#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ps5 s VAL 2 N 0.00 4.71 0.53 3.15 1.01 -1.26 -1.03 120.40 127.51 1ps5 s VAL 2 Ca 0.00 -1.39 -0.20 0.00 0.00 0.00 0.00 61.98 60.40 1ps5 s VAL 2 Cb 0.00 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 1ps5 s VAL 2 CO 0.00 -0.64 1.11 -0.36 0.00 0.00 0.00 175.10 175.21 1ps5 s PHE 3 N 1.51 2.73 0.57 5.22 0.40 0.11 -4.96 117.98 123.56 1ps5 s PHE 3 Ca 0.04 1.55 -0.07 0.00 -0.60 0.00 0.00 56.93 57.84 1ps5 s PHE 3 Cb -0.25 -3.25 -0.02 0.00 0.51 0.00 0.00 43.02 40.01 1ps5 s PHE 3 CO 0.03 -1.43 0.91 0.20 0.70 0.00 0.00 175.22 175.63 1ps5 s GLY 4 N -1.82 1.58 0.09 4.36 0.00 -1.26 -4.79 107.32 105.48 1ps5 s GLY 4 Ca 0.72 -0.44 -0.32 0.00 0.00 0.00 0.00 44.72 44.68 1ps5 s GLY 4 CO 0.26 -0.20 1.61 -0.09 0.00 0.00 0.00 173.10 174.68 1ps5 h ARG 5 N -0.11 -0.77 -0.03 2.90 2.43 -1.96 -1.56 114.38 115.28 1ps5 h ARG 5 Ca -0.46 0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.64 1ps5 h ARG 5 Cb 1.22 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 1ps5 h ARG 5 CO 0.62 -0.51 -0.56 0.00 -1.51 0.00 0.00 179.97 178.01 1ps5 h GLU 7 N 0.08 0.83 -0.08 0.00 4.81 -1.91 -0.94 114.58 117.37 1ps5 h GLU 7 Ca -0.00 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1ps5 h GLU 7 Cb 1.02 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1ps5 h GLU 7 CO 0.08 0.55 -0.57 1.25 -0.73 0.00 0.00 179.01 179.58 1ps5 h LEU 8 N 0.85 0.28 -0.36 1.64 5.85 -1.17 -2.37 115.31 120.03 1ps5 h LEU 8 Ca 0.23 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1ps5 h LEU 8 Cb -0.10 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1ps5 h LEU 8 CO -0.05 0.79 0.22 0.00 -0.34 0.00 0.00 178.44 179.06 1ps5 h ALA 9 N 1.21 0.45 -0.55 1.25 0.00 -0.72 0.42 119.26 121.33 1ps5 h ALA 9 Ca -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1ps5 h ALA 9 Cb 1.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1ps5 h ALA 9 CO 0.09 -0.05 0.07 0.00 0.00 0.00 0.00 179.25 179.36 1ps5 h ALA 10 N 1.09 0.74 -0.58 0.00 0.00 -1.11 -1.58 119.26 117.82 1ps5 h ALA 10 Ca 0.13 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1ps5 h ALA 10 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1ps5 h ALA 10 CO -0.02 0.50 0.03 0.00 0.00 0.00 0.00 179.25 179.75 1ps5 h ALA 11 N 0.99 0.77 -0.44 0.00 0.00 -1.18 -0.42 119.26 118.98 1ps5 h ALA 11 Ca 0.17 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1ps5 h ALA 11 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1ps5 h ALA 11 CO 0.01 0.58 0.06 0.52 0.00 0.00 0.00 179.25 180.42 1ps5 h MET 12 N 0.89 0.74 -0.83 0.00 2.86 -0.77 -0.79 114.93 117.03 1ps5 h MET 12 Ca 0.17 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1ps5 h MET 12 Cb 0.51 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 1ps5 h MET 12 CO 0.02 0.78 0.40 -0.22 1.06 0.00 0.00 176.91 178.95 1ps5 h LYS 13 N 0.60 1.20 0.00 1.72 3.64 -1.16 -0.15 116.57 122.42 1ps5 h LYS 13 Ca 0.13 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1ps5 h LYS 13 Cb 0.40 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1ps5 h LYS 13 CO 0.01 0.92 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.95 1ps5 h ARG 14 N 1.18 0.00 -0.65 1.90 2.43 -0.72 -1.03 114.38 117.49 1ps5 h ARG 14 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1ps5 h ARG 14 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1ps5 h ARG 14 CO -0.04 0.07 0.00 0.72 -1.51 0.00 0.00 179.97 179.22 1ps5 n HIS 15 N -4.34 1.44 -1.99 2.20 8.25 -0.16 -4.94 115.22 115.68 1ps5 n HIS 15 Ca -0.03 -0.53 -0.10 0.00 -0.26 0.00 0.00 57.72 56.81 1ps5 n HIS 15 Cb 0.15 -0.32 -0.01 0.00 1.12 0.00 0.00 29.99 30.93 1ps5 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ps5 n GLY 16 N 0.72 0.21 0.03 -1.41 0.00 -0.39 -4.94 105.19 99.41 1ps5 n GLY 16 Ca 0.21 -0.50 0.11 0.00 0.00 0.00 0.00 46.02 45.84 1ps5 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ps5 n LEU 17 N -1.33 0.63 -4.58 0.99 4.77 -0.65 -4.48 117.00 112.35 1ps5 n LEU 17 Ca -0.11 -0.01 -0.41 0.00 -0.03 0.00 0.00 56.01 55.45 1ps5 n LEU 17 Cb 0.53 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1ps5 n LEU 