#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpi n ASN 2 N 0.00 0.00 -3.93 7.83 3.02 -1.26 -5.16 115.26 115.76 2rpi n ASN 2 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.29 2rpi n ASN 2 Cb 0.00 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.25 2rpi n ASN 2 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2rpi n PRO 3 N -0.73 -0.83 -0.00 3.52 -0.02 -1.26 -4.94 135.00 130.74 2rpi n PRO 3 Ca 0.00 -0.24 -0.18 0.00 -2.02 0.00 0.00 63.50 61.06 2rpi n PRO 3 Cb 0.00 -1.25 -0.14 0.00 -0.02 0.00 0.00 33.50 32.09 2rpi n PRO 3 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2rpi h SER 4 N -1.77 0.28 0.00 2.55 0.87 -2.01 -3.41 113.55 110.06 2rpi h SER 4 Ca -0.32 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.31 2rpi h SER 4 Cb 1.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2rpi h SER 4 CO 0.20 1.30 0.00 -2.65 -0.53 0.00 0.00 176.83 175.14 2rpi n PRO 5 N -4.27 0.00 0.17 2.24 -0.02 -1.26 -4.89 135.00 126.97 2rpi n PRO 5 Ca -0.15 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2rpi n PRO 5 Cb 0.71 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 33.32 2rpi n PRO 5 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2rpi n ARG 6 N -0.61 0.00 -3.15 -0.52 1.74 -1.26 -5.10 116.66 107.76 2rpi n ARG 6 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 2rpi n ARG 6 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2rpi n ARG 6 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2rpi s LYS 7 N -2.00 0.09 -0.17 5.56 2.20 -1.26 -4.70 119.74 119.46 2rpi s LYS 7 Ca 0.00 0.10 -0.29 0.00 -0.36 0.00 0.00 55.97 55.41 2rpi s LYS 7 Cb 0.00 0.05 -0.01 0.00 -1.51 0.00 0.00 37.83 36.36 2rpi s LYS 7 CO 0.00 -0.16 1.14 0.50 -0.36 0.00 0.00 175.35 176.47 2rpi s ARG 8 N 2.97 4.28 -0.14 4.03 3.52 -1.26 -1.83 118.95 130.53 2rpi s ARG 8 Ca 0.26 1.51 -0.03 0.00 -0.13 0.00 0.00 55.73 57.34 2rpi s ARG 8 Cb -0.02 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 2rpi s ARG 8 CO -0.21 -0.60 -0.02 0.08 -0.81 0.00 0.00 175.30 173.74 2rpi s VAL 9 N 3.04 4.03 -1.08 7.11 1.01 -0.55 -4.94 120.40 129.02 2rpi s VAL 9 Ca 0.50 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 2rpi s VAL 9 Cb -0.19 -2.75 0.20 0.00 0.00 0.00 0.00 36.38 33.64 2rpi s VAL 9 CO 0.13 0.52 1.21 0.00 0.00 0.00 0.00 175.10 176.95 2rpi s ALA 10 N 0.06 4.08 -0.33 5.51 0.00 -1.26 0.13 121.76 129.96 2rpi s ALA 10 Ca 0.01 -3.37 -0.14 0.00 0.00 0.00 0.00 51.96 48.46 2rpi s ALA 10 Cb -0.13 -3.89 -0.02 0.00 0.00 0.00 0.00 23.12 19.08 2rpi s ALA 10 CO 0.02 -2.60 0.31 -1.17 0.00 0.00 0.00 175.76 172.32 2rpi s LEU 11 N 0.87 4.40 -0.48 0.00 0.20 -1.22 -4.99 118.68 117.47 2rpi s LEU 11 Ca 0.35 -0.23 -0.18 0.00 0.69 0.00 0.00 54.13 54.75 2rpi s LEU 11 Cb -0.06 -2.26 0.05 0.00 -0.43 0.00 0.00 46.19 43.49 2rpi s LEU 11 CO -0.05 -0.27 0.53 -0.36 -0.29 0.00 0.00 176.35 175.91 2rpi s PHE 12 N 1.90 3.13 -1.05 5.38 0.08 -1.26 -0.72 117.98 125.43 2rpi s PHE 12 Ca 0.10 -0.61 -0.26 0.00 0.12 0.00 0.00 56.93 56.28 2rpi s PHE 12 Cb -0.17 -3.32 -0.18 0.00 -0.57 0.00 0.00 43.02 38.79 2rpi s PHE 12 CO 0.11 -0.90 2.12 0.95 -0.10 0.00 0.00 175.22 177.40 2rpi s THR 13 N 2.27 3.14 -0.63 0.64 -4.23 -0.40 -4.69 115.64 111.73 2rpi s THR 13 Ca 0.12 -0.22 0.03 0.00 -1.18 0.00 0.00 61.69 60.44 2rpi s THR 13 Cb -0.20 -3.95 0.37 0.00 1.34 0.00 0.00 72.50 70.05 2rpi s THR 13 CO 0.11 -0.26 1.31 -0.90 -0.54 0.00 0.00 174.62 174.33 2rpi n ASP 14 N 18.35 5.47 0.00 3.99 5.75 -1.26 -4.65 116.55 144.20 2rpi n ASP 14 Ca 0.43 -3.73 0.00 0.00 -0.01 0.00 0.00 54.79 51.48 2rpi n ASP 14 Cb 0.46 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 