#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 -3.95 7.83 5.03 -1.26 -5.17 115.26 117.75 2rpi n ASN 2 Ca 0.00 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.18 2rpi n ASN 2 Cb 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 39.78 38.86 2rpi n ASN 2 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2rpi n PRO 3 N -0.65 -1.06 0.02 3.52 -0.02 -1.26 -4.96 135.00 130.59 2rpi n PRO 3 Ca 0.00 -0.31 -0.22 0.00 -2.02 0.00 0.00 63.50 60.95 2rpi n PRO 3 Cb 0.00 -1.32 -0.14 0.00 -0.02 0.00 0.00 33.50 32.02 2rpi n PRO 3 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2rpi h SER 4 N -1.88 0.45 -0.23 2.55 4.64 -2.02 -3.40 113.55 113.66 2rpi h SER 4 Ca -0.35 -0.88 0.03 0.00 -0.47 0.00 0.00 61.79 60.12 2rpi h SER 4 Cb 1.04 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.94 2rpi h SER 4 CO 0.22 1.70 -0.30 -0.65 -0.87 0.00 0.00 176.83 176.93 2rpi h PRO 5 N -0.15 -0.20 0.00 4.77 0.11 -2.03 -3.45 132.00 131.05 2rpi h PRO 5 Ca -0.33 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2rpi h PRO 5 Cb 1.89 0.05 0.00 0.00 0.11 0.00 0.00 31.00 33.04 2rpi h PRO 5 CO 0.09 -0.13 0.00 0.54 -0.21 0.00 0.00 178.00 178.29 2rpi n ARG 6 N -4.14 0.00 -3.17 1.05 1.74 -1.26 -5.09 116.66 105.79 2rpi n ARG 6 Ca -0.02 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.11 2rpi n ARG 6 Cb 0.18 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.59 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 -1.92 0.03 -0.21 5.56 2.20 -1.26 -4.66 119.74 119.48 2rpi s LYS 7 Ca 0.00 0.06 -0.16 0.00 -0.36 0.00 0.00 55.97 55.51 2rpi s LYS 7 Cb 0.00 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.32 2rpi s LYS 7 CO 0.00 -0.02 0.43 0.50 -0.36 0.00 0.00 175.35 175.90 2rpi s ARG 8 N 2.32 4.16 -0.12 4.03 3.52 -1.26 0.13 118.95 131.72 2rpi s ARG 8 Ca -0.03 0.24 -0.02 0.00 -0.13 0.00 0.00 55.73 55.80 2rpi s ARG 8 Cb -0.03 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 2rpi s ARG 8 CO -0.13 -0.10 -0.07 0.08 -0.81 0.00 0.00 175.30 174.27 2rpi s VAL 9 N 1.50 3.63 -1.09 7.11 1.01 -0.60 -4.93 120.40 127.03 2rpi s VAL 9 Ca 0.20 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 2rpi s VAL 9 Cb -0.15 -2.55 0.19 0.00 0.00 0.00 0.00 36.38 33.87 2rpi s VAL 9 CO 0.09 0.53 1.24 0.00 0.00 0.00 0.00 175.10 176.95 2rpi s ALA 10 N 0.02 4.03 -0.32 5.51 0.00 -1.26 0.60 121.76 130.34 2rpi s ALA 10 Ca -0.01 -3.33 -0.14 0.00 0.00 0.00 0.00 51.96 48.48 2rpi s ALA 10 Cb -0.14 -3.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.03 2rpi s ALA 10 CO 0.03 -2.65 0.31 -1.17 0.00 0.00 0.00 175.76 172.28 2rpi s LEU 11 N 1.09 4.36 -0.47 0.00 0.20 -1.23 -5.00 118.68 117.63 2rpi s LEU 11 Ca 0.36 -0.19 -0.17 0.00 0.69 0.00 0.00 54.13 54.81 2rpi s LEU 11 Cb -0.05 -2.27 0.05 0.00 -0.43 0.00 0.00 46.19 43.49 2rpi s LEU 11 CO -0.05 -0.25 0.47 -0.36 -0.29 0.00 0.00 176.35 175.87 2rpi s PHE 12 N 1.91 3.16 -1.00 5.38 0.40 -1.26 -0.65 117.98 125.92 2rpi s PHE 12 Ca 0.10 -0.64 -0.26 0.00 -0.60 0.00 0.00 56.93 55.54 2rpi s PHE 12 Cb -0.17 -3.18 -0.16 0.00 0.51 0.00 0.00 43.02 40.03 2rpi s PHE 12 CO 0.11 -0.83 2.15 0.95 0.70 0.00 0.00 175.22 178.30 2rpi s THR 13 N 2.09 3.16 -0.60 0.64 -4.23 -0.46 -4.70 115.64 111.54 2rpi s THR 13 Ca 0.10 -0.22 0.03 0.00 -1.18 0.00 0.00 61.69 60.42 2rpi s THR 13 Cb -0.20 -3.82 0.38 0.00 1.34 0.00 0.00 72.50 70.20 2rpi s THR 13 CO 0.10 -0.31 1.31 -0.90 -0.54 