17 CO 0.14 0.05 1.45 -0.62 -1.33 0.00 0.00 177.39 177.08 1ps5 s ASP 18 N -3.78 5.84 -0.06 -1.43 2.15 -1.26 -2.40 116.67 115.74 1ps5 s ASP 18 Ca 0.05 0.75 0.00 0.00 0.43 0.00 0.00 52.55 53.78 1ps5 s ASP 18 Cb 0.15 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1ps5 s ASP 18 CO 0.78 -1.85 0.00 -3.20 -0.17 0.00 0.00 175.17 170.73 1ps5 n ASN 19 N 10.58 -3.09 -4.70 -0.34 5.15 0.09 -4.82 115.26 118.12 1ps5 n ASN 19 Ca 0.19 0.01 -0.42 0.00 -0.60 0.00 0.00 54.58 53.76 1ps5 n ASN 19 Cb 0.49 -0.64 -0.03 0.00 -0.53 0.00 0.00 39.78 39.07 1ps5 n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1ps5 s TYR 20 N -2.01 2.82 -1.86 1.20 5.04 -1.01 -1.63 117.35 119.91 1ps5 s TYR 20 Ca 0.00 0.59 0.00 0.00 -2.44 0.00 0.00 57.07 55.22 1ps5 s TYR 20 Cb 0.00 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.44 1ps5 s TYR 20 CO 0.00 -3.29 0.00 0.54 -1.34 0.00 0.00 175.55 171.46 1ps5 n ARG 21 N 4.76 -1.58 -0.81 4.97 5.12 -1.26 -1.55 116.66 126.30 1ps5 n ARG 21 Ca 0.14 1.04 0.00 0.00 -1.93 0.00 0.00 57.85 57.10 1ps5 n ARG 21 Cb 0.41 -5.52 0.00 0.00 -1.16 0.00 0.00 32.46 26.18 1ps5 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ps5 n GLY 22 N -0.62 0.58 3.38 -0.13 0.00 -0.64 -5.03 105.19 102.73 1ps5 n GLY 22 Ca -0.21 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1ps5 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ps5 s TYR 23 N -2.00 3.25 0.69 1.61 2.02 -0.60 -4.93 117.35 117.40 1ps5 s TYR 23 Ca 0.00 -0.94 -0.17 0.00 -0.37 0.00 0.00 57.07 55.60 1ps5 s TYR 23 Cb 0.00 -2.61 -0.00 0.00 -0.40 0.00 0.00 41.96 38.95 1ps5 s TYR 23 CO 0.00 -0.67 1.06 -1.13 -1.57 0.00 0.00 175.55 173.24 1ps5 n SER 24 N 5.05 0.96 -0.34 2.29 3.41 -1.26 -0.73 113.62 122.99 1ps5 n SER 24 Ca -0.11 0.72 0.30 0.00 -0.26 0.00 0.00 58.87 59.52 1ps5 n SER 24 Cb 0.46 -1.45 0.63 0.00 -0.26 0.00 0.00 64.21 63.59 1ps5 n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ps5 h LEU 25 N 0.00 0.23 -1.06 1.04 5.85 -1.88 -1.57 115.31 117.93 1ps5 h LEU 25 Ca -0.48 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.41 1ps5 h LEU 25 Cb 1.34 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.31 1ps5 h LEU 25 CO 0.49 0.02 0.62 1.23 -0.34 0.00 0.00 178.44 180.46 1ps5 h GLY 26 N 0.19 1.56 0.85 3.75 0.00 -1.89 -2.24 103.07 105.30 1ps5 h GLY 26 Ca 0.61 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.56 1ps5 h GLY 26 CO -0.19 0.16 0.20 3.43 0.00 0.00 0.00 176.54 180.15 1ps5 h ASN 27 N 0.95 0.31 -0.56 0.19 2.35 -1.50 -1.27 115.58 116.07 1ps5 h ASN 27 Ca 0.48 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 56.16 1ps5 h ASN 27 Cb 0.51 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1ps5 h ASN 27 CO -0.25 0.23 0.02 -0.50 -1.65 0.00 0.00 177.43 175.28 1ps5 h TRP 28 N 0.42 1.07 -0.26 1.19 4.06 -1.55 0.74 115.95 121.62 1ps5 h TRP 28 Ca 0.16 -0.17 -0.07 0.00 2.06 0.00 0.00 58.89 60.87 1ps5 h TRP 28 Cb 0.04 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 27.91 1ps5 h TRP 28 CO -0.09 0.94 -0.11 0.28 -3.56 0.00 0.00 178.44 175.90 1ps5 h VAL 29 N 0.92 1.29 -0.68 1.49 2.07 -1.33 -1.40 116.25 118.61 1ps5 h VAL 29 Ca 0.17 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 1ps5 h VAL 29 Cb 0.50 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1ps5 h VAL 29 CO 0.02 0.37 0.22 0.00 0.02 0.00 0.00 177.57 178.21 1ps5 h ALA 31 N 1.24 0.58 -0.58 0.00 0.00 -0.75 -2.49 119.26 117.27 1ps5 h ALA 31 Ca 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ps5 h ALA 31 Cb 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1ps5 h ALA 31 CO -0.01 0.27 0.26 0.00 0.00 0.00 0.00 179.25 179.77 1ps5 h ALA 32 N 0.97 0.74 0.04 0.00 0.00 -0.85 0.67 119.26 120.84 1ps5 h ALA 32 Ca 0.14 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ps5 h ALA 32 Cb 0.32 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1ps5 h ALA 32 CO 0.00 0.32 -0.21 -0.22 0.00 0.00 0.00 179.25 179.14 1ps5 h LYS 33 N 0.78 -0.35 0.00 0.00 1.63 -0.91 -1.37 116.57 116.35 1ps5 h LYS 33 Ca 0.20 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1ps5 h LYS 33 Cb 0.14 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1ps5 