2rpi n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rpi n GLY 15 N -0.36 0.00 0.56 6.12 0.00 -1.26 -4.94 105.19 105.31 2rpi n GLY 15 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2rpi n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rpi n ALA 16 N -2.14 0.00 -1.66 4.61 0.00 -1.26 -5.03 120.51 115.02 2rpi n ALA 16 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2rpi n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2rpi n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rpi n ALA 17 N -2.56 -3.05 -0.42 0.00 0.00 -1.26 -5.03 120.51 108.20 2rpi n ALA 17 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2rpi n ALA 17 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.21 2rpi n ALA 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2rpi n LEU 18 N -0.08 0.00 -4.40 0.00 -0.00 -1.26 -4.73 117.00 106.52 2rpi n LEU 18 Ca 0.00 -0.06 -0.36 0.00 -0.00 0.00 0.00 56.01 55.60 2rpi n LEU 18 Cb 0.02 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.51 2rpi n LEU 18 CO 0.06 0.35 -0.13 0.61 -0.00 0.00 0.00 177.39 178.28 2rpi n GLY 19 N 0.00 -1.98 0.32 1.47 0.00 -1.26 -4.70 105.19 99.03 2rpi n GLY 19 Ca 0.00 -0.44 0.11 0.00 0.00 0.00 0.00 46.02 45.69 2rpi n GLY 19 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2rpi h ASN 20 N -0.52 -0.37 0.18 1.61 -0.73 -2.03 0.44 115.58 114.15 2rpi h ASN 20 Ca -0.45 0.24 -0.01 0.00 1.87 0.00 0.00 56.30 57.95 2rpi h ASN 20 Cb 1.35 0.41 0.00 0.00 0.27 0.00 0.00 38.32 40.35 2rpi h ASN 20 CO 0.40 -0.26 -0.09 -0.65 -0.37 0.00 0.00 177.43 176.46 2rpi h PRO 21 N 0.07 -0.23 0.00 6.67 0.11 -2.04 -3.50 132.00 133.08 2rpi h PRO 21 Ca 0.53 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.65 2rpi h PRO 21 Cb 1.03 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2rpi h PRO 21 CO -0.80 -0.03 0.00 0.41 -0.21 0.00 0.00 178.00 177.37 2rpi n GLY 22 N -0.78 2.84 0.12 -0.55 0.00 0.15 -4.79 105.19 102.19 2rpi n GLY 22 Ca -0.09 -1.97 0.05 0.00 0.00 0.00 0.00 46.02 44.02 2rpi n GLY 22 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rpi n PRO 23 N -1.44 0.07 0.14 1.61 -0.02 -1.26 -3.27 135.00 130.83 2rpi n PRO 23 Ca 0.00 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2rpi n PRO 23 Cb 0.00 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2rpi n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rpi n GLY 24 N -1.29 -0.21 0.00 -1.23 0.00 -1.26 -3.56 105.19 97.64 2rpi n GLY 24 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2rpi n GLY 24 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rpi n THR 25 N -1.46 0.00 0.08 2.61 -2.24 -1.23 -5.00 114.28 107.04 2rpi n THR 25 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 2rpi n THR 25 Cb 0.59 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 2rpi n THR 25 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2rpi h THR 26 N 0.00 1.44 -0.53 4.28 1.35 -1.60 -2.35 112.91 115.50 2rpi h THR 26 Ca 0.00 -2.51 0.01 0.00 -0.55 0.00 0.00 66.41 63.36 2rpi h THR 26 Cb 0.00 2.43 -0.03 0.00 -1.73 0.00 0.00 68.15 68.82 2rpi h THR 26 CO 0.00 0.74 0.35 -1.13 -0.25 0.00 0.00 175.52 175.23 2rpi h ASN 27 N 0.17 0.59 -0.54 5.36 -0.00 -1.79 1.98 115.58 121.35 2rpi h ASN 27 Ca -0.06 -0.01 -0.04 0.00 -0.00 0.00 0.00 56.30 56.19 2rpi h ASN 27 Cb 1.53 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 39.68 2rpi h ASN 27 CO 0.15 0.43 0.17 0.78 -0.00 0.00 0.00 177.43 178.96 2rpi h ASN 28 N 0.70 0.78 -0.45 1.15 2.35 -1.83 0.72 115.58 119.01 2rpi h ASN 28 Ca 0.20 -0.20 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 2rpi h ASN 28 Cb -0.06 