#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 -4.28 7.83 3.02 -1.26 -5.16 115.26 115.42 2rpi n ASN 2 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 2rpi n ASN 2 Cb 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.89 -0.21 0.05 3.52 -0.02 -1.26 -4.95 135.00 131.23 2rpi n PRO 3 Ca 0.00 -0.04 -0.17 0.00 -2.02 0.00 0.00 63.50 61.28 2rpi n PRO 3 Cb 0.00 -1.57 -0.14 0.00 -0.02 0.00 0.00 33.50 31.77 2rpi n PRO 3 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2rpi h SER 4 N -1.39 0.37 0.00 2.55 0.02 -2.01 -3.40 113.55 109.69 2rpi h SER 4 Ca -0.44 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 59.97 2rpi h SER 4 Cb 1.29 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2rpi h SER 4 CO 0.31 1.46 0.00 -2.65 -1.14 0.00 0.00 176.83 174.81 2rpi n PRO 5 N -3.43 0.00 0.13 3.45 -0.02 -1.26 -4.90 135.00 128.97 2rpi n PRO 5 Ca -0.18 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2rpi n PRO 5 Cb 1.04 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 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 -2.25 0.00 -3.15 -0.52 1.74 -1.26 -5.09 116.66 106.13 2rpi n ARG 6 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 2rpi n ARG 6 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 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 -1.55 0.15 -0.11 5.56 2.47 -1.26 -4.80 119.74 120.20 2rpi s LYS 7 Ca 0.00 0.18 -0.30 0.00 -1.56 0.00 0.00 55.97 54.30 2rpi s LYS 7 Cb 0.00 0.09 -0.02 0.00 -1.46 0.00 0.00 37.83 36.44 2rpi s LYS 7 CO 0.00 -0.25 1.12 0.50 0.16 0.00 0.00 175.35 176.89 2rpi s ARG 8 N 2.96 4.35 -0.13 4.03 3.52 -1.26 -1.67 118.95 130.74 2rpi s ARG 8 Ca 0.18 1.54 -0.02 0.00 -0.13 0.00 0.00 55.73 57.30 2rpi s ARG 8 Cb -0.04 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.73 2rpi s ARG 8 CO -0.19 -0.46 -0.05 0.08 -0.81 0.00 0.00 175.30 173.87 2rpi s VAL 9 N 2.43 3.81 -1.11 7.11 1.01 -0.50 -4.93 120.40 128.22 2rpi s VAL 9 Ca 0.52 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 2rpi s VAL 9 Cb -0.21 -2.63 0.20 0.00 0.00 0.00 0.00 36.38 33.74 2rpi s VAL 9 CO 0.18 0.53 1.25 0.00 0.00 0.00 0.00 175.10 177.05 2rpi s ALA 10 N -0.00 4.12 -0.29 5.51 0.00 -1.26 0.17 121.76 130.01 2rpi s ALA 10 Ca 0.00 -3.41 -0.12 0.00 0.00 0.00 0.00 51.96 48.43 2rpi s ALA 10 Cb -0.13 -3.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.03 2rpi s ALA 10 CO 0.03 -2.60 0.23 -1.17 0.00 0.00 0.00 175.76 172.25 2rpi s LEU 11 N 0.83 4.11 -0.43 0.00 0.20 -1.22 -4.99 118.68 117.19 2rpi s LEU 11 Ca 0.36 -0.03 -0.16 0.00 0.69 0.00 0.00 54.13 54.99 2rpi s LEU 11 Cb -0.06 -2.18 0.03 0.00 -0.43 0.00 0.00 46.19 43.55 2rpi s LEU 11 CO -0.04 -0.11 0.37 -0.36 -0.29 0.00 0.00 176.35 175.91 2rpi s PHE 12 N 1.82 3.21 -0.99 5.38 0.08 -1.26 -0.64 117.98 125.57 2rpi s PHE 12 Ca 0.08 -0.59 -0.25 0.00 0.12 0.00 0.00 56.93 56.29 2rpi s PHE 12 Cb -0.16 -2.82 -0.13 0.00 -0.57 0.00 0.00 43.02 39.34 2rpi s PHE 12 CO 0.11 -0.68 2.10 0.95 -0.10 0.00 0.00 175.22 177.61 2rpi s THR 13 N 1.83 3.25 -0.57 0.64 -4.23 -0.41 -4.71 115.64 111.44 2rpi s THR 13 Ca 0.07 -0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.28 2rpi s THR 13 Cb -0.19 -3.90 0.39 0.00 1.34 0.00 0.00 72.50 70.14 2rpi s THR 13 CO 0.10 -0.48 1.37 -0.90 -0.54 0.00 0.00 174.62 174.16 2rpi n ASP 14 N 16.84 5.52 0.00 3.99 5.75 -1.26 -4.64 116.55 142.74 2rpi n ASP 14 Ca 0.43 -3.75 0.00 0.00 -0.01 0.00 0.00 54.79 51.46 2rpi n ASP 14 Cb 0.46 