h LYS 33 CO -0.02 -0.23 -0.28 0.74 -3.45 0.00 0.00 179.45 176.20 1ps5 h PHE 34 N -0.36 0.00 0.16 1.91 0.04 -1.33 0.20 116.94 117.55 1ps5 h PHE 34 Ca 0.05 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.56 1ps5 h PHE 34 Cb 0.42 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.58 1ps5 h PHE 34 CO -0.24 0.00 -1.23 0.93 -0.60 0.00 0.00 178.31 177.18 1ps5 h GLU 35 N 0.00 0.33 0.00 1.51 4.39 -0.77 -3.43 114.58 116.62 1ps5 h GLU 35 Ca 0.00 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.13 1ps5 h GLU 35 Cb 0.92 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1ps5 h GLU 35 CO 0.00 1.27 0.00 -1.13 -1.16 0.00 0.00 179.01 177.99 1ps5 n SER 36 N -3.93 0.16 -3.56 1.42 3.41 -0.59 -4.80 113.62 105.72 1ps5 n SER 36 Ca -0.19 -1.05 -0.24 0.00 -0.26 0.00 0.00 58.87 57.13 1ps5 n SER 36 Cb 0.92 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.95 1ps5 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ps5 n ASN 37 N -0.03 -6.30 -0.83 4.04 5.15 0.70 -2.21 115.26 115.79 1ps5 n ASN 37 Ca 0.00 -0.53 -0.11 0.00 -0.60 0.00 0.00 54.58 53.34 1ps5 n ASN 37 Cb 0.34 -4.97 -0.05 0.00 -0.53 0.00 0.00 39.78 34.58 1ps5 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ps5 n PHE 38 N -4.95 0.00 -3.60 1.20 3.72 -1.12 -4.83 117.46 107.88 1ps5 n PHE 38 Ca -0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 1ps5 n PHE 38 Cb 0.56 -2.33 -0.11 0.00 -0.94 0.00 0.00 39.48 36.66 1ps5 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ps5 s ASN 39 N -2.59 5.73 0.42 4.37 2.47 -0.94 0.08 114.94 124.49 1ps5 s ASN 39 Ca 0.00 -0.78 0.29 0.00 0.42 0.00 0.00 52.86 52.79 1ps5 s ASN 39 Cb 0.00 -2.04 1.37 0.00 -1.45 0.00 0.00 41.25 39.13 1ps5 s ASN 39 CO 0.00 -0.31 1.89 0.71 -3.72 0.00 0.00 177.10 175.66 1ps5 h THR 40 N 5.75 0.00 -0.52 -5.21 1.35 -1.39 -2.72 112.91 110.18 1ps5 h THR 40 Ca -0.28 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1ps5 h THR 40 Cb 1.12 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1ps5 h THR 40 CO 0.65 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.92 1ps5 n GLN 41 N -2.61 2.48 -2.06 4.72 6.02 -1.26 -3.95 117.38 120.71 1ps5 n GLN 41 Ca 0.00 -2.27 -0.40 0.00 -0.01 0.00 0.00 57.00 54.32 1ps5 n GLN 41 Cb 0.18 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 1ps5 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ps5 s ALA 42 N -1.32 3.41 -0.02 -1.58 0.00 -1.03 -4.85 121.76 116.38 1ps5 s ALA 42 Ca 0.42 1.28 -0.07 0.00 0.00 0.00 0.00 51.96 53.59 1ps5 s ALA 42 Cb 0.23 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.86 1ps5 s ALA 42 CO 0.31 -0.75 0.15 0.95 0.00 0.00 0.00 175.76 176.41 1ps5 s THR 43 N -1.19 0.06 -0.16 0.00 -4.23 -1.26 -1.91 115.64 106.95 1ps5 s THR 43 Ca 0.52 -0.46 -0.05 0.00 -1.18 0.00 0.00 61.69 60.52 1ps5 s THR 43 Cb -0.40 -0.37 0.08 0.00 1.34 0.00 0.00 72.50 73.15 1ps5 s THR 43 CO 0.52 -0.25 0.30 0.20 -0.54 0.00 0.00 174.62 174.85 1ps5 s ASN 44 N -0.89 0.30 0.34 3.99 0.01 -0.96 -4.96 114.94 112.77 1ps5 s ASN 44 Ca -0.10 0.58 -0.25 0.00 -0.71 0.00 0.00 52.86 52.38 1ps5 s ASN 44 Cb -0.05 0.85 -0.10 0.00 0.41 0.00 0.00 41.25 42.36 1ps5 s ASN 44 CO 0.01 -0.25 0.97 -0.60 -1.51 0.00 0.00 177.10 175.72 1ps5 s ARG 45 N 2.46 4.48 0.25 -0.60 6.06 -1.26 -0.82 118.95 129.53 1ps5 s ARG 45 Ca 0.02 1.38 0.11 0.00 -2.50 0.00 0.00 55.73 54.73 1ps5 s ARG 45 Cb -0.13 -2.73 -0.05 0.00 0.06 0.00 0.00 34.95 32.11 1ps5 s ARG 45 CO -0.10 0.17 -0.14 -0.80 -2.50 0.00 0.00 175.30 171.92 1ps5 s ASN 46 N -1.61 3.88 0.54 -2.12 0.01 -0.21 -4.96 114.94 110.48 1ps5 s ASN 46 Ca 0.52 -0.86 0.21 0.00 -0.71 0.00 0.00 52.86 52.02 1ps5 s ASN 46 Cb -0.19 -0.48 1.46 0.00 0.41 0.00 0.00 41.25 42.45 1ps5 s ASN 46 CO 0.25 0.05 2.19 0.74 -1.51 0.00 0.00 177.10 178.81 1ps5 h THR 47 N 2.36 0.83 0.00 1.60 2.02 -1.98 -0.82 112.91 116.93 1ps5 h THR 47 Ca -0.43 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1ps5 h THR 47 Cb 1.24 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1ps5 h THR 47 CO 0.58 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 175.57 1ps5 n ASP 48 N -4.29 0.00 0.00 4.18 5.68 -1.26 -4.83 116.55 116.03 1ps5 n ASP 48 Ca -0.03 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 1ps5 n ASP 48 Cb 0.09 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1ps5 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ps5 n GLY 49 N 0.45 1.78 3.93 6.12 0.00 -0.31 -4.55 105.19 112.61 1ps5 n GLY 49 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1ps5 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ps5 s SER 50 N -3.20 3.59 -0.05 1.61 1.04 -1.25 -4.40 113.70 111.04 1ps5 s SER 50 Ca 0.00 0.37 -0.08 0.00 0.48 0.00 0.00 55.95 56.72 1ps5 s SER 50 Cb 0.00 -0.56 0.02 0.00 0.10 0.00 0.00 66.02 65.57 1ps5 s SER 50 CO 0.00 -2.44 0.21 -0.89 0.98 0.00 0.00 173.24 171.10 1ps5 s THR 51 N -3.75 0.03 -0.13 2.02 2.01 -1.26 -1.05 115.64 113.51 1ps5 s THR 51 Ca 0.70 -0.25 -0.12 0.00 0.31 0.00 0.00 61.69 62.33 1ps5 s THR 51 Cb -0.06 -0.38 -0.05 0.00 0.01 0.00 0.00 72.50 72.02 1ps5 s THR 51 CO 0.51 -0.14 0.26 -1.81 -0.69 0.00 0.00 174.62 172.75 1ps5 s ASP 52 N -0.48 6.45 -0.01 3.53 1.01 0.00 -1.13 116.67 126.05 1ps5 s ASP 52 Ca -0.06 0.53 0.06 0.00 0.71 0.00 0.00 52.55 53.80 1ps5 s ASP 52 Cb -0.04 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 1ps5 s ASP 52 CO 0.01 0.21 -0.20 -0.31 0.21 0.00 0.00 175.17 175.09 1ps5 s TYR 53 N -0.09 1.82 0.00 4.23 1.51 0.11 -2.26 117.35 122.67 1ps5 s TYR 53 Ca 0.16 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 1ps5 s TYR 53 Cb -0.13 -1.16 0.00 0.00 -0.11 0.00 0.00 41.96 40.56 1ps5 s TYR 53 CO 0.05 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.88 1ps5 n GLY 54 N 2.48 -2.18 0.38 0.71 0.00 -0.80 -1.03 105.19 104.76 1ps5 n GLY 54 Ca -0.15 -1.48 0.16 0.00 0.00 0.00 0.00 46.02 44.55 1ps5 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ps5 h ILE 55 N 0.00 0.73 -0.45 -0.61 6.09 -1.71 -0.96 117.51 120.60 1ps5 h ILE 55 Ca 0.00 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 1ps5 h ILE 55 Cb 0.00 0.15 0.00 0.00 0.47 0.00 0.00 36.82 37.44 1ps5 h ILE 55 CO 0.00 0.10 0.00 0.18 -3.07 0.00 0.00 178.15 175.36 1ps5 n LEU 56 N -4.56 3.31 -3.74 2.19 4.77 -1.26 -3.65 117.00 114.06 1ps5 n LEU 56 Ca 0.19 -2.07 -0.28 0.00 -0.03 0.00 0.00 56.01 53.82 1ps5 n LEU 56 Cb 0.60 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1ps5 n LEU 56 CO 0.29 0.79 -0.11 0.00 -1.33 0.00 0.00 177.39 177.03 1ps5 n GLN 57 N 0.76 -1.14 -2.85 3.23 1.13 -0.37 -4.92 117.38 113.22 1ps5 n GLN 57 Ca 0.16 0.63 -0.41 0.00 -1.94 0.00 0.00 57.00 55.44 1ps5 n GLN 57 Cb 0.52 -3.19 -0.04 0.00 0.11 0.00 0.00 30.24 27.63 1ps5 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ps5 s ILE 58 N -3.22 4.70 0.03 5.09 1.01 -0.19 -4.42 121.20 124.20 1ps5 s ILE 58 Ca 0.22 1.84 -0.26 0.00 0.00 0.00 0.00 60.65 62.44 1ps5 s ILE 58 Cb -0.10 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 1ps5 s ILE 58 CO 0.89 0.30 0.82 0.21 0.00 0.00 0.00 174.94 177.17 1ps5 s ASN 59 N 0.21 7.25 0.41 3.58 3.84 -1.26 0.07 114.94 129.05 1ps5 s ASN 59 Ca 0.44 1.50 0.29 0.00 0.21 0.00 0.00 52.86 55.30 1ps5 s ASN 59 Cb -0.21 -2.50 1.20 0.00 -0.55 0.00 0.00 41.25 39.19 1ps5 s ASN 59 CO 0.26 -0.06 1.86 0.77 -2.79 0.00 0.00 177.10 177.13 1ps5 h SER 60 N 5.99 0.00 -0.08 -4.21 4.64 -1.39 -2.64 113.55 115.86 1ps5 h SER 60 Ca -0.43 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.92 1ps5 h SER 60 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ps5 h SER 60 CO 0.72 0.00 0.06 -0.09 -0.87 0.00 0.00 176.83 176.65 1ps5 h ARG 61 N 0.00 0.00 0.00 4.77 2.43 -1.83 -3.35 114.38 116.40 1ps5 h ARG 61 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ps5 h ARG 61 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1ps5 h ARG 61 CO 0.00 0.00 -0.64 0.91 -1.51 0.00 0.00 179.97 178.73 1ps5 n TRP 62 N -4.42 0.00 -0.02 2.20 7.02 -1.20 -1.35 117.44 119.67 1ps5 n TRP 62 Ca -0.01 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.55 1ps5 n TRP 62 Cb 0.17 0.00 -0.17 0.00 -2.42 0.00 0.00 31.31 28.89 1ps5 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ps5 n TRP 63 N -1.67 0.00 -4.06 -5.99 7.02 -1.00 -0.88 117.44 110.86 1ps5 n TRP 63 Ca 