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 2rpi h ASN 28 CO -0.05 0.78 -0.10 -0.09 -1.65 0.00 0.00 177.43 176.31 2rpi h ARG 29 N 0.75 0.91 -0.50 0.81 2.43 -0.78 0.35 114.38 118.34 2rpi h ARG 29 Ca 0.17 -0.32 -0.10 0.00 -0.81 0.00 0.00 59.98 58.93 2rpi h ARG 29 Cb 0.27 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2rpi h ARG 29 CO -0.01 0.97 -0.07 0.52 -1.51 0.00 0.00 179.97 179.87 2rpi h MET 30 N 0.82 0.93 -0.13 0.20 2.86 0.37 1.44 114.93 121.42 2rpi h MET 30 Ca 0.13 -0.33 -0.07 0.00 -2.06 0.00 0.00 59.70 57.37 2rpi h MET 30 Cb 0.63 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 2rpi h MET 30 CO 0.04 0.99 -0.26 0.93 1.06 0.00 0.00 176.91 179.67 2rpi h GLU 31 N 0.79 0.22 -0.16 1.72 5.08 0.75 0.17 114.58 123.15 2rpi h GLU 31 Ca 0.13 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.21 2rpi h GLU 31 Cb 0.61 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2rpi h GLU 31 CO 0.04 0.47 -0.71 1.25 -1.00 0.00 0.00 179.01 179.06 2rpi h LEU 32 N 0.20 0.83 -0.41 1.33 5.85 0.55 -1.71 115.31 121.95 2rpi h LEU 32 Ca 0.03 -0.52 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 2rpi h LEU 32 Cb 0.57 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2rpi h LEU 32 CO 0.04 1.30 0.22 0.50 -0.34 0.00 0.00 178.44 180.17 2rpi h LYS 33 N 0.50 0.58 0.00 1.25 3.11 0.29 -1.26 116.57 121.04 2rpi h LYS 33 Ca -0.03 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.70 2rpi h LYS 33 Cb 1.32 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.43 2rpi h LYS 33 CO 0.14 0.47 -0.21 0.00 -2.81 0.00 0.00 179.45 177.04 2rpi h ALA 34 N 1.08 1.55 0.62 5.00 0.00 -0.65 -2.38 119.26 124.47 2rpi h ALA 34 Ca 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2rpi h ALA 34 Cb 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2rpi h ALA 34 CO -0.02 0.26 -0.30 0.00 0.00 0.00 0.00 179.25 179.19 2rpi h ALA 35 N 1.79 -0.83 -0.93 0.00 0.00 -0.31 1.60 119.26 120.59 2rpi h ALA 35 Ca -0.00 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.89 2rpi h ALA 35 Cb 0.39 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.40 2rpi h ALA 35 CO 0.03 -0.80 0.51 -0.84 0.00 0.00 0.00 179.25 178.14 2rpi h ILE 36 N -1.16 0.67 -0.29 0.00 3.07 -1.21 0.44 117.51 119.04 2rpi h ILE 36 Ca -0.08 -0.22 -0.17 0.00 1.55 0.00 0.00 64.86 65.94 2rpi h ILE 36 Cb 0.67 -0.03 -0.00 0.00 -0.27 0.00 0.00 36.82 37.18 2rpi h ILE 36 CO 0.14 0.12 -0.49 -0.33 -1.05 0.00 0.00 178.15 176.54 2rpi h GLU 37 N 0.65 0.78 0.00 0.16 4.39 -1.32 1.05 114.58 120.30 2rpi h GLU 37 Ca 0.53 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2rpi h GLU 37 Cb 0.84 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2rpi h GLU 37 CO -0.40 1.09 0.00 0.41 -1.16 0.00 0.00 179.01 178.95 2rpi n GLY 38 N 0.24 -0.77 0.00 -3.84 0.00 0.55 0.14 105.19 101.49 2rpi n GLY 38 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2rpi n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rpi n LEU 39 N -1.25 0.00 -0.07 0.99 4.77 0.23 -4.67 117.00 117.00 2rpi n LEU 39 Ca 0.08 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.01 2rpi n LEU 39 Cb 0.12 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.05 2rpi n LEU 39 CO 0.12 0.00 -1.02 1.17 -1.33 0.00 0.00 177.39 176.33 2rpi n LYS 40 N -1.25 0.68 -0.08 3.23 4.81 0.36 -3.60 118.16 122.31 2rpi n LYS 40 Ca 0.00 -0.03 0.05 0.00 -0.87 0.00 0.00 58.31 57.47 2rpi n LYS 40 Cb 0.06 -1.54 0.21 0.00 0.02 0.00 0.00 35.03 33.78 2rpi n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rpi n ALA 41 N -2.63 2.50 0.02 3.14 0.00 0.36 -4.13 120.51 119.77 2rpi n ALA 41 Ca -0.25 -0.34 -0.02 0.00 0.00 0.00 0.00 53.44 