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 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 -0.47 0.00 0.71 6.12 0.00 -1.26 -4.95 105.19 105.34 2rpi n GLY 15 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.69 0.00 -1.61 4.61 0.00 -1.26 -5.05 120.51 115.50 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 -2.59 -3.02 -0.61 0.00 0.00 -1.26 -5.02 120.51 108.00 2rpi n ALA 17 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2rpi n ALA 17 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.22 0.00 -4.43 0.00 -0.00 -1.26 -4.70 117.00 106.39 2rpi n LEU 18 Ca 0.01 -0.10 -0.35 0.00 -0.00 0.00 0.00 56.01 55.56 2rpi n LEU 18 Cb 0.02 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.52 2rpi n LEU 18 CO 0.04 0.39 -0.05 0.61 -0.00 0.00 0.00 177.39 178.38 2rpi n GLY 19 N 0.00 -1.83 0.31 1.47 0.00 -1.26 -4.69 105.19 99.20 2rpi n GLY 19 Ca 0.00 -0.48 0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.65 -0.49 0.06 1.61 -0.73 -2.03 0.64 115.58 114.00 2rpi h ASN 20 Ca -0.45 0.24 -0.00 0.00 1.87 0.00 0.00 56.30 57.96 2rpi h ASN 20 Cb 1.33 0.44 0.00 0.00 0.27 0.00 0.00 38.32 40.37 2rpi h ASN 20 CO 0.40 -0.27 -0.03 -0.65 -0.37 0.00 0.00 177.43 176.51 2rpi h PRO 21 N 0.05 -0.08 0.00 6.67 0.11 -2.04 -3.49 132.00 133.21 2rpi h PRO 21 Ca 0.49 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.61 2rpi h PRO 21 Cb 0.91 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2rpi h PRO 21 CO -0.82 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 177.43 2rpi n GLY 22 N -0.81 1.64 0.17 -0.55 0.00 0.22 -4.79 105.19 101.07 2rpi n GLY 22 Ca -0.08 -2.13 0.09 0.00 0.00 0.00 0.00 46.02 43.90 2rpi n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2rpi h PRO 23 N 0.00 0.00 -0.41 1.61 0.11 -1.84 -3.22 132.00 128.25 2rpi h PRO 23 Ca 0.00 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.23 2rpi h PRO 23 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2rpi h PRO 23 CO 0.00 0.00 0.63 0.41 -0.21 0.00 0.00 178.00 178.83 2rpi n GLY 24 N -1.28 -0.37 0.00 -0.55 0.00 -1.26 -3.54 105.19 98.19 2rpi n GLY 24 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2rpi n GLY 24 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2rpi n THR 25 N -2.14 0.00 0.06 2.61 5.66 -1.24 -5.01 114.28 114.22 2rpi n THR 25 Ca 0.09 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.98 2rpi n THR 25 Cb 0.76 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.52 2rpi n THR 25 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 2rpi h THR 26 N 0.00 1.40 -0.58 1.09 1.35 -1.60 -2.38 112.91 112.20 2rpi h THR 26 Ca 0.00 -2.33 0.01 0.00 -0.55 0.00 0.00 66.41 63.55 2rpi h THR 26 Cb 0.00 2.29 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 2rpi h THR 26 CO 0.00 0.70 0.37 -1.13 -0.25 0.00 0.00 175.52 175.20 2rpi h ASN 27 N 0.24 0.62 -0.64 5.36 -0.00 -1.80 1.89 115.58 121.26 2rpi h ASN 27 Ca -0.05 -0.01 -0.04 0.00 -0.00 0.00 0.00 56.30 56.19 2rpi h ASN 27 Cb 1.45 -0.14 -0.03 0.00 -0.00 0.00 0.00 38.32 39.60 2rpi h ASN 27 CO 0.14 0.44 0.22 0.78 -0.00 0.00 0.00 177.43 179.02 2rpi h ASN 28 N 0.74 0.91 -0.52 1.15 2.35 -1.84 0.58 115.58 118.95 2rpi h ASN 28 Ca 0.22 -0.19 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 2rpi h ASN 28 Cb -0.04 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 2rpi h ASN 28 CO -0.07 0.86 -0.17 -0.09 -1.65 0.00 0.00 177.43 176.31 2rpi h ARG 29 N 0.91 1.02 -0.55 0.81 2.43 -0.74 0.26 114.38 118.51 