#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 -0.03 -4.27 7.83 2.85 -1.26 -4.90 115.26 115.48 2rpi n ASN 2 Ca 0.00 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.12 2rpi n ASN 2 Cb 0.00 -0.02 0.07 0.00 1.24 0.00 0.00 39.78 41.07 2rpi n ASN 2 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2rpi n PRO 3 N -2.47 0.00 0.04 1.20 -0.02 -1.26 -4.92 135.00 127.57 2rpi n PRO 3 Ca -0.00 0.03 -0.12 0.00 -2.02 0.00 0.00 63.50 61.38 2rpi n PRO 3 Cb 0.00 -1.45 -0.14 0.00 -0.02 0.00 0.00 33.50 31.90 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 -0.85 0.19 0.00 2.55 0.02 -2.02 -3.41 113.55 110.03 2rpi h SER 4 Ca -0.44 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 2rpi h SER 4 Cb 1.33 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2rpi h SER 4 CO 0.34 1.24 0.00 -2.65 -1.14 0.00 0.00 176.83 174.61 2rpi n PRO 5 N -3.32 0.00 0.14 3.45 -0.02 -1.26 -4.91 135.00 129.08 2rpi n PRO 5 Ca -0.13 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2rpi n PRO 5 Cb 1.02 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 33.35 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 -1.19 0.00 -3.15 -0.52 1.74 -1.26 -5.10 116.66 107.17 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 -0.01 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 -1.75 0.07 -0.11 5.56 2.47 -1.26 -4.84 119.74 119.88 2rpi s LYS 7 Ca 0.00 0.09 -0.30 0.00 -1.56 0.00 0.00 55.97 54.21 2rpi s LYS 7 Cb 0.00 0.05 -0.02 0.00 -1.46 0.00 0.00 37.83 36.40 2rpi s LYS 7 CO 0.00 -0.11 1.11 0.50 0.16 0.00 0.00 175.35 177.02 2rpi s ARG 8 N 2.98 4.35 -0.13 4.03 3.52 -1.26 -1.65 118.95 130.79 2rpi s ARG 8 Ca 0.14 1.52 -0.02 0.00 -0.13 0.00 0.00 55.73 57.24 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 -0.16 -0.45 -0.04 0.08 -0.81 0.00 0.00 175.30 173.92 2rpi s VAL 9 N 2.42 3.88 -1.07 7.11 1.01 -0.55 -4.93 120.40 128.26 2rpi s VAL 9 Ca 0.51 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 2rpi s VAL 9 Cb -0.21 -2.67 0.20 0.00 0.00 0.00 0.00 36.38 33.70 2rpi s VAL 9 CO 0.17 0.53 1.20 0.00 0.00 0.00 0.00 175.10 177.00 2rpi s ALA 10 N -0.04 4.06 -0.32 5.51 0.00 -1.26 0.11 121.76 129.82 2rpi s ALA 10 Ca 0.01 -3.35 -0.14 0.00 0.00 0.00 0.00 51.96 48.48 2rpi s ALA 10 Cb -0.13 -3.89 -0.02 0.00 0.00 0.00 0.00 23.12 19.07 2rpi s ALA 10 CO 0.03 -2.61 0.30 -1.17 0.00 0.00 0.00 175.76 172.31 2rpi s LEU 11 N 0.93 4.31 -0.45 0.00 0.20 -1.21 -4.99 118.68 117.47 2rpi s LEU 11 Ca 0.34 -0.14 -0.18 0.00 0.69 0.00 0.00 54.13 54.84 2rpi s LEU 11 Cb -0.06 -2.27 0.04 0.00 -0.43 0.00 0.00 46.19 43.47 2rpi s LEU 11 CO -0.05 -0.24 0.48 -0.36 -0.29 0.00 0.00 176.35 175.89 2rpi s PHE 12 N 1.91 3.15 -1.02 5.38 0.40 -1.26 -0.60 117.98 125.95 2rpi s PHE 12 Ca 0.10 -0.46 -0.25 0.00 -0.60 0.00 0.00 56.93 55.72 2rpi s PHE 12 