0.00 0.00 174.62 174.28 2rpi n ASP 14 N 17.86 5.44 0.00 3.99 5.75 -1.26 -4.65 116.55 143.67 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 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 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 -0.40 0.00 0.40 6.12 0.00 -1.26 -4.93 105.19 105.12 2rpi n GLY 15 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.80 0.00 -1.66 4.61 0.00 -1.26 -5.02 120.51 115.38 2rpi n ALA 16 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 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 -2.64 -3.02 -0.58 0.00 0.00 -1.26 -5.02 120.51 107.99 2rpi n ALA 17 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2rpi n ALA 17 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.27 0.00 -4.41 0.00 -0.00 -1.26 -4.72 117.00 106.33 2rpi n LEU 18 Ca 0.01 -0.09 -0.36 0.00 -0.00 0.00 0.00 56.01 55.57 2rpi n LEU 18 Cb 0.04 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.52 2rpi n LEU 18 CO 0.06 0.38 -0.09 0.61 -0.00 0.00 0.00 177.39 178.35 2rpi n GLY 19 N 0.00 -1.91 0.32 1.47 0.00 -1.26 -4.69 105.19 99.12 2rpi n GLY 19 Ca 0.00 -0.44 0.09 0.00 0.00 0.00 0.00 46.02 45.67 2rpi n GLY 19 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2rpi h ASN 20 N -0.52 -0.51 0.12 1.61 4.21 -2.02 0.53 115.58 119.00 2rpi h ASN 20 Ca -0.45 0.25 -0.01 0.00 1.21 0.00 0.00 56.30 57.30 2rpi h ASN 20 Cb 1.35 0.45 0.00 0.00 -1.12 0.00 0.00 38.32 39.00 2rpi h ASN 20 CO 0.40 -0.27 -0.06 -0.65 -1.29 0.00 0.00 177.43 175.56 2rpi h PRO 21 N 0.05 -0.16 0.00 0.81 0.11 -2.04 -3.49 132.00 127.27 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 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2rpi h PRO 21 CO -0.83 -0.01 0.00 0.41 -0.21 0.00 0.00 178.00 177.36 2rpi n GLY 22 N -0.85 2.38 0.09 -0.55 0.00 0.19 -4.79 105.19 101.66 2rpi n GLY 22 Ca -0.08 -2.04 0.04 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.37 0.06 0.13 1.61 -0.02 -1.26 -3.33 135.00 130.81 2rpi n PRO 23 Ca 0.00 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2rpi n PRO 23 Cb 0.00 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.30 -0.19 0.00 -1.23 0.00 -1.26 -3.61 105.19 97.60 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 -0.37 0.00 0.00 0.00 173.32 172.95 2rpi n THR 25 N -1.40 0.00 0.05 2.61 5.66 -1.23 -5.01 114.28 114.96 2rpi n THR 25 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 2rpi n THR 25 Cb 0.58 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.36 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 1.39 -0.69 1.09 1.35 -1.61 -2.38 112.91 112.06 2rpi h THR 26 Ca 0.00 -2.26 0.01 0.00 -0.55 0.00 0.00 66.41 63.62 2rpi h THR 26 Cb 0.00 2.22 -0.04 0.00 -1.73 0.00 0.00 68.15 68.61 2rpi h THR 26 CO 0.00 0.68 0.45 -1.13 -0.25 0.00 0.00 175.52 175.27 2rpi h ASN 27 N 0.27 0.77 -0.58 5.36 -0.00 -1.80 1.71 115.58 121.32 2rpi h ASN 27 Ca -0.05 -0.02 -0.04 0.00 -0.00 0.00 0.00 56.30 56.19 2rpi h ASN 27 Cb 1.41 -0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 39.52 2rpi h ASN 27 CO 0.14 0.56 0.19 0.78 -0.00 0.00 0.00 177.43 179.10 2rpi h ASN 28 N 0.92 0.83 -0.17 1.15 2.35 -1.83 0.73 115.58 119.55 2rpi h ASN 28 Ca 0.26 -0.20 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 2rpi h ASN 28 Cb -0.08 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 2rpi h ASN 28 CO -0.06 0.81 -0.43 -0.09 -1.65 0.00 0.00 177.43 