2rpi h ARG 29 Ca 0.21 -0.41 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 2rpi h ARG 29 Cb 0.26 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2rpi h ARG 29 CO -0.01 1.10 0.08 0.52 -1.51 0.00 0.00 179.97 180.14 2rpi h MET 30 N 0.89 0.93 -0.38 0.20 2.86 0.36 2.20 114.93 121.99 2rpi h MET 30 Ca 0.13 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 2rpi h MET 30 Cb 0.74 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 2rpi h MET 30 CO 0.06 0.90 -0.08 0.93 1.06 0.00 0.00 176.91 179.78 2rpi h GLU 31 N 0.82 0.63 -0.35 1.72 5.08 0.35 0.60 114.58 123.43 2rpi h GLU 31 Ca 0.17 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 2rpi h GLU 31 Cb 0.43 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2rpi h GLU 31 CO 0.01 0.71 -0.43 1.25 -1.00 0.00 0.00 179.01 179.55 2rpi h LEU 32 N 0.59 0.96 -0.40 1.33 5.85 0.51 -1.18 115.31 122.97 2rpi h LEU 32 Ca 0.11 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 2rpi h LEU 32 Cb 0.49 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2rpi h LEU 32 CO 0.03 1.25 0.12 0.50 -0.34 0.00 0.00 178.44 180.00 2rpi h LYS 33 N 0.72 0.62 0.00 1.25 3.11 0.45 -1.79 116.57 120.94 2rpi h LYS 33 Ca 0.05 -0.14 -0.05 0.00 -2.81 0.00 0.00 60.65 57.70 2rpi h LYS 33 Cb 1.02 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.15 2rpi h LYS 33 CO 0.10 0.63 -0.23 0.00 -2.81 0.00 0.00 179.45 177.14 2rpi h ALA 34 N 0.97 1.53 0.32 5.00 0.00 0.26 -2.48 119.26 124.85 2rpi h ALA 34 Ca 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2rpi h ALA 34 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2rpi h ALA 34 CO -0.00 0.29 -0.15 0.00 0.00 0.00 0.00 179.25 179.38 2rpi h ALA 35 N 1.77 -0.42 -0.90 0.00 0.00 -0.58 1.21 119.26 120.34 2rpi h ALA 35 Ca -0.00 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 54.87 2rpi h ALA 35 Cb 0.43 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2rpi h ALA 35 CO 0.03 -0.53 0.58 0.97 0.00 0.00 0.00 179.25 180.30 2rpi h ILE 36 N -0.84 0.80 -0.08 0.00 -0.00 -1.25 0.47 117.51 116.61 2rpi h ILE 36 Ca -0.04 -0.22 -0.21 0.00 -0.00 0.00 0.00 64.86 64.38 2rpi h ILE 36 Cb 0.52 0.10 0.00 0.00 -0.00 0.00 0.00 36.82 37.44 2rpi h ILE 36 CO 0.07 0.12 -0.81 -0.33 -0.00 0.00 0.00 178.15 177.20 2rpi h GLU 37 N 0.65 0.56 0.00 2.19 4.39 -1.31 0.13 114.58 121.19 2rpi h GLU 37 Ca 0.46 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2rpi h GLU 37 Cb 0.80 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2rpi h GLU 37 CO -0.21 1.12 0.00 0.41 -1.16 0.00 0.00 179.01 179.16 2rpi n GLY 38 N 0.71 -0.83 0.00 -3.84 0.00 0.42 0.12 105.19 101.77 2rpi n GLY 38 Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.20 0.00 -0.09 0.99 4.77 0.37 -4.62 117.00 117.22 2rpi n LEU 39 Ca 0.11 -0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 2rpi n LEU 39 Cb 0.13 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.06 2rpi n LEU 39 CO 0.13 0.00 -1.10 1.17 -1.33 0.00 0.00 177.39 176.27 2rpi n LYS 40 N -1.33 0.68 -0.07 3.23 4.81 0.44 -3.63 118.16 122.30 2rpi n LYS 40 Ca 0.00 -0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 2rpi n LYS 40 Cb 0.00 -1.54 0.20 0.00 0.02 0.00 0.00 35.03 33.71 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 -2.71 2.51 0.02 3.14 0.00 0.33 -4.07 120.51 119.72 2rpi n ALA 41 Ca -0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 53.44 52.85 2rpi n ALA 41 Cb 1.12 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.13 