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1ps5 n TRP 63 Cb 0.32 -0.56 -0.07 0.00 -2.42 0.00 0.00 31.31 28.58 1ps5 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ps5 s ASN 65 N -3.06 4.60 0.00 0.00 2.47 -0.73 -4.56 114.94 113.67 1ps5 s ASN 65 Ca 0.27 -0.20 0.00 0.00 0.42 0.00 0.00 52.86 53.35 1ps5 s ASN 65 Cb 0.03 -1.75 0.00 0.00 -1.45 0.00 0.00 41.25 38.08 1ps5 s ASN 65 CO 0.08 0.14 0.79 -0.90 -3.72 0.00 0.00 177.10 173.49 1ps5 n ASP 66 N 3.75 1.46 -0.23 -4.21 5.68 -1.26 -0.64 116.55 121.09 1ps5 n ASP 66 Ca -0.18 -1.63 -0.03 0.00 -0.50 0.00 0.00 54.79 52.46 1ps5 n ASP 66 Cb 0.52 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.49 1ps5 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ps5 n GLY 67 N -0.31 0.47 0.00 6.12 0.00 -1.26 -4.76 105.19 105.45 1ps5 n GLY 67 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ps5 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ps5 n ARG 68 N -1.06 0.00 -3.41 1.61 1.85 -1.26 -5.07 116.66 109.32 1ps5 n ARG 68 Ca -0.03 -0.32 -0.39 0.00 -1.00 0.00 0.00 57.85 56.10 1ps5 n ARG 68 Cb 0.33 -0.35 -0.09 0.00 -1.05 0.00 0.00 32.46 31.30 1ps5 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ps5 s THR 69 N 0.00 5.18 0.32 8.89 2.01 -1.26 -4.85 115.64 125.93 1ps5 s THR 69 Ca 0.00 0.41 -0.29 0.00 0.31 0.00 0.00 61.69 62.12 1ps5 s THR 69 Cb 0.00 -3.71 -0.11 0.00 0.01 0.00 0.00 72.50 68.69 1ps5 s THR 69 CO 0.00 0.11 1.57 -2.84 -0.69 0.00 0.00 174.62 172.77 1ps5 s PRO 70 N 2.03 4.11 -2.01 4.92 0.02 -1.26 -2.04 135.00 140.77 1ps5 s PRO 70 Ca 0.14 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1ps5 s PRO 70 Cb -0.16 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1ps5 s PRO 70 CO 0.11 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 1ps5 n GLY 71 N 1.67 1.67 3.77 0.52 0.00 -1.26 -4.90 105.19 106.65 1ps5 n GLY 71 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1ps5 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ps5 s SER 72 N -2.59 6.36 0.23 1.61 0.15 -0.87 -4.94 113.70 113.66 1ps5 s SER 72 Ca 0.00 3.00 0.10 0.00 0.70 0.00 0.00 55.95 59.75 1ps5 s SER 72 Cb 0.00 -2.65 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 1ps5 s SER 72 CO 0.00 -0.89 -0.11 -0.13 1.20 0.00 0.00 173.24 173.31 1ps5 s ARG 73 N -1.36 1.96 -0.50 5.44 0.52 -0.45 -5.00 118.95 119.56 1ps5 s ARG 73 Ca 0.58 -1.46 0.08 0.00 -0.52 0.00 0.00 55.73 54.40 1ps5 s ARG 73 Cb -0.47 -2.02 0.29 0.00 0.52 0.00 0.00 34.95 33.27 1ps5 s ARG 73 CO 0.56 0.38 0.74 -1.71 0.02 0.00 0.00 175.30 175.29 1ps5 n ASN 74 N -0.35 2.39 0.29 0.23 5.15 -1.22 -3.59 115.26 118.15 1ps5 n ASN 74 Ca -0.08 -3.22 0.14 0.00 -0.60 0.00 0.00 54.58 50.82 1ps5 n ASN 74 Cb 0.58 -0.62 0.87 0.00 -0.53 0.00 0.00 39.78 40.07 1ps5 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ps5 h LEU 75 N 3.57 0.00 -1.13 1.20 3.38 -1.07 -0.23 115.31 121.03 1ps5 h LEU 75 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ps5 h LEU 75 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ps5 h LEU 75 CO 0.66 0.02 0.00 0.00 0.09 0.00 0.00 178.44 179.22 1ps5 n ASN 77 N 0.36 -0.91 -3.78 0.00 5.03 -0.10 -4.99 115.26 110.87 1ps5 n ASN 77 Ca 0.18 -0.90 -0.10 0.00 0.87 0.00 0.00 54.58 54.64 1ps5 n ASN 77 Cb 0.38 -3.64 -0.07 0.00 -1.02 0.00 0.00 39.78 35.44 1ps5 n ASN 77 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1ps5 s ILE 78 N -3.78 0.11 0.30 2.41 -4.36 -1.26 -5.09 121.20 109.53 1ps5 s ILE 78 Ca 0.03 -0.91 -0.28 0.00 -0.26 0.00 0.00 60.65 59.23 1ps5 s ILE 78 Cb -0.01 -1.19 -0.09 0.00 1.25 0.00 0.00 42.46 42.41 1ps5 s ILE 78 CO 0.84 -0.50 1.01 -2.84 0.24 0.00 0.00 174.94 173.69 1ps5 s PRO 79 N -3.52 4.62 0.52 0.37 0.02 -1.26 -1.76 135.00 133.98 1ps5 s PRO 79 Ca 0.02 1.56 0.23 0.00 0.02 0.00 0.00 61.00 62.83 1ps5 s PRO 79 Cb 0.03 -3.03 1.34 0.00 0.02 0.00 0.00 34.50 32.86 1ps5 s PRO 79 CO -0.09 0.26 2.00 0.00 -0.33 0.00 0.00 177.00 178.84 1ps5 h SER 81 N 0.05 0.00 0.36 0.00 4.64 -1.90 0.81 113.55 117.51 1ps5 h SER 81 Ca 0.25 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 1ps5 h SER 81 Cb 0.91 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1ps5 