176.00 2rpi h ARG 29 N 0.81 0.72 -0.47 0.81 2.43 -0.79 0.60 114.38 118.49 2rpi h ARG 29 Ca 0.19 -0.39 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 2rpi h ARG 29 Cb 0.26 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2rpi h ARG 29 CO -0.01 1.01 0.01 0.52 -1.51 0.00 0.00 179.97 179.99 2rpi h MET 30 N 0.58 0.82 -0.21 0.20 2.86 0.31 1.39 114.93 120.89 2rpi h MET 30 Ca 0.04 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.36 2rpi h MET 30 Cb 0.98 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 2rpi h MET 30 CO 0.09 0.86 -0.17 0.93 1.06 0.00 0.00 176.91 179.69 2rpi h GLU 31 N 0.67 0.35 -0.27 1.72 5.08 0.60 0.22 114.58 122.95 2rpi h GLU 31 Ca 0.13 -0.10 -0.19 0.00 -1.00 0.00 0.00 59.36 58.21 2rpi h GLU 31 Cb 0.49 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2rpi h GLU 31 CO 0.02 0.52 -0.57 1.25 -1.00 0.00 0.00 179.01 179.23 2rpi h LEU 32 N 0.32 0.97 -0.37 1.33 5.85 -0.13 -1.86 115.31 121.42 2rpi h LEU 32 Ca 0.06 -0.55 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 2rpi h LEU 32 Cb 0.49 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2rpi h LEU 32 CO 0.03 1.33 0.22 0.50 -0.34 0.00 0.00 178.44 180.19 2rpi h LYS 33 N 0.64 0.51 0.00 1.25 3.11 0.29 -0.58 116.57 121.79 2rpi h LYS 33 Ca 0.01 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 57.75 2rpi h LYS 33 Cb 1.18 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.30 2rpi h LYS 33 CO 0.13 0.39 -0.21 0.00 -2.81 0.00 0.00 179.45 176.94 2rpi h ALA 34 N 1.09 1.56 0.15 5.00 0.00 -0.56 -2.23 119.26 124.27 2rpi h ALA 34 Ca 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2rpi h ALA 34 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2rpi h ALA 34 CO -0.02 0.27 -0.07 0.00 0.00 0.00 0.00 179.25 179.42 2rpi h ALA 35 N 1.79 -0.20 -0.88 0.00 0.00 -0.43 0.58 119.26 120.10 2rpi h ALA 35 Ca -0.00 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.78 2rpi h ALA 35 Cb 0.40 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2rpi h ALA 35 CO 0.03 -0.34 0.57 -0.84 0.00 0.00 0.00 179.25 178.66 2rpi h ILE 36 N -0.74 0.97 -0.23 0.00 -0.00 -1.03 0.23 117.51 116.71 2rpi h ILE 36 Ca -0.02 -0.30 -0.16 0.00 -0.00 0.00 0.00 64.86 64.38 2rpi h ILE 36 Cb 0.52 0.02 -0.00 0.00 -0.00 0.00 0.00 36.82 37.36 2rpi h ILE 36 CO 0.03 0.16 -0.53 -0.33 -0.00 0.00 0.00 178.15 177.49 2rpi h GLU 37 N 0.87 0.65 0.00 0.16 4.39 -1.35 0.89 114.58 120.19 2rpi h GLU 37 Ca 0.41 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2rpi h GLU 37 Cb 0.41 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2rpi h GLU 37 CO -0.17 1.02 0.00 0.41 -1.16 0.00 0.00 179.01 179.10 2rpi n GLY 38 N 0.25 -0.92 0.00 -3.84 0.00 0.20 0.10 105.19 100.98 2rpi n GLY 38 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.38 0.00 -0.08 0.99 4.77 -0.10 -4.60 117.00 116.61 2rpi n LEU 39 Ca 0.06 -0.16 -0.05 0.00 -0.03 0.00 0.00 56.01 55.83 2rpi n LEU 39 Cb 0.15 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.09 2rpi n LEU 39 CO 0.13 0.00 -1.04 1.17 -1.33 0.00 0.00 177.39 176.32 2rpi n LYS 40 N -1.11 0.78 -0.15 3.23 4.81 0.31 -3.61 118.16 122.42 2rpi n LYS 40 Ca 0.00 -0.05 0.06 0.00 -0.87 0.00 0.00 58.31 57.45 2rpi n LYS 40 Cb 0.00 -1.50 0.19 0.00 0.02 0.00 0.00 35.03 33.74 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 -2.61 2.46 0.05 3.14 0.00 0.28 -4.35 120.51 119.49 2rpi n ALA 41 Ca -0.25 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2rpi n ALA 41 Cb 1.