Cb -0.16 -3.07 -0.13 0.00 0.51 0.00 0.00 43.02 40.16 2rpi s PHE 12 CO 0.11 -0.79 2.09 0.95 0.70 0.00 0.00 175.22 178.28 2rpi s THR 13 N 2.20 3.26 -0.59 0.64 -4.23 -0.27 -4.71 115.64 111.94 2rpi s THR 13 Ca 0.12 -0.36 0.03 0.00 -1.18 0.00 0.00 61.69 60.30 2rpi s THR 13 Cb -0.18 -3.98 0.38 0.00 1.34 0.00 0.00 72.50 70.06 2rpi s THR 13 CO 0.13 -0.50 1.28 -0.90 -0.54 0.00 0.00 174.62 174.08 2rpi n ASP 14 N 16.82 5.34 0.00 3.99 5.75 -1.26 -4.66 116.55 142.52 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 -0.65 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 -0.39 0.00 0.48 6.12 0.00 -1.26 -4.93 105.19 105.21 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 -1.95 0.00 -1.66 4.61 0.00 -1.26 -5.01 120.51 115.24 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 -2.68 -3.05 -0.31 0.00 0.00 -1.26 -5.02 120.51 108.19 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 -4.76 117.00 106.50 2rpi n LEU 18 Ca 0.00 -0.05 -0.37 0.00 -0.00 0.00 0.00 56.01 55.60 2rpi n LEU 18 Cb 0.02 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.49 2rpi n LEU 18 CO 0.06 0.31 -0.15 0.61 -0.00 0.00 0.00 177.39 178.22 2rpi n GLY 19 N 0.00 -2.03 0.32 1.47 0.00 -1.26 -4.70 105.19 98.99 2rpi n GLY 19 Ca 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.32 -0.52 0.21 1.61 -0.73 -2.02 0.45 115.58 114.26 2rpi h ASN 20 Ca -0.45 0.25 -0.01 0.00 1.87 0.00 0.00 56.30 57.97 2rpi h ASN 20 Cb 1.36 0.46 0.00 0.00 0.27 0.00 0.00 38.32 40.42 2rpi h ASN 20 CO 0.41 -0.29 -0.10 -0.65 -0.37 0.00 0.00 177.43 176.43 2rpi h PRO 21 N 0.04 -0.28 0.00 6.67 0.11 -2.04 -3.50 132.00 133.01 2rpi h PRO 21 Ca 0.51 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.64 2rpi h PRO 21 Cb 0.95 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2rpi h PRO 21 CO -0.85 -0.10 0.00 0.41 -0.21 0.00 0.00 178.00 177.26 2rpi n GLY 22 N -0.90 2.91 0.10 -0.55 0.00 0.16 -4.79 105.19 102.12 2rpi n GLY 22 Ca -0.09 -1.96 0.04 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.42 0.05 0.00 1.61 -0.02 -1.26 -3.21 135.00 130.75 2rpi n PRO 23 Ca 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2rpi n PRO 23 Cb 0.00 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.28 0.00 0.00 -1.23 0.00 -1.26 -3.54 105.19 97.88 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 -0.86 0.00 0.08 2.61 5.66 -1.22 -5.01 114.28 115.54 2rpi n THR 25 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 2rpi n THR 25 Cb 0.36 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.06 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 -0.51 1.09 1.35 -1.59 -2.29 112.91 112.36 2rpi h THR 26 Ca 0.00 -2.60 0.01 0.00 -0.55 0.00 0.00 66.41 63.27 2rpi h THR 26 Cb 0.00 2.60 -0.03 0.00 -1.73 0.00 0.00 68.15 68.99 2rpi h THR 26 CO 0.00 0.77 0.34 -1.13 -0.25 