h SER 81 CO -0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.91 1ps5 h ALA 82 N 1.82 1.12 -0.02 5.18 0.00 -1.42 -0.92 119.26 125.02 1ps5 h ALA 82 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ps5 h ALA 82 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ps5 h ALA 82 CO -0.00 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1ps5 n LEU 83 N -3.30 0.40 -0.19 0.00 4.77 0.28 -3.67 117.00 115.29 1ps5 n LEU 83 Ca -0.02 -0.15 0.06 0.00 -0.03 0.00 0.00 56.01 55.87 1ps5 n LEU 83 Cb 0.18 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1ps5 n LEU 83 CO 0.25 0.08 0.15 0.18 -1.33 0.00 0.00 177.39 176.72 1ps5 n LEU 84 N -0.60 1.11 -4.78 2.23 4.77 -0.35 -3.61 117.00 115.76 1ps5 n LEU 84 Ca 0.19 -0.69 -0.31 0.00 -0.03 0.00 0.00 56.01 55.17 1ps5 n LEU 84 Cb 0.15 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1ps5 n LEU 84 CO 0.14 0.23 0.71 -0.94 -1.33 0.00 0.00 177.39 176.20 1ps5 s SER 85 N -1.70 4.91 0.57 -1.43 1.04 -1.24 -4.10 113.70 111.76 1ps5 s SER 85 Ca 0.08 1.80 0.35 0.00 0.48 0.00 0.00 55.95 58.65 1ps5 s SER 85 Cb 0.09 -2.52 1.71 0.00 0.10 0.00 0.00 66.02 65.40 1ps5 s SER 85 CO 0.35 -1.76 2.13 0.77 0.98 0.00 0.00 173.24 175.71 1ps5 h SER 86 N -0.74 0.00 -3.59 7.02 4.64 -1.94 -3.38 113.55 115.57 1ps5 h SER 86 Ca -0.44 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.28 1ps5 h SER 86 Cb 1.23 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.22 1ps5 h SER 86 CO 0.54 0.05 0.66 -0.62 -0.87 0.00 0.00 176.83 176.58 1ps5 s ASP 87 N -5.71 6.50 0.00 4.97 -1.08 -1.26 -4.92 116.67 115.17 1ps5 s ASP 87 Ca -0.02 0.11 0.22 0.00 -0.52 0.00 0.00 52.55 52.34 1ps5 s ASP 87 Cb 0.12 -2.47 1.27 0.00 -1.46 0.00 0.00 42.92 40.38 1ps5 s ASP 87 CO 0.52 -1.13 1.72 2.30 0.52 0.00 0.00 175.17 179.10 1ps5 n ILE 88 N 6.48 0.11 -0.21 4.11 -5.35 -1.26 -4.26 119.36 118.97 1ps5 n ILE 88 Ca 0.07 0.03 -0.05 0.00 -0.27 0.00 0.00 62.75 62.52 1ps5 n ILE 88 Cb 0.48 -0.67 0.01 0.00 -1.74 0.00 0.00 39.64 37.72 1ps5 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ps5 h THR 89 N 0.00 0.16 -0.04 7.28 2.02 -1.93 0.09 112.91 120.49 1ps5 h THR 89 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1ps5 h THR 89 Cb 0.07 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1ps5 h THR 89 CO 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.86 1ps5 h ALA 90 N 0.99 0.00 -0.73 6.16 0.00 -1.82 0.06 119.26 123.93 1ps5 h ALA 90 Ca 0.24 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1ps5 h ALA 90 Cb 0.55 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1ps5 h ALA 90 CO -0.70 -0.52 0.48 0.77 0.00 0.00 0.00 179.25 179.29 1ps5 h SER 91 N -0.04 0.84 0.08 0.00 0.02 -1.66 -0.24 113.55 112.55 1ps5 h SER 91 Ca 0.03 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ps5 h SER 91 Cb 0.08 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1ps5 h SER 91 CO -0.07 0.60 -0.04 0.58 -1.14 0.00 0.00 176.83 176.77 1ps5 h VAL 92 N 0.99 1.06 -0.38 2.27 2.07 -0.75 0.67 116.25 122.17 1ps5 h VAL 92 Ca 0.27 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1ps5 h VAL 92 Cb -0.11 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1ps5 h VAL 92 CO -0.06 0.12 0.05 0.78 0.02 0.00 0.00 177.57 178.48 1ps5 h ASN 93 N -0.34 0.54 -0.27 0.57 2.35 -0.85 0.98 115.58 118.56 1ps5 h ASN 93 Ca -0.01 -0.09 -0.19 0.00 -0.55 0.00 0.00 56.30 55.46 1ps5 h ASN 93 Cb 0.29 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1ps5 h ASN 93 CO 0.02 0.58 -0.56 0.00 -1.65 0.00 0.00 177.43 175.81 1ps5 h ALA 95 N 0.66 1.34 -0.90 0.00 0.00 -0.34 -1.60 119.26 118.41 1ps5 h ALA 95 Ca 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1ps5 h ALA 95 Cb 1.17 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1ps5 h ALA 95 CO 0.12 0.47 0.49 0.87 0.00 0.00 0.00 179.25 181.21 1ps5 h LYS 96 N 0.66 1.25 -0.42 0.00 1.57 -0.64 0.26 116.57 119.26 1ps5 h LYS 96 Ca 0.15 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1ps5 h LYS 96 Cb 0.26 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1ps5 h LYS 96 CO -0.00 0.92 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.41 