0.57 -1.70 0.00 4.77 -1.26 -5.00 117.00 114.26 2rpi n LEU 42 Ca 0.08 0.08 -0.20 0.00 -0.03 0.00 0.00 56.01 55.94 2rpi n LEU 42 Cb 0.15 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 2rpi n LEU 42 CO 0.06 -0.32 -0.20 0.29 -1.33 0.00 0.00 177.39 175.90 2rpi n LYS 43 N -3.28 -1.48 -3.59 3.23 5.02 -1.24 -4.92 118.16 111.91 2rpi n LYS 43 Ca -0.02 1.14 -0.40 0.00 -2.02 0.00 0.00 58.31 57.02 2rpi n LYS 43 Cb 0.30 -5.56 -0.08 0.00 -0.02 0.00 0.00 35.03 29.67 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 -3.89 2.65 -0.96 1.97 0.41 -1.26 -5.03 118.70 112.59 2rpi s GLU 44 Ca 0.00 -2.13 -0.27 0.00 -0.41 0.00 0.00 54.97 52.16 2rpi s GLU 44 Cb 0.00 -3.92 -0.23 0.00 -1.78 0.00 0.00 34.13 28.21 2rpi s GLU 44 CO 0.00 -1.19 2.59 -2.30 -0.49 0.00 0.00 175.26 173.87 2rpi n PRO 45 N 4.27 0.07 -4.07 0.39 -0.02 -1.26 -4.86 135.00 129.52 2rpi n PRO 45 Ca 0.01 -0.01 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 2rpi n PRO 45 Cb 0.41 -1.58 -0.11 0.00 -0.02 0.00 0.00 33.50 32.21 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 7.89 0.52 -1.18 3.55 0.00 -1.26 -4.50 121.76 126.78 2rpi s ALA 46 Ca 1.32 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 52.18 2rpi s ALA 46 Cb -1.11 0.15 0.14 0.00 0.00 0.00 0.00 23.12 22.30 2rpi s ALA 46 CO 0.48 -0.19 1.46 -1.21 0.00 0.00 0.00 175.76 176.30 2rpi s GLU 47 N -2.58 3.97 -0.36 0.00 2.02 -0.67 -3.07 118.70 118.00 2rpi s GLU 47 Ca -0.03 -2.26 -0.29 0.00 0.02 0.00 0.00 54.97 52.41 2rpi s GLU 47 Cb -0.02 -5.16 0.01 0.00 0.10 0.00 0.00 34.13 29.05 2rpi s GLU 47 CO -0.04 -1.90 1.27 0.08 0.02 0.00 0.00 175.26 174.69 2rpi s VAL 48 N 2.50 4.14 -1.38 2.63 1.01 -1.26 -1.41 120.40 126.64 2rpi s VAL 48 Ca 0.44 1.25 -0.14 0.00 0.00 0.00 0.00 61.98 63.52 2rpi s VAL 48 Cb -0.01 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 2rpi s VAL 48 CO -0.00 -0.65 2.29 -0.67 0.00 0.00 0.00 175.10 176.07 2rpi n ASP 49 N 7.86 4.40 -4.57 3.32 -0.08 0.45 0.04 116.55 127.97 2rpi n ASP 49 Ca 0.14 -2.77 -0.39 0.00 -1.51 0.00 0.00 54.79 50.26 2rpi n ASP 49 Cb 0.47 -1.56 -0.03 0.00 2.34 0.00 0.00 41.12 42.35 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 1.72 3.41 -0.42 -2.67 0.20 -0.69 -3.42 118.68 116.81 2rpi s LEU 50 Ca 0.51 1.18 -0.22 0.00 0.69 0.00 0.00 54.13 56.29 2rpi s LEU 50 Cb 0.15 -2.94 0.02 0.00 -0.43 0.00 0.00 46.19 42.98 2rpi s LEU 50 CO -0.06 -2.35 0.74 -0.31 -0.29 0.00 0.00 176.35 174.08 2rpi s TYR 51 N 9.70 3.04 -0.22 5.38 1.51 0.18 -1.54 117.35 135.41 2rpi s TYR 51 Ca 0.89 0.21 0.02 0.00 -1.01 0.00 0.00 57.07 57.18 2rpi s TYR 51 Cb -0.21 -3.50 0.04 0.00 -0.11 0.00 0.00 41.96 38.18 2rpi s TYR 51 CO 0.29 -0.88 -0.15 -0.08 -1.11 0.00 0.00 175.55 173.62 2rpi s THR 52 N 3.10 2.09 -0.66 -0.71 -1.32 -1.04 -1.29 115.64 115.81 2rpi s THR 52 Ca 0.28 -1.30 -0.02 0.00 -1.21 0.00 0.00 61.69 59.44 2rpi s THR 52 Cb -0.13 -2.07 0.39 0.00 -1.51 0.00 0.00 72.50 69.18 2rpi s THR 52 CO 0.20 0.22 2.06 -0.90 -2.21 0.00 0.00 174.62 174.00 2rpi n ASP 53 N 4.53 7.51 -4.93 8.08 5.75 -1.26 -3.51 116.55 132.71 2rpi n ASP 53 Ca -0.17 -3.70 -0.23 0.00 -0.01 0.00 0.00 54.79 50.67 2rpi n ASP 53 Cb 0.46 -1.02 -0.03 0.00 -1.03 0.00 0.00 41.12 39.50 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 -1.39 6.16 0.00 -1.12 0.01 -1.26 -4.93 113.70 111.16 2rpi s SER 54 Ca 0.59 0.05 0.21 0.00 1.31 0.00 0.00 55.95 58.11 2rpi s SER 54 Cb 0.46 -1.79 0.53 0.00 0.21 0.00 0.00 66.02 65.44 2rpi s SER 54 CO -0.10 -0.01 1.45 1.41 0.41 0.00 0.00 173.24 176.40 2rpi n HIS 55 N -0.96 0.50 -0.04 2.43 8.25 -1.26 -3.67 115.22 120.47 2rpi n HIS 55 Ca -0.08 -0.25 -0.08 0.00 -0.26 0.00 0.00 57.72 57.04 2rpi n HIS 55 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 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 1.13 0.00 -0.18 4.41 9.36 -1.26 -4.05 117.16 126.57 2rpi n TYR 56 Ca 0.19 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.32 2rpi n TYR 56 Cb 0.51 -0.31 0.01 0.00 -0.63 0.00 0.00 39.34 38.92 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 -0.25 0.70 0.34 2.98 4.07 -1.92 -2.19 115.31 119.04 2rpi h LEU 57 Ca -0.21 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.57 2rpi h LEU 57 Cb 1.21 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.77 2rpi h LEU 57 CO -0.11 0.67 -0.16 0.50 -1.08 0.00 0.00 178.44 178.25 2rpi h LYS 58 N 0.68 -0.44 -0.95 1.13 3.64 -1.84 -2.59 116.57 116.19 2rpi h LYS 58 Ca 0.17 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.78 2rpi h LYS 58 Cb 0.18 0.10 -0.18 0.00 -0.41 0.00 0.00 32.23 31.92 2rpi h LYS 58 CO -0.02 -0.13 -0.21 -0.22 -2.27 0.00 0.00 179.45 176.60 2rpi h LYS 59 N -0.95 0.00 0.55 1.90 3.64 -1.69 1.04 116.57 121.06 2rpi h LYS 59 Ca -0.05 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2rpi h LYS 59 Cb 0.52 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2rpi h LYS 59 CO 0.08 0.00 -0.26 0.00 -2.27 0.00 0.00 179.45 177.00 2rpi h ALA 60 N 1.95 -0.90 -0.41 5.00 0.00 -1.44 -1.72 119.26 121.74 2rpi h ALA 60 Ca 0.47 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.27 2rpi h ALA 60 Cb 0.74 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2rpi h ALA 60 CO -0.97 -0.84 0.14 0.35 0.00 0.00 0.00 179.25 177.92 2rpi h PHE 61 N -0.96 0.24 0.00 0.00 3.04 -0.94 -1.74 116.94 116.57 2rpi h PHE 61 Ca -0.07 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.86 2rpi h PHE 61 Cb 0.56 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 2rpi h PHE 61 CO 0.04 0.08 -0.19 1.79 -2.02 0.00 0.00 178.31 178.01 2rpi h THR 62 N 0.29 0.90 0.00 4.41 1.35 0.10 -0.49 112.91 119.47 2rpi h THR 62 Ca 0.19 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2rpi h THR 62 Cb 0.19 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2rpi h THR 62 CO -0.21 0.18 0.00 -0.62 -0.25 0.00 0.00 175.52 174.63 2rpi n GLU 63 N -3.97 0.29 -0.36 4.72 1.02 -0.65 -4.86 120.64 116.83 2rpi n GLU 63 Ca -0.02 0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 2rpi n GLU 63 Cb 0.27 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.26 0.05 0.09 0.62 0.00 -0.19 -4.64 105.19 102.38 2rpi n GLY 64 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.65 0.05 -0.02 1.61 2.14 -1.26 -3.47 117.44 115.84 2rpi n TRP 65 Ca -0.01 -0.02 0.01 0.00 2.07 0.00 0.00 57.50 59.55 2rpi n TRP 65 Cb 0.15 0.00 0.33 0.00 -0.81 0.00 0.00 31.31 30.98 2rpi n TRP 65 CO 0.00 0.00 0.00 1.25 2.07 0.00 0.00 177.69 181.01 2rpi h LEU 66 N 0.34 0.53 -0.29 5.67 6.46 -1.82 0.63 115.31 126.83 2rpi h LEU 66 Ca 0.00 -0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 2rpi h LEU 66 Cb 0.08 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 2rpi h LEU 66 CO 0.00 0.50 0.03 -0.08 -0.62 0.00 0.00 178.44 178.27 2rpi h GLU 67 N 0.58 0.49 -0.62 1.25 4.81 -1.96 -2.52 114.58 116.61 2rpi h GLU 67 Ca 0.14 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2rpi h GLU 67 Cb 0.15 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2rpi