52.83 2rpi n ALA 41 Cb 1.02 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.42 2rpi n ALA 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rpi n LEU 42 N -0.01 0.83 -1.63 0.00 4.77 -1.26 -5.00 117.00 114.71 2rpi n LEU 42 Ca 0.09 0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 55.98 2rpi n LEU 42 Cb 0.18 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 2rpi n LEU 42 CO 0.07 -0.43 -0.20 0.29 -1.33 0.00 0.00 177.39 175.79 2rpi n LYS 43 N -3.42 -1.44 -3.56 3.23 5.02 -1.24 -4.93 118.16 111.83 2rpi n LYS 43 Ca -0.03 1.20 -0.41 0.00 -2.02 0.00 0.00 58.31 57.05 2rpi n LYS 43 Cb 0.23 -5.59 -0.07 0.00 -0.02 0.00 0.00 35.03 29.58 2rpi n LYS 43 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2rpi s GLU 44 N -3.84 2.73 -0.94 1.97 0.41 -1.26 -5.03 118.70 112.75 2rpi s GLU 44 Ca 0.00 -2.15 -0.31 0.00 -0.41 0.00 0.00 54.97 52.10 2rpi s GLU 44 Cb 0.00 -3.97 -0.21 0.00 -1.78 0.00 0.00 34.13 28.18 2rpi s GLU 44 CO 0.00 -1.21 2.66 -2.30 -0.49 0.00 0.00 175.26 173.93 2rpi n PRO 45 N 4.26 0.10 -4.04 0.39 -0.02 -1.26 -4.86 135.00 129.56 2rpi n PRO 45 Ca 0.02 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.42 2rpi n PRO 45 Cb 0.41 -1.68 -0.09 0.00 -0.02 0.00 0.00 33.50 32.12 2rpi n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rpi s ALA 46 N 9.23 0.37 -1.19 3.55 0.00 -1.26 -4.51 121.76 127.95 2rpi s ALA 46 Ca 1.32 -1.10 -0.15 0.00 0.00 0.00 0.00 51.96 52.03 2rpi s ALA 46 Cb -1.17 0.34 0.15 0.00 0.00 0.00 0.00 23.12 22.44 2rpi s ALA 46 CO 0.47 -0.40 1.46 -1.21 0.00 0.00 0.00 175.76 176.08 2rpi s GLU 47 N -3.91 4.01 -0.44 0.00 2.02 -0.76 -3.20 118.70 116.41 2rpi s GLU 47 Ca 0.07 -2.35 -0.29 0.00 0.02 0.00 0.00 54.97 52.42 2rpi s GLU 47 Cb 0.07 -5.14 0.02 0.00 0.10 0.00 0.00 34.13 29.19 2rpi s GLU 47 CO -0.10 -1.87 1.18 0.08 0.02 0.00 0.00 175.26 174.57 2rpi s VAL 48 N 2.27 4.19 -1.28 2.63 1.01 -1.26 -1.48 120.40 126.47 2rpi s VAL 48 Ca 0.44 1.24 -0.16 0.00 0.00 0.00 0.00 61.98 63.50 2rpi s VAL 48 Cb -0.02 -4.51 -0.01 0.00 0.00 0.00 0.00 36.38 31.84 2rpi s VAL 48 CO 0.00 -0.90 2.13 -0.67 0.00 0.00 0.00 175.10 175.67 2rpi n ASP 49 N 7.87 3.58 -4.58 3.32 -0.08 0.35 -0.76 116.55 126.26 2rpi n ASP 49 Ca 0.13 -2.80 -0.40 0.00 -1.51 0.00 0.00 54.79 50.20 2rpi n ASP 49 Cb 0.49 -1.53 -0.03 0.00 2.34 0.00 0.00 41.12 42.38 2rpi n ASP 49 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2rpi s LEU 50 N 2.16 3.42 -0.49 -2.67 0.20 -0.80 -3.40 118.68 117.10 2rpi s LEU 50 Ca 0.50 1.15 -0.23 0.00 0.69 0.00 0.00 54.13 56.24 2rpi s LEU 50 Cb 0.13 -3.02 0.04 0.00 -0.43 0.00 0.00 46.19 42.91 2rpi s LEU 50 CO -0.03 -2.23 0.82 -0.31 -0.29 0.00 0.00 176.35 174.31 2rpi s TYR 51 N 9.10 2.93 -0.26 5.38 2.02 0.10 -1.58 117.35 135.04 2rpi s TYR 51 Ca 0.86 0.00 0.01 0.00 -0.37 0.00 0.00 57.07 57.57 2rpi s TYR 51 Cb -0.21 -3.78 0.05 0.00 -0.40 0.00 0.00 41.96 37.61 2rpi s TYR 51 CO 0.29 -1.12 -0.09 -0.08 -1.57 0.00 0.00 175.55 172.98 2rpi s THR 52 N 3.42 2.43 -0.57 -0.71 -1.32 -0.87 -1.28 115.64 116.75 2rpi s THR 52 Ca 0.28 -1.40 -0.02 0.00 -1.21 0.00 0.00 61.69 59.34 2rpi s THR 52 Cb -0.13 -2.34 0.36 0.00 -1.51 0.00 0.00 72.50 68.87 2rpi s THR 52 CO 0.20 0.06 2.06 -0.90 -2.21 0.00 0.00 174.62 173.83 2rpi n ASP 53 N 4.53 7.30 -4.93 8.08 5.75 -1.26 -3.59 116.55 132.44 2rpi n ASP 53 Ca -0.15 -3.56 -0.23 0.00 -0.01 0.00 0.00 54.79 50.84 2rpi n ASP 53 Cb 0.44 -1.02 -0.03 0.00 -1.03 0.00 0.00 41.12 39.48 2rpi n ASP 53 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2rpi s SER 54 N -1.12 6.13 0.00 -1.12 0.01 -1.26 -4.92 113.70 111.42 2rpi s SER 54 Ca 0.54 0.02 0.21 0.00 1.31 0.00 