1ps5 h LYS 97 N 1.26 0.79 -0.19 3.15 3.64 -1.08 -1.98 116.57 122.15 1ps5 h LYS 97 Ca 0.32 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1ps5 h LYS 97 Cb 0.03 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1ps5 h LYS 97 CO -0.05 0.90 -0.09 0.82 -2.27 0.00 0.00 179.45 178.76 1ps5 h ILE 98 N 0.70 1.31 0.00 2.00 2.04 -0.55 -3.20 117.51 119.81 1ps5 h ILE 98 Ca 0.11 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 1ps5 h ILE 98 Cb 0.67 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1ps5 h ILE 98 CO 0.05 0.34 -0.03 1.62 0.00 0.00 0.00 178.15 180.13 1ps5 h VAL 99 N 0.09 0.06 -0.62 1.67 3.04 -0.97 -3.32 116.25 116.20 1ps5 h VAL 99 Ca 0.04 -0.81 0.17 0.00 -1.01 0.00 0.00 66.70 65.09 1ps5 h VAL 99 Cb 0.57 1.77 -0.03 0.00 -2.01 0.00 0.00 31.29 31.59 1ps5 h VAL 99 CO 0.03 0.03 0.44 0.28 -1.01 0.00 0.00 177.57 177.34 1ps5 h SER 100 N 0.00 0.07 0.00 3.17 0.02 -1.34 -3.37 113.55 112.10 1ps5 h SER 100 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ps5 h SER 100 Cb 0.77 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1ps5 h SER 100 CO 0.00 0.04 0.00 -0.90 -1.14 0.00 0.00 176.83 174.83 1ps5 n ASP 101 N -4.38 0.64 0.00 3.07 3.85 -1.25 -4.98 116.55 113.50 1ps5 n ASP 101 Ca 0.12 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.20 1ps5 n ASP 101 Cb 0.64 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.41 1ps5 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ps5 n GLY 102 N 0.00 3.98 1.84 6.12 0.00 -1.26 -2.02 105.19 113.84 1ps5 n GLY 102 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1ps5 n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ps5 n ASN 103 N 7.03 4.61 0.00 1.61 0.23 -1.26 -5.09 115.26 122.39 1ps5 n ASN 103 Ca 0.00 -3.77 0.00 0.00 -0.53 0.00 0.00 54.58 50.28 1ps5 n ASN 103 Cb 0.00 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.29 1ps5 n ASN 103 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ps5 n GLY 104 N -0.78 2.59 0.00 4.83 0.00 -0.86 -1.76 105.19 109.21 1ps5 n GLY 104 Ca 0.42 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1ps5 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ps5 n MET 105 N 12.67 0.61 0.00 1.61 2.81 -1.26 -2.60 117.12 130.97 1ps5 n MET 105 Ca 0.00 0.02 0.05 0.00 -1.81 0.00 0.00 57.70 55.96 1ps5 n MET 105 Cb 0.00 -1.50 0.24 0.00 -0.71 0.00 0.00 33.22 31.25 1ps5 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ps5 n ASN 106 N -1.07 0.00 0.25 7.83 3.02 -0.72 -1.38 115.26 123.19 1ps5 n ASN 106 Ca 0.15 0.35 0.13 0.00 -0.03 0.00 0.00 54.58 55.18 1ps5 n ASN 106 Cb 0.10 -0.41 0.60 0.00 -0.61 0.00 0.00 39.78 39.46 1ps5 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ps5 h ALA 107 N 2.41 1.06 -2.37 5.41 0.00 -1.66 -3.40 119.26 120.71 1ps5 h ALA 107 Ca 0.00 -0.12 -0.73 0.00 0.00 0.00 0.00 54.91 54.06 1ps5 h ALA 107 Cb 0.14 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 17.70 1ps5 h ALA 107 CO 0.00 0.16 -0.35 -1.58 0.00 0.00 0.00 179.25 177.48 1ps5 s TRP 108 N -3.76 3.24 0.23 0.00 0.51 -0.48 -4.97 118.94 113.71 1ps5 s TRP 108 Ca -0.00 -0.79 -0.06 0.00 -2.12 0.00 0.00 56.10 53.13 1ps5 s TRP 108 Cb 0.10 -2.97 0.41 0.00 -0.81 0.00 0.00 33.47 30.20 1ps5 s TRP 108 CO 0.59 -0.73 1.71 0.28 -0.51 0.00 0.00 176.95 178.30 1ps5 h VAL 109 N 5.71 0.62 -0.40 4.03 2.07 -1.85 -0.52 116.25 125.91 1ps5 h VAL 109 Ca -0.28 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1ps5 h VAL 109 Cb 1.11 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1ps5 h VAL 109 CO 0.83 0.06 0.00 0.00 0.02 0.00 0.00 177.57 178.48 1ps5 h ALA 110 N 1.54 1.25 -0.55 1.67 0.00 -1.93 -0.96 119.26 120.28 1ps5 h ALA 110 Ca 0.39 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1ps5 h ALA 110 Cb 0.60 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1ps5 h ALA 110 CO -0.42 0.50 -0.01 2.35 0.00 0.00 0.00 179.25 181.67 1ps5 h TRP 111 N 0.61 1.07 0.00 0.00 7.01 -1.46 0.13 115.95 123.32 1ps5 h TRP 111 Ca 0.13 -0.19 -0.06 0.00 2.11 0.00 0.00 58.89 60.87 1ps5 h TRP 111 Cb 0.38 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 1ps5 h TRP 111 CO 0.02 0.97 -0.31 -0.09 -2.79 