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.40 0.80 -1.72 0.00 4.77 -1.26 -5.00 117.00 114.98 2rpi n LEU 42 Ca 0.12 0.16 -0.20 0.00 -0.03 0.00 0.00 56.01 56.06 2rpi n LEU 42 Cb 0.28 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 2rpi n LEU 42 CO 0.08 -0.73 -0.21 0.29 -1.33 0.00 0.00 177.39 175.50 2rpi n LYS 43 N -3.35 -1.42 -3.52 3.23 5.02 -1.24 -4.94 118.16 111.93 2rpi n LYS 43 Ca 0.00 1.12 -0.42 0.00 -2.02 0.00 0.00 58.31 56.99 2rpi n LYS 43 Cb 0.00 -5.52 -0.08 0.00 -0.02 0.00 0.00 35.03 29.40 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 -4.06 2.57 -0.76 1.97 0.41 -1.26 -5.03 118.70 112.55 2rpi s GLU 44 Ca 0.00 -1.70 -0.35 0.00 -0.41 0.00 0.00 54.97 52.51 2rpi s GLU 44 Cb 0.00 -3.96 -0.19 0.00 -1.78 0.00 0.00 34.13 28.20 2rpi s GLU 44 CO 0.00 -1.17 2.47 -2.30 -0.49 0.00 0.00 175.26 173.77 2rpi n PRO 45 N 4.96 0.17 -3.88 0.39 -0.02 -1.26 -4.88 135.00 130.48 2rpi n PRO 45 Ca -0.09 0.02 -0.11 0.00 -2.02 0.00 0.00 63.50 61.30 2rpi n PRO 45 Cb 0.41 -1.74 -0.10 0.00 -0.02 0.00 0.00 33.50 32.06 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 8.24 -0.29 -1.15 3.55 0.00 -1.26 -4.43 121.76 126.42 2rpi s ALA 46 Ca 1.26 -0.18 -0.18 0.00 0.00 0.00 0.00 51.96 52.86 2rpi s ALA 46 Cb -1.21 0.12 0.11 0.00 0.00 0.00 0.00 23.12 22.14 2rpi s ALA 46 CO 0.52 -0.21 1.48 -1.21 0.00 0.00 0.00 175.76 176.34 2rpi s GLU 47 N -1.45 3.87 -0.47 0.00 2.02 0.34 -3.13 118.70 119.88 2rpi s GLU 47 Ca -0.14 -1.96 -0.29 0.00 0.02 0.00 0.00 54.97 52.60 2rpi s GLU 47 Cb -0.08 -5.25 0.03 0.00 0.10 0.00 0.00 34.13 28.94 2rpi s GLU 47 CO 0.01 -2.01 1.16 0.08 0.02 0.00 0.00 175.26 174.52 2rpi s VAL 48 N 3.29 4.18 -1.38 2.63 1.01 -1.26 -1.55 120.40 127.32 2rpi s VAL 48 Ca 0.45 1.21 -0.14 0.00 0.00 0.00 0.00 61.98 63.50 2rpi s VAL 48 Cb -0.00 -4.56 -0.01 0.00 0.00 0.00 0.00 36.38 31.81 2rpi s VAL 48 CO -0.01 -0.97 2.30 -0.67 0.00 0.00 0.00 175.10 175.74 2rpi n ASP 49 N 7.91 4.45 -4.58 3.32 -0.08 0.20 0.19 116.55 127.96 2rpi n ASP 49 Ca 0.12 -2.77 -0.40 0.00 -1.51 0.00 0.00 54.79 50.23 2rpi n ASP 49 Cb 0.49 -1.56 -0.03 0.00 2.34 0.00 0.00 41.12 42.36 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 1.71 3.42 -0.44 -2.67 0.20 -0.72 -3.57 118.68 116.61 2rpi s LEU 50 Ca 0.51 1.41 -0.22 0.00 0.69 0.00 0.00 54.13 56.52 2rpi s LEU 50 Cb 0.15 -3.11 0.02 0.00 -0.43 0.00 0.00 46.19 42.82 2rpi s LEU 50 CO -0.06 -2.26 0.73 -0.31 -0.29 0.00 0.00 176.35 174.16 2rpi s TYR 51 N 9.43 3.02 -0.24 5.38 2.02 0.17 -1.47 117.35 135.67 2rpi s TYR 51 Ca 0.94 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 57.74 2rpi s TYR 51 Cb -0.24 -3.53 0.04 0.00 -0.40 0.00 0.00 41.96 37.83 2rpi s TYR 51 CO 0.31 -0.93 -0.13 -0.08 -1.57 0.00 0.00 175.55 173.15 2rpi s THR 52 N 3.09 2.25 -0.58 -0.71 -1.32 -0.93 -1.35 115.64 116.09 2rpi s THR 52 Ca 0.27 -1.35 -0.01 0.00 -1.21 0.00 0.00 61.69 59.38 2rpi s THR 52 Cb -0.13 -2.19 0.41 0.00 -1.51 0.00 0.00 72.50 69.08 2rpi s THR 52 CO 0.21 0.16 2.02 -0.90 -2.21 0.00 0.00 174.62 173.91 2rpi n ASP 53 N 4.52 7.24 -4.94 8.08 5.75 -1.26 -3.49 116.55 132.45 2rpi n ASP 53 Ca -0.16 -3.62 -0.23 0.00 -0.01 0.00 0.00 54.79 50.77 2rpi n ASP 53 Cb 0.45 -0.99 -0.03 0.00 -1.03 0.00 0.00 41.12 39.53 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 -1.37 6.19 0.00 -1.12 0.01 -1.26 -4.92 113.70 