0.00 0.00 175.52 175.25 2rpi h ASN 27 N 0.20 0.58 -0.61 5.36 -0.00 -1.78 1.90 115.58 121.24 2rpi h ASN 27 Ca -0.11 -0.01 -0.05 0.00 -0.00 0.00 0.00 56.30 56.13 2rpi h ASN 27 Cb 1.74 -0.14 -0.03 0.00 -0.00 0.00 0.00 38.32 39.89 2rpi h ASN 27 CO 0.19 0.42 0.20 0.78 -0.00 0.00 0.00 177.43 179.02 2rpi h ASN 28 N 0.69 0.88 -0.50 1.15 2.35 -1.81 0.86 115.58 119.20 2rpi h ASN 28 Ca 0.19 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.62 2rpi h ASN 28 Cb -0.07 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 2rpi h ASN 28 CO -0.05 0.85 -0.13 -0.09 -1.65 0.00 0.00 177.43 176.36 2rpi h ARG 29 N 0.87 0.99 -0.52 0.81 2.43 -0.72 0.38 114.38 118.61 2rpi h ARG 29 Ca 0.20 -0.37 -0.09 0.00 -0.81 0.00 0.00 59.98 58.90 2rpi h ARG 29 Cb 0.28 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2rpi h ARG 29 CO -0.01 1.05 -0.04 0.52 -1.51 0.00 0.00 179.97 179.98 2rpi h MET 30 N 0.87 0.94 -0.29 0.20 2.86 0.36 1.32 114.93 121.19 2rpi h MET 30 Ca 0.13 -0.32 -0.07 0.00 -2.06 0.00 0.00 59.70 57.38 2rpi h MET 30 Cb 0.69 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 2rpi h MET 30 CO 0.05 0.98 -0.13 0.93 1.06 0.00 0.00 176.91 179.80 2rpi h GLU 31 N 0.81 0.49 -0.36 1.72 5.08 0.10 0.39 114.58 122.81 2rpi h GLU 31 Ca 0.14 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2rpi h GLU 31 Cb 0.58 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2rpi h GLU 31 CO 0.03 0.62 -0.43 1.25 -1.00 0.00 0.00 179.01 179.49 2rpi h LEU 32 N 0.46 1.01 -0.44 1.33 5.85 0.60 -1.34 115.31 122.77 2rpi h LEU 32 Ca 0.08 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 2rpi h LEU 32 Cb 0.50 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2rpi h LEU 32 CO 0.03 1.29 0.14 0.50 -0.34 0.00 0.00 178.44 180.06 2rpi h LYS 33 N 0.75 0.69 0.00 1.25 3.11 0.26 -1.66 116.57 120.97 2rpi h LYS 33 Ca 0.05 -0.15 -0.04 0.00 -2.81 0.00 0.00 60.65 57.70 2rpi h LYS 33 Cb 1.03 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.15 2rpi h LYS 33 CO 0.10 0.66 -0.20 0.00 -2.81 0.00 0.00 179.45 177.20 2rpi h ALA 34 N 0.99 1.53 0.43 5.00 0.00 -0.17 -2.53 119.26 124.51 2rpi h ALA 34 Ca 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2rpi h ALA 34 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2rpi h ALA 34 CO -0.01 0.25 -0.21 0.00 0.00 0.00 0.00 179.25 179.29 2rpi h ALA 35 N 1.80 -0.57 -0.97 0.00 0.00 -0.54 0.73 119.26 119.69 2rpi h ALA 35 Ca -0.00 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.94 2rpi h ALA 35 Cb 0.39 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 2rpi h ALA 35 CO 0.03 -0.60 0.62 0.97 0.00 0.00 0.00 179.25 180.27 2rpi h ILE 36 N -1.01 0.65 -0.10 0.00 -0.00 -1.24 0.64 117.51 116.45 2rpi h ILE 36 Ca -0.06 -0.18 -0.22 0.00 -0.00 0.00 0.00 64.86 64.40 2rpi h ILE 36 Cb 0.55 0.08 0.01 0.00 -0.00 0.00 0.00 36.82 37.45 2rpi h ILE 36 CO 0.10 0.10 -0.80 -0.33 -0.00 0.00 0.00 178.15 177.21 2rpi h GLU 37 N 0.53 0.63 0.00 2.19 4.39 -1.36 0.86 114.58 121.83 2rpi h GLU 37 Ca 0.54 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2rpi h GLU 37 Cb 1.15 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2rpi h GLU 37 CO -0.27 1.16 0.00 0.41 -1.16 0.00 0.00 179.01 179.15 2rpi n GLY 38 N 0.71 -0.79 0.00 -3.84 0.00 0.25 0.27 105.19 101.78 2rpi n GLY 38 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.18 0.00 -0.04 0.99 4.77 0.24 -4.66 117.00 117.12 2rpi n LEU 39 Ca 0.11 -0.14 0.02 0.00 -0.03 0.00 0.00 56.01 55.96 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 0.13 0.00 -0.88 1.17 -1.33 0.00 0.00 177.39 176.48 2rpi n LYS 40 N -1.11 0.67 -0.08 3.23 4.81 0.29 -3.52 118.16 122.44 2rpi n LYS 40 Ca 0.00 -0.09 0.06 0.00 -0.87 0.00 0.00 58.31 57.41 2rpi n LYS 40 Cb 0.00 -1.55 0.22 0.00 0.02 0.00 0.00 35.03 33.73 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 -2.47 2.50 0.06 3.14 0.00 0.14 -4.23 120.51 119.65 2rpi n ALA 41 Ca -0.16 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2rpi n ALA 41 Cb 0.83 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 1.03 -1.21 0.00 4.77 -1.26 -5.00 117.00 115.32 2rpi n LEU 42 Ca 0.10 0.16 -0.16 0.00 -0.03 0.00 0.00 56.01 56.08 2rpi n LEU 42 Cb 0.18 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 2rpi n LEU 42 CO 0.07 -0.76 -0.15 0.29 -1.33 0.00 0.00 177.39 175.51 2rpi n LYS 43 N -3.49 -1.46 -3.49 3.23 5.02 -1.23 -4.93 118.16 111.81 2rpi n LYS 43 Ca 0.00 1.05 -0.42 0.00 -2.02 0.00 0.00 58.31 56.92 2rpi n LYS 43 Cb 0.00 -5.39 -0.07 0.00 -0.02 0.00 0.00 35.03 29.55 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 -3.31 2.74 -0.71 1.97 0.41 -1.26 -5.02 118.70 113.52 2rpi s GLU 44 Ca 0.00 -1.94 -0.37 0.00 -0.41 0.00 0.00 54.97 52.25 2rpi s GLU 44 Cb 0.00 -4.05 -0.20 0.00 -1.78 0.00 0.00 34.13 28.11 2rpi s GLU 44 CO 0.00 -1.23 2.40 -2.30 -0.49 0.00 0.00 175.26 173.63 2rpi n PRO 45 N 4.68 0.09 -3.97 0.39 -0.02 -1.26 -4.89 135.00 130.03 2rpi n PRO 45 Ca -0.04 0.02 -0.09 0.00 -2.02 0.00 0.00 63.50 61.37 2rpi n PRO 45 Cb 0.41 -1.61 -0.10 0.00 -0.02 0.00 0.00 33.50 32.18 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 7.58 0.10 -1.26 3.55 0.00 -1.26 -4.55 121.76 125.91 2rpi s ALA 46 Ca 1.26 -0.74 -0.16 0.00 0.00 0.00 0.00 51.96 52.32 2rpi s ALA 46 Cb -1.32 0.26 0.12 0.00 0.00 0.00 0.00 23.12 22.18 2rpi s ALA 46 CO 0.56 -0.33 1.60 0.39 0.00 0.00 0.00 175.76 177.99 2rpi n GLU 47 N 0.63 3.28 -2.48 0.00 1.02 -0.66 -2.92 120.64 119.51 2rpi n GLU 47 Ca -0.18 -3.54 -0.43 0.00 -0.02 0.00 0.00 57.16 52.99 2rpi n GLU 47 Cb 0.59 -3.29 -0.02 0.00 -0.02 0.00 0.00 31.44 28.70 2rpi n GLU 47 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2rpi