0.00 0.00 178.44 176.24 1ps5 h ARG 112 N 0.86 0.00 0.00 2.65 2.43 -0.63 0.21 114.38 119.90 1ps5 h ARG 112 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1ps5 h ARG 112 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1ps5 h ARG 112 CO 0.03 0.31 -1.26 0.09 -1.51 0.00 0.00 179.97 177.63 1ps5 n ASN 113 N -3.89 0.86 0.00 -3.80 3.02 -0.41 -4.46 115.26 106.58 1ps5 n ASN 113 Ca -0.02 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1ps5 n ASN 113 Cb 0.38 1.36 0.00 0.00 -0.61 0.00 0.00 39.78 40.91 1ps5 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ps5 n ARG 114 N -1.72 4.02 0.00 3.52 5.12 0.02 -4.92 116.66 122.68 1ps5 n ARG 114 Ca 0.00 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 1ps5 n ARG 114 Cb 0.36 -0.35 0.00 0.00 -1.16 0.00 0.00 32.46 31.31 1ps5 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ps5 n LYS 116 N -2.87 2.01 -0.64 0.00 4.81 0.57 -1.45 118.16 120.60 1ps5 n LYS 116 Ca 0.00 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1ps5 n LYS 116 Cb 0.47 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.97 1ps5 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ps5 n GLY 117 N 4.32 0.64 3.49 3.14 0.00 -1.26 -4.91 105.19 110.62 1ps5 n GLY 117 Ca 0.23 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1ps5 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ps5 s THR 118 N -2.00 1.35 -0.66 2.61 -4.23 -0.53 -5.01 115.64 107.17 1ps5 s THR 118 Ca 0.00 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.30 1ps5 s THR 118 Cb 0.00 -2.82 -0.18 0.00 1.34 0.00 0.00 72.50 70.84 1ps5 s THR 118 CO 0.00 0.00 1.88 -0.67 -0.54 0.00 0.00 174.62 175.29 1ps5 n ASP 119 N -0.77 2.46 0.20 3.99 2.03 -1.26 -4.58 116.55 118.62 1ps5 n ASP 119 Ca -0.03 -2.61 0.17 0.00 0.52 0.00 0.00 54.79 52.84 1ps5 n ASP 119 Cb 0.67 -1.02 0.83 0.00 -0.72 0.00 0.00 41.12 40.88 1ps5 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1ps5 h VAL 120 N 4.44 0.45 -0.09 5.18 -1.51 -1.92 0.07 116.25 122.88 1ps5 h VAL 120 Ca 0.40 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.89 1ps5 h VAL 120 Cb 0.61 0.83 -0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1ps5 h VAL 120 CO 1.91 0.00 0.09 1.56 -1.23 0.00 0.00 177.57 179.90 1ps5 h GLN 121 N 0.00 0.00 -0.14 5.19 7.50 -1.88 -2.47 115.11 123.30 1ps5 h GLN 121 Ca 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.23 1ps5 h GLN 121 Cb 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.04 1ps5 h GLN 121 CO -0.00 0.00 0.04 0.00 -1.50 0.00 0.00 178.83 177.37 1ps5 h ALA 122 N 1.89 1.80 0.00 3.87 0.00 -1.36 -2.75 119.26 122.71 1ps5 h ALA 122 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ps5 h ALA 122 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ps5 h ALA 122 CO -0.00 0.16 0.00 0.91 0.00 0.00 0.00 179.25 180.32 1ps5 n TRP 123 N -4.45 0.28 0.36 0.00 7.02 -0.93 -1.68 117.44 118.03 1ps5 n TRP 123 Ca -0.01 0.13 0.05 0.00 -1.02 0.00 0.00 57.50 56.65 1ps5 n TRP 123 Cb 0.13 -0.71 -0.07 0.00 -2.42 0.00 0.00 31.31 28.24 1ps5 n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1ps5 n ILE 124 N -1.77 0.00 -1.65 -0.99 -5.35 -1.04 -4.77 119.36 103.78 1ps5 n ILE 124 Ca 0.01 -0.25 -0.44 0.00 -0.27 0.00 0.00 62.75 61.80 1ps5 n ILE 124 Cb 0.08 0.80 -0.02 0.00 -1.74 0.00 0.00 39.64 38.76 1ps5 n ILE 124 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1ps5 n ARG 125 N -1.42 1.83 -0.88 6.28 5.12 -0.68 -1.32 116.66 125.59 1ps5 n ARG 125 Ca 0.01 0.64 0.00 0.00 -1.93 0.00 0.00 57.85 56.57 1ps5 n ARG 125 Cb 0.20 -2.18 0.00 0.00 -1.16 0.00 0.00 32.46 29.31 1ps5 n ARG 125 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ps5 n GLY 126 N 1.35 0.40 3.83 -0.13 0.00 -1.26 -4.99 105.19 104.39 1ps5 n GLY 126 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1ps5 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ps5 n ARG 128 N -0.12 3.65 0.00 0.00 1.74 -1.26 -5.13 116.66 115.54 1ps5 n ARG 128 Ca 0.03 -4.02 0.13 0.00 -0.77 0.00 0.00 57.85 53.22 1ps5 n ARG 128 Cb 0.53 -2.82 0.74 0.00 -1.02 0.00 0.00 32.46 29.89 1ps5 n ARG 128 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39