111.23 2rpi s SER 54 Ca 0.57 0.05 0.21 0.00 1.31 0.00 0.00 55.95 58.09 2rpi s SER 54 Cb 0.45 -1.80 0.54 0.00 0.21 0.00 0.00 66.02 65.42 2rpi s SER 54 CO -0.00 -0.02 1.45 1.41 0.41 0.00 0.00 173.24 176.48 2rpi n HIS 55 N -1.04 0.49 -0.05 2.43 8.25 -1.26 -3.69 115.22 120.34 2rpi n HIS 55 Ca -0.08 -0.24 -0.10 0.00 -0.26 0.00 0.00 57.72 57.03 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 1.04 0.00 -0.20 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 0.48 -0.36 0.03 0.00 -0.63 0.00 0.00 39.34 38.86 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 -0.30 0.76 0.35 2.98 4.07 -1.92 -2.22 115.31 119.04 2rpi h LEU 57 Ca -0.25 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.56 2rpi h LEU 57 Cb 1.24 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.78 2rpi h LEU 57 CO -0.13 0.69 -0.17 0.50 -1.08 0.00 0.00 178.44 178.24 2rpi h LYS 58 N 0.78 -0.46 -0.96 1.13 3.64 -1.83 -2.60 116.57 116.27 2rpi h LYS 58 Ca 0.20 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.81 2rpi h LYS 58 Cb 0.14 0.10 -0.18 0.00 -0.41 0.00 0.00 32.23 31.88 2rpi h LYS 58 CO -0.02 -0.14 -0.19 1.17 -2.27 0.00 0.00 179.45 178.00 2rpi n LYS 59 N -5.12 -0.08 0.23 1.90 4.81 -1.19 0.10 118.16 118.80 2rpi n LYS 59 Ca -0.09 1.48 -0.09 0.00 -0.87 0.00 0.00 58.31 58.74 2rpi n LYS 59 Cb 0.27 -2.24 -0.04 0.00 0.02 0.00 0.00 35.03 33.04 2rpi n LYS 59 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rpi h ALA 60 N 1.91 -0.81 -0.52 3.14 0.00 -1.42 -2.30 119.26 119.26 2rpi h ALA 60 Ca 0.48 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.32 2rpi h ALA 60 Cb 0.80 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2rpi h ALA 60 CO -0.97 -0.76 0.23 0.35 0.00 0.00 0.00 179.25 178.10 2rpi h PHE 61 N -0.85 0.41 0.00 0.00 3.04 -0.93 -1.42 116.94 117.19 2rpi h PHE 61 Ca -0.06 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.88 2rpi h PHE 61 Cb 0.46 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.86 2rpi h PHE 61 CO 0.05 0.17 -0.15 1.79 -2.02 0.00 0.00 178.31 178.14 2rpi h THR 62 N 0.44 0.87 -0.00 4.41 1.35 0.59 0.06 112.91 120.62 2rpi h THR 62 Ca 0.24 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2rpi h THR 62 Cb 0.21 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2rpi h THR 62 CO -0.21 0.15 -0.03 -0.62 -0.25 0.00 0.00 175.52 174.57 2rpi n GLU 63 N -4.01 0.43 -0.50 4.72 1.02 -0.58 -4.87 120.64 116.85 2rpi n GLU 63 Ca -0.02 -0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 57.07 2rpi n GLU 63 Cb 0.24 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.15 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 1.30 0.13 0.09 0.62 0.00 0.01 -4.66 105.19 102.68 2rpi n GLY 64 Ca 0.14 0.00 0.04 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 -0.82 0.06 -0.15 1.61 2.14 -1.25 -3.65 117.44 115.38 2rpi n TRP 65 Ca -0.01 -0.03 -0.01 0.00 2.07 0.00 0.00 57.50 59.52 2rpi n TRP 65 Cb 0.18 0.00 0.23 0.00 -0.81 0.00 0.00 31.31 30.91 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 0.32 0.78 -0.25 5.67 6.46 -1.83 0.37 115.31 126.83 2rpi h LEU 66 Ca 0.00 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 2rpi h LEU 66 Cb 0.07 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 2rpi h LEU 66 CO 0.00 0.67 0.14 -0.08 -0.62 0.00 0.00 178.44 178.54 2rpi h GLU 67 N 0.86 0.35 -0.74 1.25 4.81 -1.97 -1.65 114.58 117.50 2rpi h GLU 67 Ca 0.21 