h GLU 67 CO -0.01 0.62 0.41 0.78 -0.73 0.00 0.00 179.01 180.07 2rpi h GLY 68 N 0.30 0.88 -0.63 1.92 0.00 -1.37 -2.30 103.07 101.87 2rpi h GLY 68 Ca 0.09 -0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.21 2rpi h GLY 68 CO 0.01 0.30 -0.39 1.49 0.00 0.00 0.00 176.54 177.95 2rpi h TRP 69 N 0.82 -1.11 -0.88 5.60 4.06 0.62 1.75 115.95 126.81 2rpi h TRP 69 Ca 0.23 0.09 0.08 0.00 2.06 0.00 0.00 58.89 61.36 2rpi h TRP 69 Cb -0.07 0.59 -0.07 0.00 -1.00 0.00 0.00 29.16 28.61 2rpi h TRP 69 CO -0.04 -0.40 0.53 0.00 -3.56 0.00 0.00 178.44 174.97 2rpi h ARG 70 N -0.13 0.88 -0.00 0.49 3.08 -1.13 0.60 114.38 118.17 2rpi h ARG 70 Ca 0.25 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2rpi h ARG 70 Cb 0.56 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2rpi h ARG 70 CO -0.78 0.59 -0.14 1.63 -1.07 0.00 0.00 179.97 180.20 2rpi n LYS 71 N -4.66 0.28 0.00 0.04 4.76 0.14 -3.62 118.16 115.09 2rpi n LYS 71 Ca 0.14 -0.08 -0.12 0.00 -2.87 0.00 0.00 58.31 55.38 2rpi n LYS 71 Cb 0.25 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.80 2rpi n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rpi h ARG 72 N 0.19 0.09 0.00 1.97 3.08 0.46 -3.48 114.38 116.68 2rpi h ARG 72 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2rpi h ARG 72 Cb 0.43 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2rpi h ARG 72 CO 0.00 0.76 0.00 0.41 -1.07 0.00 0.00 179.97 180.07 2rpi n GLY 73 N 1.65 0.87 1.65 0.04 0.00 -0.52 -4.81 105.19 104.07 2rpi n GLY 73 Ca -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.76 -0.45 -4.17 1.61 7.02 -0.96 -5.03 117.44 114.71 2rpi n TRP 74 Ca 0.00 0.19 -0.11 0.00 -1.02 0.00 0.00 57.50 56.56 2rpi n TRP 74 Cb 0.00 -1.80 -0.10 0.00 -2.42 0.00 0.00 31.31 26.99 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 -0.59 1.17 0.66 -0.99 3.00 -1.26 -3.78 118.95 117.17 2rpi s ARG 75 Ca 0.01 -1.55 -0.07 0.00 0.00 0.00 0.00 55.73 54.13 2rpi s ARG 75 Cb -0.00 0.28 0.04 0.00 0.00 0.00 0.00 34.95 35.27 2rpi s ARG 75 CO 0.09 -0.38 0.98 0.95 0.00 0.00 0.00 175.30 176.94 2rpi s THR 76 N -4.12 2.82 -0.24 0.02 -4.23 0.27 -4.68 115.64 105.48 2rpi s THR 76 Ca 0.34 -0.14 0.11 0.00 -1.18 0.00 0.00 61.69 60.82 2rpi s THR 76 Cb 0.06 -3.18 0.11 0.00 1.34 0.00 0.00 72.50 70.83 2rpi s THR 76 CO 0.09 -0.20 1.24 0.00 -0.54 0.00 0.00 174.62 175.22 2rpi n ALA 77 N -2.80 0.73 -0.04 3.99 0.00 -1.26 -0.67 120.51 120.45 2rpi n ALA 77 Ca 0.07 0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 2rpi n ALA 77 Cb 0.59 -0.87 -0.13 0.00 0.00 0.00 0.00 19.45 19.04 2rpi n ALA 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2rpi n GLU 78 N -1.89 0.68 0.00 0.00 2.13 -1.26 -5.00 120.64 115.31 2rpi n GLU 78 Ca -0.01 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.19 2rpi n GLU 78 Cb 0.21 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.21 2rpi n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2rpi n GLY 79 N 1.78 -0.25 3.90 8.31 0.00 0.15 -5.14 105.19 113.94 2rpi n GLY 79 Ca -0.33 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 3.47 0.98 1.61 -2.85 -1.26 -4.70 119.74 116.98 2rpi s LYS 80 Ca 0.00 -0.30 -0.17 0.00 -1.00 0.00 0.00 55.97 54.50 2rpi s LYS 80 Cb 0.00 -3.07 -0.15 0.00 -2.06 0.00 0.00 37.83 32.55 2rpi s LYS 80 CO 0.00 0.65 -0.78 -2.30 0.10 0.00 0.00 175.35 173.02 2rpi n PRO 81 N 0.80 0.00 -3.31 1.78 -0.02 -1.26 0.96 135.00 133.96 2rpi n PRO 81 Ca -0.09 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.00 