0.00 55.95 58.03 2rpi s SER 54 Cb 0.42 -1.76 0.54 0.00 0.21 0.00 0.00 66.02 65.43 2rpi s SER 54 CO -0.04 -0.03 1.45 1.41 0.41 0.00 0.00 173.24 176.44 2rpi n HIS 55 N -1.08 0.47 -0.05 2.43 8.25 -1.26 -3.64 115.22 120.33 2rpi n HIS 55 Ca -0.08 -0.24 -0.10 0.00 -0.26 0.00 0.00 57.72 57.04 2rpi n HIS 55 Cb 0.56 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.63 2rpi n HIS 55 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2rpi n TYR 56 N 1.06 0.00 -0.22 4.41 9.36 -1.26 -3.95 117.16 126.56 2rpi n TYR 56 Ca 0.18 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.33 2rpi n TYR 56 Cb 0.49 -0.37 0.03 0.00 -0.63 0.00 0.00 39.34 38.87 2rpi n TYR 56 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2rpi h LEU 57 N -0.29 0.83 0.45 2.98 4.07 -1.93 -1.36 115.31 120.07 2rpi h LEU 57 Ca -0.25 -0.17 -0.02 0.00 0.08 0.00 0.00 57.88 57.52 2rpi h LEU 57 Cb 1.25 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.78 2rpi h LEU 57 CO -0.13 0.77 -0.22 0.50 -1.08 0.00 0.00 178.44 178.28 2rpi h LYS 58 N 0.84 -0.58 -0.99 1.13 3.64 -1.83 -2.61 116.57 116.17 2rpi h LYS 58 Ca 0.20 0.04 0.36 0.00 -1.27 0.00 0.00 60.65 59.98 2rpi h LYS 58 Cb 0.19 0.13 -0.17 0.00 -0.41 0.00 0.00 32.23 31.97 2rpi h LYS 58 CO -0.02 -0.38 0.38 -0.22 -2.27 0.00 0.00 179.45 176.95 2rpi h LYS 59 N -1.15 0.05 0.00 1.90 3.64 -1.68 0.51 116.57 119.84 2rpi h LYS 59 Ca -0.06 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2rpi h LYS 59 Cb 0.47 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2rpi h LYS 59 CO 0.10 0.03 0.00 0.00 -2.27 0.00 0.00 179.45 177.32 2rpi n ALA 60 N -2.53 -0.09 -0.31 5.00 0.00 -0.52 -3.14 120.51 118.92 2rpi n ALA 60 Ca 0.32 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.91 2rpi n ALA 60 Cb 1.07 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.85 2rpi n ALA 60 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2rpi h PHE 61 N 0.00 0.70 0.00 0.00 3.04 -1.06 0.35 116.94 119.97 2rpi h PHE 61 Ca 0.00 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 2rpi h PHE 61 Cb 0.00 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.35 2rpi h PHE 61 CO 0.04 -0.06 -0.00 1.79 -2.02 0.00 0.00 178.31 178.05 2rpi h THR 62 N 0.39 0.02 0.00 4.41 1.35 -0.12 0.27 112.91 119.23 2rpi h THR 62 Ca 0.59 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 66.40 2rpi h THR 62 Cb 1.16 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2rpi h THR 62 CO -0.54 0.00 -0.29 -0.62 -0.25 0.00 0.00 175.52 173.82 2rpi n GLU 63 N -3.11 0.05 -0.35 4.72 1.02 0.12 -4.88 120.64 118.21 2rpi n GLU 63 Ca -0.03 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2rpi n GLU 63 Cb 0.09 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 2rpi n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rpi n GLY 64 N 1.47 0.00 0.26 0.62 0.00 0.94 -4.64 105.19 103.83 2rpi n GLY 64 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 2rpi n GLY 64 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2rpi n TRP 65 N -0.69 0.18 0.30 1.61 -0.00 -1.26 -3.62 117.44 113.97 2rpi n TRP 65 Ca 0.00 -0.09 0.17 0.00 -0.00 0.00 0.00 57.50 57.58 2rpi n TRP 65 Cb 0.11 0.00 0.97 0.00 -0.00 0.00 0.00 31.31 32.40 2rpi n TRP 65 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 2rpi h LEU 66 N 0.85 0.00 -0.10 5.67 6.46 -1.83 0.32 115.31 126.67 2rpi h LEU 66 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2rpi h LEU 66 Cb 0.19 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 2rpi h LEU 66 CO 0.00 0.02 0.02 -0.08 -0.62 0.00 0.00 178.44 177.78 2rpi h GLU 67 N 0.00 0.17 -0.65 1.25 4.81 -1.96 -2.57 114.58 115.63 2rpi h