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 2rpi h GLU 67 Cb 0.10 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2rpi h GLU 67 CO -0.03 0.32 0.44 0.78 -0.73 0.00 0.00 179.01 179.79 2rpi h GLY 68 N 0.29 1.09 -0.67 1.92 0.00 -1.45 -1.78 103.07 102.47 2rpi h GLY 68 Ca 0.09 -0.31 0.13 0.00 0.00 0.00 0.00 47.33 47.23 2rpi h GLY 68 CO -0.01 0.22 -0.35 1.49 0.00 0.00 0.00 176.54 177.88 2rpi h TRP 69 N 0.81 -0.97 -0.74 5.60 4.06 0.65 2.08 115.95 127.43 2rpi h TRP 69 Ca 0.32 0.09 0.09 0.00 2.06 0.00 0.00 58.89 61.44 2rpi h TRP 69 Cb 0.15 0.54 -0.07 0.00 -1.00 0.00 0.00 29.16 28.78 2rpi h TRP 69 CO -0.06 -0.39 0.40 0.00 -3.56 0.00 0.00 178.44 174.83 2rpi h ARG 70 N -0.09 0.66 -0.00 0.49 3.08 -1.02 0.22 114.38 117.72 2rpi h ARG 70 Ca 0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2rpi h ARG 70 Cb 0.57 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2rpi h ARG 70 CO -0.82 0.44 -0.04 1.63 -1.07 0.00 0.00 179.97 180.11 2rpi n LYS 71 N -4.81 0.32 -0.26 0.04 4.01 0.22 -3.11 118.16 114.57 2rpi n LYS 71 Ca 0.11 -0.03 0.11 0.00 -0.51 0.00 0.00 58.31 57.99 2rpi n LYS 71 Cb 0.26 -1.50 0.27 0.00 -0.51 0.00 0.00 35.03 33.55 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 -1.31 2.38 -0.78 1.97 1.74 0.64 -4.90 116.66 116.41 2rpi n ARG 72 Ca 0.12 -2.13 0.00 0.00 -0.77 0.00 0.00 57.85 55.07 2rpi n ARG 72 Cb 0.28 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 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 1.46 0.08 1.93 -0.13 0.00 -0.98 -3.65 105.19 103.89 2rpi n GLY 73 Ca 0.20 0.00 -0.01 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 -2.05 -1.33 -4.22 1.61 7.02 -0.90 -5.03 117.44 112.54 2rpi n TRP 74 Ca 0.00 0.57 -0.13 0.00 -1.02 0.00 0.00 57.50 56.92 2rpi n TRP 74 Cb 0.23 -2.38 -0.10 0.00 -2.42 0.00 0.00 31.31 26.64 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 -0.90 1.23 0.63 -0.99 3.00 -1.24 -3.74 118.95 116.94 2rpi s ARG 75 Ca 0.03 -1.65 -0.04 0.00 0.00 0.00 0.00 55.73 54.07 2rpi s ARG 75 Cb -0.01 0.17 0.04 0.00 0.00 0.00 0.00 34.95 35.15 2rpi s ARG 75 CO 0.27 -0.37 0.91 0.95 0.00 0.00 0.00 175.30 177.06 2rpi s THR 76 N -4.08 2.77 -0.92 0.02 -4.23 0.29 -4.67 115.64 104.81 2rpi s THR 76 Ca 0.38 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2rpi s THR 76 Cb 0.07 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2rpi s THR 76 CO 0.12 -0.12 0.95 0.00 -0.54 0.00 0.00 174.62 175.03 2rpi n ALA 77 N -2.65 0.92 -0.06 3.99 0.00 -1.26 -1.20 120.51 120.24 2rpi n ALA 77 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 2rpi n ALA 77 Cb 0.59 -0.91 -0.13 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.45 0.68 0.00 0.00 2.13 -1.26 -5.00 120.64 115.74 2rpi n GLU 78 Ca 0.00 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2rpi n GLU 78 Cb 0.04 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.10 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 1.87 -0.24 3.92 8.31 0.00 -0.34 -5.14 105.19 113.56 2rpi n GLY 79 Ca -0.37 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 3.46 0.90 1.61 -2.85 -1.26 -4.72 119.74 116.87 2rpi s LYS 80 Ca 0.00 -0.40 -0.16 0.00 -1.00 0.00 0.00 55.97 54.41 2rpi s LYS 80 Cb 0.00 -3.03 -0.08 0.00 -2.06 0.00 0.00 37.83 32.66 2rpi s LYS 80 CO 0.00 0.60 -0.20 -2.30 0.10 0.00 0.00 175.35 173.55 2rpi n PRO 81 N 0.33 -0.05 -3.15 1.78 -0.02 -1.26 0.10 135.00 132.73 2rpi n PRO 81 