2rpi n PRO 81 Cb 0.52 -1.00 -0.06 0.00 -0.02 0.00 0.00 33.50 32.95 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 -2.00 4.93 0.35 -1.45 1.01 -1.25 -4.12 120.40 117.88 2rpi s VAL 82 Ca 0.41 1.10 -0.20 0.00 0.00 0.00 0.00 61.98 63.29 2rpi s VAL 82 Cb -0.19 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 2rpi s VAL 82 CO 0.82 0.48 0.85 -0.54 0.00 0.00 0.00 175.10 176.71 2rpi s LYS 83 N -0.51 4.21 0.00 2.72 -0.14 -1.26 -3.28 119.74 121.49 2rpi s LYS 83 Ca 0.28 0.97 0.00 0.00 -1.36 0.00 0.00 55.97 55.86 2rpi s LYS 83 Cb -0.18 -2.45 0.00 0.00 -1.68 0.00 0.00 37.83 33.53 2rpi s LYS 83 CO 0.16 0.13 0.00 0.09 -0.76 0.00 0.00 175.35 174.97 2rpi n ASN 84 N -0.19 -4.01 -0.05 2.83 5.03 -1.26 -4.82 115.26 112.78 2rpi n ASN 84 Ca 0.04 0.00 0.25 0.00 0.87 0.00 0.00 54.58 55.74 2rpi n ASN 84 Cb 0.53 -2.02 0.66 0.00 -1.02 0.00 0.00 39.78 37.93 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 0.58 0.00 0.05 3.52 -0.00 -1.98 0.94 114.38 117.49 2rpi h ARG 85 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 59.98 59.70 2rpi h ARG 85 Cb 0.47 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.46 2rpi h ARG 85 CO 0.00 0.00 -1.11 0.22 -0.00 0.00 0.00 179.97 179.08 2rpi h ASP 86 N 0.00 0.85 -0.25 0.08 3.58 -1.88 0.20 116.42 119.00 2rpi h ASP 86 Ca 0.33 -0.72 -0.11 0.00 0.42 0.00 0.00 57.03 56.95 2rpi h ASP 86 Cb 1.78 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 42.56 2rpi h ASP 86 CO -0.00 1.53 -0.27 -0.07 -2.88 0.00 0.00 179.24 177.55 2rpi h LEU 87 N 0.33 0.68 0.65 2.28 3.38 0.34 -2.31 115.31 120.65 2rpi h LEU 87 Ca -0.15 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.31 2rpi h LEU 87 Cb 1.77 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 42.34 2rpi h LEU 87 CO 0.21 1.02 -0.31 -0.50 0.09 0.00 0.00 178.44 178.95 2rpi h TRP 88 N 0.35 -0.81 -0.90 1.13 4.06 -0.55 0.78 115.95 120.00 2rpi h TRP 88 Ca 0.04 -0.02 0.26 0.00 2.06 0.00 0.00 58.89 61.23 2rpi h TRP 88 Cb 0.83 0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 29.22 2rpi h TRP 88 CO 0.08 -0.50 0.65 0.93 -3.56 0.00 0.00 178.44 176.03 2rpi h GLU 89 N -1.06 0.02 0.18 0.49 5.08 -0.68 0.86 114.58 119.48 2rpi h GLU 89 Ca -0.09 -0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.97 2rpi h GLU 89 Cb 0.67 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.93 2rpi h GLU 89 CO 0.15 0.01 -1.43 0.00 -1.00 0.00 0.00 179.01 176.74 2rpi h ALA 90 N 1.55 0.02 -0.74 3.43 0.00 -1.26 -2.62 119.26 119.64 2rpi h ALA 90 Ca 0.43 -0.97 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 2rpi h ALA 90 Cb 1.70 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 2rpi h ALA 90 CO -0.02 0.76 0.30 1.25 0.00 0.00 0.00 179.25 181.54 2rpi h LEU 91 N -0.07 1.03 -0.31 0.00 6.46 0.31 0.65 115.31 123.38 2rpi h LEU 91 Ca -0.27 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.29 2rpi h LEU 91 Cb 1.96 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 41.61 2rpi h LEU 91 CO 0.17 0.92 0.11 0.25 -0.62 0.00 0.00 178.44 179.27 2rpi h LEU 92 N 1.07 0.45 -0.81 2.25 5.85 0.51 1.08 115.31 125.71 2rpi h LEU 92 Ca 0.25 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2rpi h LEU 92 Cb 0.21 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2rpi h LEU 92 CO -0.02 0.52 0.24 -0.07 -0.34 0.00 0.00 178.44 178.78 2rpi h LEU 93 N 0.35 1.05 -0.23 2.25 3.38 -1.08 -1.33 115.31 119.70 2rpi h LEU 93 Ca 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2rpi