GLU 67 Ca -0.00 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.26 2rpi h GLU 67 Cb 0.06 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.36 2rpi h GLU 67 CO 0.00 0.36 0.33 0.78 -0.73 0.00 0.00 179.01 179.76 2rpi h GLY 68 N -0.05 0.95 -0.70 1.92 0.00 -0.70 -1.23 103.07 103.27 2rpi h GLY 68 Ca 0.03 -0.22 0.14 0.00 0.00 0.00 0.00 47.33 47.28 2rpi h GLY 68 CO 0.00 0.10 -0.32 1.49 0.00 0.00 0.00 176.54 177.82 2rpi h TRP 69 N 0.60 -0.84 -0.86 5.60 4.06 -0.82 1.72 115.95 125.42 2rpi h TRP 69 Ca 0.30 0.08 0.08 0.00 2.06 0.00 0.00 58.89 61.41 2rpi h TRP 69 Cb 0.25 0.49 -0.07 0.00 -1.00 0.00 0.00 29.16 28.83 2rpi h TRP 69 CO -0.10 -0.38 0.52 0.00 -3.56 0.00 0.00 178.44 174.91 2rpi h ARG 70 N -0.06 0.89 -0.00 0.49 3.08 -0.98 0.28 114.38 118.08 2rpi h ARG 70 Ca 0.32 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2rpi h ARG 70 Cb 0.59 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2rpi h ARG 70 CO -0.84 0.59 -0.00 1.63 -1.07 0.00 0.00 179.97 180.27 2rpi n LYS 71 N -4.66 0.13 -0.35 0.04 4.01 0.27 -3.00 118.16 114.60 2rpi n LYS 71 Ca 0.13 -0.00 0.10 0.00 -0.51 0.00 0.00 58.31 58.03 2rpi n LYS 71 Cb 0.22 -1.50 0.28 0.00 -0.51 0.00 0.00 35.03 33.52 2rpi n LYS 71 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2rpi n ARG 72 N -1.43 2.58 -0.71 1.97 1.74 0.52 -4.89 116.66 116.42 2rpi n ARG 72 Ca 0.09 -2.29 0.00 0.00 -0.77 0.00 0.00 57.85 54.88 2rpi n ARG 72 Cb 0.31 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2rpi n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rpi n GLY 73 N 1.44 0.00 2.05 -0.13 0.00 -0.98 -3.48 105.19 104.09 2rpi n GLY 73 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 2rpi n GLY 73 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2rpi n TRP 74 N -1.88 -1.61 -4.15 1.61 7.02 -0.90 -5.03 117.44 112.50 2rpi n TRP 74 Ca 0.00 0.68 -0.11 0.00 -1.02 0.00 0.00 57.50 57.05 2rpi n TRP 74 Cb 0.24 -2.60 -0.09 0.00 -2.42 0.00 0.00 31.31 26.44 2rpi n TRP 74 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2rpi s ARG 75 N -1.22 1.19 0.60 -0.99 3.00 -1.23 -3.74 118.95 116.57 2rpi s ARG 75 Ca 0.06 -1.52 -0.05 0.00 0.00 0.00 0.00 55.73 54.21 2rpi s ARG 75 Cb -0.02 0.30 0.02 0.00 0.00 0.00 0.00 34.95 35.25 2rpi s ARG 75 CO 0.33 -0.40 0.89 0.95 0.00 0.00 0.00 175.30 177.08 2rpi s THR 76 N -4.11 3.27 0.09 0.02 -4.23 0.27 -4.69 115.64 106.26 2rpi s THR 76 Ca 0.33 -0.17 0.14 0.00 -1.18 0.00 0.00 61.69 60.81 2rpi s THR 76 Cb 0.06 -3.31 0.14 0.00 1.34 0.00 0.00 72.50 70.73 2rpi s THR 76 CO 0.09 -0.30 1.32 0.00 -0.54 0.00 0.00 174.62 175.20 2rpi h ALA 77 N -0.20 1.23 0.09 3.99 0.00 -1.97 0.18 119.26 122.57 2rpi h ALA 77 Ca -0.45 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.14 2rpi h ALA 77 Cb 1.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2rpi h ALA 77 CO 0.59 -0.23 -1.77 1.49 0.00 0.00 0.00 179.25 179.34 2rpi h GLU 78 N 0.00 0.20 0.00 0.00 4.81 -2.00 -3.48 114.58 114.11 2rpi h GLU 78 Ca 0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2rpi h GLU 78 Cb 0.65 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2rpi h GLU 78 CO 0.00 1.16 0.00 0.41 -0.73 0.00 0.00 179.01 179.85 2rpi n GLY 79 N 1.82 -0.09 3.90 1.92 0.00 0.62 -5.14 105.19 108.22 2rpi n GLY 79 Ca -0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 2rpi n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rpi s LYS 80 N 0.00 3.52 0.92 1.61 -2.85 -1.26 -4.69 119.74 116.99 2rpi s LYS 80 Ca 0.00 -0.19 -0.17 0.00 -1.00 0.00 0.00 55.97 54.61 2rpi s LYS 80 Cb 0.00 -3.06 -0.14 0.00 -2.06 0.00 0.00 37.83 32.57 2rpi s LYS 80 CO 0.00 0.64 -0.66 -2.30 0.10 0.00 