Ca -0.05 0.01 -0.39 0.00 -2.02 0.00 0.00 63.50 61.04 2rpi n PRO 81 Cb 0.51 -1.37 -0.06 0.00 -0.02 0.00 0.00 33.50 32.57 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 -2.11 4.67 0.33 -1.45 1.01 -1.25 -4.27 120.40 117.34 2rpi s VAL 82 Ca 0.50 1.39 -0.16 0.00 0.00 0.00 0.00 61.98 63.71 2rpi s VAL 82 Cb -0.24 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2rpi s VAL 82 CO 0.73 0.50 0.76 -0.54 0.00 0.00 0.00 175.10 176.55 2rpi s LYS 83 N -0.83 4.04 0.00 2.72 -0.14 -1.26 -3.52 119.74 120.74 2rpi s LYS 83 Ca 0.32 0.73 0.00 0.00 -1.36 0.00 0.00 55.97 55.66 2rpi s LYS 83 Cb -0.20 -2.43 0.00 0.00 -1.68 0.00 0.00 37.83 33.52 2rpi s LYS 83 CO 0.21 0.15 0.00 0.09 -0.76 0.00 0.00 175.35 175.04 2rpi n ASN 84 N -0.34 -3.63 -0.00 2.83 5.03 -1.26 -4.81 115.26 113.08 2rpi n ASN 84 Ca 0.04 0.00 0.21 0.00 0.87 0.00 0.00 54.58 55.69 2rpi n ASN 84 Cb 0.53 -2.13 0.49 0.00 -1.02 0.00 0.00 39.78 37.65 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 0.01 3.52 -0.00 -1.99 1.11 114.38 117.62 2rpi h ARG 85 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 59.98 59.74 2rpi h ARG 85 Cb 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.45 2rpi h ARG 85 CO 0.00 0.00 -0.96 0.22 -0.00 0.00 0.00 179.97 179.23 2rpi h ASP 86 N 0.00 0.83 -0.29 0.08 3.58 -1.89 0.17 116.42 118.90 2rpi h ASP 86 Ca 0.29 -0.75 -0.12 0.00 0.42 0.00 0.00 57.03 56.88 2rpi h ASP 86 Cb 2.09 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 42.88 2rpi h ASP 86 CO -0.00 1.47 -0.28 -0.07 -2.88 0.00 0.00 179.24 177.48 2rpi h LEU 87 N 0.28 0.75 0.69 2.28 3.38 0.82 -2.27 115.31 121.24 2rpi h LEU 87 Ca -0.12 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.35 2rpi h LEU 87 Cb 1.62 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 42.17 2rpi h LEU 87 CO 0.19 1.06 -0.33 -0.50 0.09 0.00 0.00 178.44 178.95 2rpi h TRP 88 N 0.45 -0.86 -1.01 1.13 4.06 -1.12 0.50 115.95 119.09 2rpi h TRP 88 Ca 0.05 -0.02 0.28 0.00 2.06 0.00 0.00 58.89 61.26 2rpi h TRP 88 Cb 0.84 0.28 -0.05 0.00 -1.00 0.00 0.00 29.16 29.24 2rpi h TRP 88 CO 0.07 -0.53 0.71 0.93 -3.56 0.00 0.00 178.44 176.06 2rpi h GLU 89 N -1.07 0.11 0.15 0.49 5.08 -0.72 1.31 114.58 119.93 2rpi h GLU 89 Ca -0.09 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.01 2rpi h GLU 89 Cb 0.71 -0.03 0.03 0.00 0.50 0.00 0.00 28.75 29.96 2rpi h GLU 89 CO 0.16 0.07 -1.08 0.00 -1.00 0.00 0.00 179.01 177.16 2rpi h ALA 90 N 1.53 -0.06 -0.47 3.43 0.00 -1.21 -2.51 119.26 119.96 2rpi h ALA 90 Ca 0.51 -0.74 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2rpi h ALA 90 Cb 1.79 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 2rpi h ALA 90 CO -0.08 0.54 -0.02 1.25 0.00 0.00 0.00 179.25 180.94 2rpi h LEU 91 N -0.02 0.75 -0.63 0.00 6.46 0.37 0.32 115.31 122.58 2rpi h LEU 91 Ca -0.18 -0.19 -0.04 0.00 -0.12 0.00 0.00 57.88 57.36 2rpi h LEU 91 Cb 1.81 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 41.51 2rpi h LEU 91 CO 0.20 0.83 0.23 0.25 -0.62 0.00 0.00 178.44 179.34 2rpi h LEU 92 N 0.73 0.88 -0.89 2.25 5.85 0.15 0.81 115.31 125.08 2rpi h LEU 92 Ca 0.14 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 2rpi h LEU 92 Cb 0.47 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2rpi h LEU 92 CO 0.02 0.82 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.65 2rpi h LEU 93 N 0.88 0.56 0.00 2.25 3.38 -1.04 -2.16 115.31 119.18 2rpi h