h LEU 93 Cb 0.23 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2rpi h LEU 93 CO -0.00 0.97 0.00 0.00 0.09 0.00 0.00 178.44 179.50 2rpi n ALA 94 N -2.45 2.07 0.62 1.53 0.00 0.22 -2.83 120.51 119.67 2rpi n ALA 94 Ca 0.06 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.62 2rpi n ALA 94 Cb 0.22 -1.44 0.27 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.20 2.21 -0.02 0.00 2.81 0.37 -4.30 117.12 115.99 2rpi n MET 95 Ca 0.04 -1.84 -0.13 0.00 -1.81 0.00 0.00 57.70 53.97 2rpi n MET 95 Cb 0.35 -1.46 -0.10 0.00 -0.71 0.00 0.00 33.22 31.30 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 4.28 -0.05 -0.51 3.04 0.00 -1.32 -3.31 119.26 121.39 2rpi h ALA 96 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2rpi h ALA 96 Cb 0.78 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2rpi h ALA 96 CO 0.00 -0.18 0.20 -1.35 0.00 0.00 0.00 179.25 177.92 2rpi h PRO 97 N -0.75 0.73 -6.90 0.00 0.11 -1.79 -3.44 132.00 119.97 2rpi h PRO 97 Ca -0.01 -0.10 -0.46 0.00 0.11 0.00 0.00 66.00 65.54 2rpi h PRO 97 Cb 0.65 -0.13 0.04 0.00 0.11 0.00 0.00 31.00 31.67 2rpi h PRO 97 CO 0.01 0.60 0.03 -1.01 -0.21 0.00 0.00 178.00 177.42 2rpi s HIS 98 N -5.34 3.16 -2.93 0.65 3.76 -1.25 -4.66 115.29 108.68 2rpi s HIS 98 Ca -0.09 0.35 0.24 0.00 -0.15 0.00 0.00 55.06 55.40 2rpi s HIS 98 Cb 0.16 -2.57 0.18 0.00 1.11 0.00 0.00 32.58 31.46 2rpi s HIS 98 CO 0.77 -0.65 1.25 0.54 -0.85 0.00 0.00 174.74 175.80 2rpi n ARG 99 N -2.34 2.26 0.00 1.40 3.00 -1.17 -4.93 116.66 114.87 2rpi n ARG 99 Ca 0.04 -1.88 0.00 0.00 -0.01 0.00 0.00 57.85 55.99 2rpi n ARG 99 Cb 0.58 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.59 2rpi n ARG 99 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2rpi n VAL 100 N 1.29 0.00 -3.85 1.55 3.14 -1.20 -4.75 118.33 114.51 2rpi n VAL 100 Ca 0.14 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.20 2rpi n VAL 100 Cb 0.59 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.33 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 3.49 -0.18 1.45 0.52 0.11 -4.86 118.95 119.48 2rpi s ARG 101 Ca 0.00 -0.31 -0.04 0.00 -0.52 0.00 0.00 55.73 54.85 2rpi s ARG 101 Cb 0.00 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 2rpi s ARG 101 CO 0.00 0.59 -0.01 -0.06 0.02 0.00 0.00 175.30 175.84 2rpi s PHE 102 N -1.50 3.04 -0.43 -0.53 0.40 -1.26 -1.70 117.98 116.00 2rpi s PHE 102 Ca 0.35 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 2rpi s PHE 102 Cb -0.13 -2.03 0.15 0.00 0.51 0.00 0.00 43.02 41.52 2rpi s PHE 102 CO 0.25 -0.13 0.27 -1.01 0.70 0.00 0.00 175.22 175.30 2rpi s HIS 103 N 0.68 1.52 -0.56 0.36 3.76 -0.59 -4.95 115.29 115.51 2rpi s HIS 103 Ca -0.01 -2.22 -0.26 0.00 -0.15 0.00 0.00 55.06 52.42 2rpi s HIS 103 Cb -0.14 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.07 2rpi s HIS 103 CO 0.02 -0.79 2.10 -0.06 -0.85 0.00 0.00 174.74 175.17 2rpi s PHE 104 N 0.37 1.40 -1.14 1.40 0.08 -1.26 -2.50 117.98 116.34 2rpi s PHE 104 Ca 0.22 1.13 -0.09 0.00 0.12 0.00 0.00 56.93 58.31 2rpi s PHE 104 Cb -0.16 -3.86 0.26 0.00 -0.57 0.00 0.00 43.02 38.69 2rpi s PHE 104 CO -0.05 -2.42 1.27 0.28 -0.10 0.00 0.00 175.22 174.20 2rpi n VAL 105 N 7.56 4.63 0.57 -0.44 0.31 -1.23 -4.93 118.33 124.80 2rpi n VAL 105 Ca 0.28 -5.32 0.07 0.00 -0.01 0.00 0.00 64.34 59.36 2rpi n VAL 105 Cb 0.53 -2.48 0.06 0.00 -0.91 0.00 0.00 33.84 31.04 2rpi n VAL 105 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80