0.00 175.35 173.13 2rpi n PRO 81 N 0.89 -0.00 -3.23 1.78 -0.02 -1.26 0.97 135.00 134.12 2rpi n PRO 81 Ca -0.10 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.01 2rpi n PRO 81 Cb 0.52 -1.03 -0.06 0.00 -0.02 0.00 0.00 33.50 32.91 2rpi n PRO 81 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2rpi s VAL 82 N -2.01 4.70 0.30 -1.45 1.01 -1.25 -4.21 120.40 117.50 2rpi s VAL 82 Ca 0.43 1.16 -0.21 0.00 0.00 0.00 0.00 61.98 63.37 2rpi s VAL 82 Cb -0.23 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 2rpi s VAL 82 CO 0.80 0.38 0.82 -0.54 0.00 0.00 0.00 175.10 176.56 2rpi s LYS 83 N -1.56 4.28 0.00 2.72 -0.14 -1.26 -3.38 119.74 120.40 2rpi s LYS 83 Ca 0.35 0.98 0.00 0.00 -1.36 0.00 0.00 55.97 55.95 2rpi s LYS 83 Cb -0.18 -2.66 0.00 0.00 -1.68 0.00 0.00 37.83 33.31 2rpi s LYS 83 CO 0.20 0.25 0.00 0.09 -0.76 0.00 0.00 175.35 175.13 2rpi n ASN 84 N 0.25 -2.35 0.13 2.83 5.03 -1.26 -4.83 115.26 115.06 2rpi n ASN 84 Ca 0.01 0.00 0.16 0.00 0.87 0.00 0.00 54.58 55.62 2rpi n ASN 84 Cb 0.52 -1.61 0.48 0.00 -1.02 0.00 0.00 39.78 38.14 2rpi n ASN 84 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.26 175.51 2rpi h ARG 85 N 1.00 0.00 0.10 3.52 -0.00 -1.98 0.71 114.38 117.73 2rpi h ARG 85 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 59.98 59.73 2rpi h ARG 85 Cb 0.26 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.25 2rpi h ARG 85 CO 0.00 0.00 -1.03 0.22 -0.00 0.00 0.00 179.97 179.16 2rpi h ASP 86 N 0.00 0.73 -0.25 0.08 3.58 -1.88 0.27 116.42 118.95 2rpi h ASP 86 Ca 0.18 -0.83 -0.10 0.00 0.42 0.00 0.00 57.03 56.70 2rpi h ASP 86 Cb 1.74 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 42.56 2rpi h ASP 86 CO -0.00 1.49 -0.23 -0.07 -2.88 0.00 0.00 179.24 177.56 2rpi h LEU 87 N 0.07 0.62 0.71 2.28 3.38 -0.03 -2.38 115.31 119.96 2rpi h LEU 87 Ca -0.16 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.31 2rpi h LEU 87 Cb 1.74 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 42.32 2rpi h LEU 87 CO 0.20 0.96 -0.34 -0.50 0.09 0.00 0.00 178.44 178.85 2rpi h TRP 88 N 0.30 -0.88 -0.76 1.13 4.06 -1.14 0.81 115.95 119.46 2rpi h TRP 88 Ca 0.04 -0.02 0.22 0.00 2.06 0.00 0.00 58.89 61.19 2rpi h TRP 88 Cb 0.78 0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 29.20 2rpi h TRP 88 CO 0.07 -0.55 0.62 0.93 -3.56 0.00 0.00 178.44 175.96 2rpi h GLU 89 N -1.08 0.00 0.12 0.49 5.08 -1.02 1.49 114.58 119.67 2rpi h GLU 89 Ca -0.10 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.01 2rpi h GLU 89 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2rpi h GLU 89 CO 0.16 0.00 -1.24 0.00 -1.00 0.00 0.00 179.01 176.93 2rpi h ALA 90 N 1.47 0.10 -0.42 3.43 0.00 -1.21 -2.47 119.26 120.17 2rpi h ALA 90 Ca 0.36 -0.98 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 2rpi h ALA 90 Cb 1.60 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 2rpi h ALA 90 CO -0.00 0.70 0.11 1.25 0.00 0.00 0.00 179.25 181.30 2rpi h LEU 91 N -0.33 0.58 -0.31 0.00 6.46 0.32 0.50 115.31 122.52 2rpi h LEU 91 Ca -0.26 -0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.31 2rpi h LEU 91 Cb 1.72 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.50 2rpi h LEU 91 CO 0.08 0.57 -0.20 0.25 -0.62 0.00 0.00 178.44 178.52 2rpi h LEU 92 N 0.61 0.72 -0.78 2.25 5.85 0.19 0.38 115.31 124.53 2rpi h LEU 92 Ca 0.14 -0.43 -0.11 0.00 0.84 0.00 0.00 57.88 58.32 2rpi h LEU 92 Cb 0.22 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2rpi h LEU 92 CO -0.00 0.99 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.71 2rpi h LEU 93 N 0.44 0.58 -0.04 2.25 3.38 -0.93 -2.25 115.31 118.75 2rpi h LEU 93 Ca 