LEU 93 Ca 0.21 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2rpi h LEU 93 Cb 0.23 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2rpi h LEU 93 CO -0.01 0.79 -0.08 0.00 0.09 0.00 0.00 178.44 179.22 2rpi n ALA 94 N -2.49 2.39 1.05 1.53 0.00 0.07 -3.19 120.51 119.86 2rpi n ALA 94 Ca -0.00 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.50 2rpi n ALA 94 Cb 0.40 -1.43 0.26 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.11 2.13 -0.02 0.00 2.81 0.28 -4.26 117.12 115.94 2rpi n MET 95 Ca 0.06 -1.66 -0.11 0.00 -1.81 0.00 0.00 57.70 54.18 2rpi n MET 95 Cb 0.41 -1.47 -0.09 0.00 -0.71 0.00 0.00 33.22 31.37 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 4.53 -0.07 -0.18 3.04 0.00 -1.43 -3.33 119.26 121.81 2rpi h ALA 96 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2rpi h ALA 96 Cb 0.82 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2rpi h ALA 96 CO 0.00 -0.13 -0.21 -1.35 0.00 0.00 0.00 179.25 177.56 2rpi h PRO 97 N -0.89 0.32 -6.95 0.00 0.11 -1.77 -3.45 132.00 119.37 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 0.64 -0.03 0.05 0.00 0.11 0.00 0.00 31.00 31.77 2rpi h PRO 97 CO 0.01 0.52 0.06 -1.01 -0.21 0.00 0.00 178.00 177.37 2rpi s HIS 98 N -4.56 3.18 -2.48 0.65 3.76 -1.25 -4.58 115.29 110.01 2rpi s HIS 98 Ca -0.06 0.42 0.23 0.00 -0.15 0.00 0.00 55.06 55.50 2rpi s HIS 98 Cb 0.15 -2.62 0.10 0.00 1.11 0.00 0.00 32.58 31.31 2rpi s HIS 98 CO 0.76 -0.70 1.16 0.54 -0.85 0.00 0.00 174.74 175.64 2rpi n ARG 99 N -2.40 1.79 0.00 1.40 3.00 -1.18 -4.90 116.66 114.36 2rpi n ARG 99 Ca 0.04 -1.48 0.00 0.00 -0.01 0.00 0.00 57.85 56.40 2rpi n ARG 99 Cb 0.58 -1.45 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 0.71 0.00 -3.63 1.55 3.14 -1.21 -4.75 118.33 114.14 2rpi n VAL 100 Ca 0.11 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.19 2rpi n VAL 100 Cb 0.52 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.26 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 3.61 -0.17 1.45 0.52 0.13 -4.86 118.95 119.63 2rpi s ARG 101 Ca 0.00 -0.11 -0.04 0.00 -0.52 0.00 0.00 55.73 55.06 2rpi s ARG 101 Cb 0.00 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 2rpi s ARG 101 CO 0.00 0.42 -0.02 -0.06 0.02 0.00 0.00 175.30 175.66 2rpi s PHE 102 N -1.75 3.03 -0.40 -0.53 0.40 -1.26 -1.76 117.98 115.71 2rpi s PHE 102 Ca 0.41 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.41 2rpi s PHE 102 Cb -0.12 -2.00 0.14 0.00 0.51 0.00 0.00 43.02 41.55 2rpi s PHE 102 CO 0.26 -0.10 0.24 -1.01 0.70 0.00 0.00 175.22 175.30 2rpi s HIS 103 N 0.57 1.39 -0.61 0.36 3.76 -0.54 -4.95 115.29 115.26 2rpi s HIS 103 Ca -0.02 -2.07 -0.26 0.00 -0.15 0.00 0.00 55.06 52.56 2rpi s HIS 103 Cb -0.14 -1.41 -0.03 0.00 1.11 0.00 0.00 32.58 32.11 2rpi s HIS 103 CO 0.02 -0.80 1.99 -0.06 -0.85 0.00 0.00 174.74 175.04 2rpi s PHE 104 N 0.63 1.54 -1.15 1.40 0.08 -1.26 -2.19 117.98 117.02 2rpi s PHE 104 Ca 0.19 0.96 -0.10 0.00 0.12 0.00 0.00 56.93 58.10 2rpi s PHE 104 Cb -0.22 -3.97 0.24 0.00 -0.57 0.00 0.00 43.02 38.51 2rpi s PHE 104 CO -0.01 -2.30 1.28 0.28 -0.10 0.00 0.00 175.22 174.37 2rpi n VAL 105 N 7.44 4.52 0.49 -0.44 0.31 -1.23 -4.93 118.33 124.50 2rpi n VAL 105 Ca 0.25 -5.18 0.06 0.00 -0.01 0.00 0.00 64.34 59.46 2rpi n VAL 105 Cb 0.52 -2.50 0.05 0.00 -0.91 0.00 0.00 33.84 31.00 2rpi n VAL 105 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80