0.67 -0.28 0.00 -1.06 0.00 0.00 56.10 54.53 1s5a s TRP 126 Cb -0.21 0.01 0.03 0.00 -1.16 0.00 0.00 33.47 32.14 1s5a s TRP 126 CO 0.25 -0.73 1.07 1.21 -4.06 0.00 0.00 176.95 174.68 1s5a s ASN 127 N -2.94 6.65 0.52 -2.66 3.84 -1.25 -4.77 114.94 114.32 1s5a s ASN 127 Ca 0.15 0.47 0.31 0.00 0.21 0.00 0.00 52.86 54.00 1s5a s ASN 127 Cb 0.03 -2.52 1.28 0.00 -0.55 0.00 0.00 41.25 39.49 1s5a s ASN 127 CO -0.01 -1.13 1.96 1.55 -2.79 0.00 0.00 177.10 176.68 1s5a h PRO 128 N 8.99 0.00 -0.33 0.43 0.13 -1.98 -2.57 132.00 136.66 1s5a h PRO 128 Ca -0.23 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.78 1s5a h PRO 128 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1s5a h PRO 128 CO 1.08 0.08 -0.29 1.25 -0.23 0.00 0.00 178.00 179.89 1s5a h LEU 129 N 0.00 0.73 -0.65 1.56 6.46 -1.94 -0.69 115.31 120.78 1s5a h LEU 129 Ca -0.00 -0.28 -0.04 0.00 -0.12 0.00 0.00 57.88 57.43 1s5a h LEU 129 Cb 0.55 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 1s5a h LEU 129 CO 0.01 0.98 0.24 0.58 -0.62 0.00 0.00 178.44 179.63 1s5a h VAL 130 N 0.60 1.24 -0.31 1.05 2.07 -1.84 0.62 116.25 119.68 1s5a h VAL 130 Ca 0.07 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1s5a h VAL 130 Cb 0.80 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1s5a h VAL 130 CO 0.07 0.30 0.08 0.58 0.02 0.00 0.00 177.57 178.62 1s5a h VAL 131 N 0.92 1.22 -0.44 2.57 2.07 -1.36 -0.94 116.25 120.28 1s5a h VAL 131 Ca 0.21 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1s5a h VAL 131 Cb 0.23 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1s5a h VAL 131 CO -0.01 0.24 0.27 0.11 0.02 0.00 0.00 177.57 178.20 1s5a h LYS 132 N 0.34 0.60 -0.83 1.57 1.57 -0.84 -1.49 116.57 117.48 1s5a h LYS 132 Ca 0.10 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1s5a h LYS 132 Cb 0.29 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1s5a h LYS 132 CO 0.00 0.43 0.55 0.93 -0.57 0.00 0.00 179.45 180.79 1s5a h GLU 133 N 0.59 1.06 -0.31 3.15 4.39 -0.74 -1.62 114.58 121.10 1s5a h GLU 133 Ca 0.16 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 1s5a h GLU 133 Cb -0.02 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 1s5a h GLU 133 CO -0.03 0.70 -0.06 0.00 -1.16 0.00 0.00 179.01 178.46 1s5a h ALA 134 N 1.32 1.32 -1.06 3.43 0.00 -0.70 -3.18 119.26 120.39 1s5a h ALA 134 Ca 0.32 -0.23 -0.59 0.00 0.00 0.00 0.00 54.91 54.41 1s5a h ALA 134 Cb -0.07 -0.14 -0.40 0.00 0.00 0.00 0.00 17.79 17.18 1s5a h ALA 134 CO -0.09 0.46 -0.52 1.19 0.00 0.00 0.00 179.25 180.29 1s5a n PHE 135 N -4.24 3.05 -3.12 0.00 3.72 -0.60 -4.99 117.46 111.28 1s5a n PHE 135 Ca 0.01 -2.62 -0.10 0.00 -0.05 0.00 0.00 57.45 54.69 1s5a n PHE 135 Cb 0.28 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 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 -0.64 -0.43 1.90 1.37 0.00 -0.70 -0.23 105.19 106.46 1s5a n GLY 136 Ca 0.45 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 2.27 1.02 -0.02 0.00 -0.69 -5.00 105.19 101.79 1s5a n GLY 137 Ca -0.10 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 1s5a n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s5a n SER 138 N 1.93 -1.68 -4.16 1.61 7.64 0.67 -4.87 113.62 114.77 1s5a n SER 138 Ca 0.00 -0.58 -0.16 0.00 1.01 0.00 0.00 58.87 59.13 1s5a n SER 138 Cb 0.00 -0.30 -0.11 0.00 -1.01 0.00 0.00 64.21 62.79 1s5a n SER 138 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1s5a s PHE 139 N -1.53 1.09 -0.85 1.43 2.19 -1.26 -4.26 117.98 114.79 1s5a s PHE 139 Ca 0.21 -0.52 0.00 0.00 0.33 0.00 0.00 56.93 56.95 1s5a s PHE 139 Cb -0.02 -0.61 0.00 0.00 -1.31 0.00 0.00 43.02 41.08 1s5a s PHE 139 CO 0.16 0.02 0.21 1.47 1.83 0.00 0.00 175.22 178.92