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2rpi h LEU 93 Cb 0.75 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2rpi h LEU 93 CO 0.06 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.44 2rpi n ALA 94 N -2.49 2.25 1.27 1.53 0.00 0.17 -3.12 120.51 120.11 2rpi n ALA 94 Ca -0.01 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.53 2rpi n ALA 94 Cb 0.46 -1.46 0.33 0.00 0.00 0.00 0.00 19.45 18.77 2rpi n ALA 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2rpi n MET 95 N -2.08 1.81 -0.02 0.00 2.81 0.13 -4.29 117.12 115.48 2rpi n MET 95 Ca 0.06 -1.27 -0.13 0.00 -1.81 0.00 0.00 57.70 54.55 2rpi n MET 95 Cb 0.40 -1.47 -0.08 0.00 -0.71 0.00 0.00 33.22 31.35 2rpi n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2rpi h ALA 96 N 4.40 0.06 -0.42 3.04 0.00 -1.46 -3.23 119.26 121.66 2rpi h ALA 96 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2rpi h ALA 96 Cb 0.69 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2rpi h ALA 96 CO 0.00 -0.22 0.01 -1.35 0.00 0.00 0.00 179.25 177.69 2rpi h PRO 97 N -0.27 0.66 -6.72 0.00 0.11 -1.80 -3.44 132.00 120.54 2rpi h PRO 97 Ca 0.01 -0.15 -0.47 0.00 0.11 0.00 0.00 66.00 65.50 2rpi h PRO 97 Cb 0.41 -0.09 0.03 0.00 0.11 0.00 0.00 31.00 31.46 2rpi h PRO 97 CO 0.00 0.67 -0.07 -1.01 -0.21 0.00 0.00 178.00 177.39 2rpi s HIS 98 N -5.00 3.36 -2.62 0.65 3.76 -1.22 -4.57 115.29 109.64 2rpi s HIS 98 Ca -0.08 0.39 0.22 0.00 -0.15 0.00 0.00 55.06 55.44 2rpi s HIS 98 Cb 0.15 -2.23 0.28 0.00 1.11 0.00 0.00 32.58 31.89 2rpi s HIS 98 CO 0.79 -0.25 1.28 0.54 -0.85 0.00 0.00 174.74 176.25 2rpi n ARG 99 N -2.06 2.27 0.00 1.40 5.12 -1.19 -4.91 116.66 117.28 2rpi n ARG 99 Ca -0.00 -2.02 0.00 0.00 -1.93 0.00 0.00 57.85 53.90 2rpi n ARG 99 Cb 0.57 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.41 2rpi n ARG 99 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2rpi n VAL 100 N 1.34 0.00 -3.59 1.55 3.14 -1.22 -4.83 118.33 114.71 2rpi n VAL 100 Ca 0.15 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.21 2rpi n VAL 100 Cb 0.58 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.30 2rpi n VAL 100 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2rpi s ARG 101 N 0.00 3.70 -0.18 1.45 0.52 0.06 -4.89 118.95 119.61 2rpi s ARG 101 Ca 0.00 0.06 -0.06 0.00 -0.52 0.00 0.00 55.73 55.22 2rpi s ARG 101 Cb 0.00 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.58 2rpi s ARG 101 CO 0.00 0.47 0.02 -0.06 0.02 0.00 0.00 175.30 175.75 2rpi s PHE 102 N -1.60 3.11 -0.40 -0.53 0.40 -1.26 -1.91 117.98 115.79 2rpi s PHE 102 Ca 0.40 -0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.53 2rpi s PHE 102 Cb -0.13 -2.05 0.14 0.00 0.51 0.00 0.00 43.02 41.49 2rpi s PHE 102 CO 0.22 -0.03 0.22 -1.01 0.70 0.00 0.00 175.22 175.32 2rpi s HIS 103 N 0.60 1.46 -0.68 0.36 3.76 -0.62 -4.96 115.29 115.22 2rpi s HIS 103 Ca 0.00 -2.08 -0.26 0.00 -0.15 0.00 0.00 55.06 52.58 2rpi s HIS 103 Cb -0.14 -1.49 -0.03 0.00 1.11 0.00 0.00 32.58 32.03 2rpi s HIS 103 CO 0.02 -0.80 1.94 -0.06 -0.85 0.00 0.00 174.74 174.99 2rpi s PHE 104 N 0.69 1.63 -1.17 1.40 0.08 -1.26 -2.05 117.98 117.30 2rpi s PHE 104 Ca 0.17 0.85 -0.11 0.00 0.12 0.00 0.00 56.93 57.97 2rpi s PHE 104 Cb -0.24 -4.02 0.23 0.00 -0.57 0.00 0.00 43.02 38.42 2rpi s PHE 104 CO -0.00 -2.17 1.36 0.28 -0.10 0.00 0.00 175.22 174.59 2rpi n VAL 105 N 7.48 4.49 0.52 -0.44 0.31 -1.24 -4.94 118.33 124.52 2rpi n VAL 105 Ca 0.27 -5.07 0.06 0.00 -0.01 0.00 0.00 64.34 59.59 2rpi n VAL 105 Cb 0.51 -2.47 0.05 0.00 -0.91 0.00 0.00 33.84 31.02 2rpi n VAL 105 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80