s VAL 48 N 2.98 4.06 -1.40 2.62 1.01 -1.26 -1.49 120.40 126.93 2rpi s VAL 48 Ca 0.49 1.09 -0.15 0.00 0.00 0.00 0.00 61.98 63.40 2rpi s VAL 48 Cb 0.01 -4.41 0.04 0.00 0.00 0.00 0.00 36.38 32.02 2rpi s VAL 48 CO 0.04 -0.88 2.08 -0.67 0.00 0.00 0.00 175.10 175.67 2rpi n ASP 49 N 8.29 4.16 -4.59 3.32 -0.08 0.29 0.00 116.55 127.95 2rpi n ASP 49 Ca 0.14 -2.86 -0.42 0.00 -1.51 0.00 0.00 54.79 50.14 2rpi n ASP 49 Cb 0.48 -1.68 -0.03 0.00 2.34 0.00 0.00 41.12 42.24 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 2.85 3.46 -0.50 -2.67 0.20 -0.85 -3.34 118.68 117.82 2rpi s LEU 50 Ca 0.49 1.23 -0.23 0.00 0.69 0.00 0.00 54.13 56.31 2rpi s LEU 50 Cb 0.11 -3.28 0.04 0.00 -0.43 0.00 0.00 46.19 42.62 2rpi s LEU 50 CO -0.03 -1.94 0.82 -0.31 -0.29 0.00 0.00 176.35 174.60 2rpi s TYR 51 N 7.84 2.92 -0.25 5.38 1.51 0.24 -1.55 117.35 133.44 2rpi s TYR 51 Ca 0.82 -0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.90 2rpi s TYR 51 Cb -0.22 -3.80 0.05 0.00 -0.11 0.00 0.00 41.96 37.88 2rpi s TYR 51 CO 0.31 -1.13 -0.12 -0.08 -1.11 0.00 0.00 175.55 173.42 2rpi s THR 52 N 3.44 2.14 -0.51 -0.71 -1.32 -0.94 -1.11 115.64 116.63 2rpi s THR 52 Ca 0.28 -1.52 -0.02 0.00 -1.21 0.00 0.00 61.69 59.22 2rpi s THR 52 Cb -0.13 -2.20 0.32 0.00 -1.51 0.00 0.00 72.50 68.97 2rpi s THR 52 CO 0.20 0.05 2.07 -0.90 -2.21 0.00 0.00 174.62 173.83 2rpi n ASP 53 N 4.46 7.10 -4.91 8.08 5.75 -1.26 -3.66 116.55 132.11 2rpi n ASP 53 Ca -0.15 -3.44 -0.25 0.00 -0.01 0.00 0.00 54.79 50.94 2rpi n ASP 53 Cb 0.43 -1.03 -0.03 0.00 -1.03 0.00 0.00 41.12 39.46 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 -0.80 6.14 0.00 -1.12 0.01 -1.26 -4.91 113.70 111.76 2rpi s SER 54 Ca 0.49 0.07 0.22 0.00 1.31 0.00 0.00 55.95 58.05 2rpi s SER 54 Cb 0.38 -1.79 0.56 0.00 0.21 0.00 0.00 66.02 65.38 2rpi s SER 54 CO -0.04 0.03 1.46 1.41 0.41 0.00 0.00 173.24 176.51 2rpi n HIS 55 N -0.70 0.34 -0.07 2.43 8.25 -1.26 -3.56 115.22 120.66 2rpi n HIS 55 Ca -0.08 -0.17 -0.13 0.00 -0.26 0.00 0.00 57.72 57.08 2rpi n HIS 55 Cb 0.55 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.61 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 0.96 0.00 0.03 4.41 9.36 -1.26 -4.18 117.16 126.48 2rpi n TYR 56 Ca 0.18 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.27 2rpi n TYR 56 Cb 0.48 -0.48 -0.08 0.00 -0.63 0.00 0.00 39.34 38.63 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 -0.39 -0.03 0.53 2.98 4.07 -1.92 -2.33 115.31 118.21 2rpi h LEU 57 Ca -0.33 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 57.43 2rpi h LEU 57 Cb 1.32 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 43.06 2rpi h LEU 57 CO -0.18 0.17 -0.38 0.50 -1.08 0.00 0.00 178.44 177.47 2rpi h LYS 58 N -0.23 -0.85 -0.81 1.13 3.64 -1.84 -2.65 116.57 114.96 2rpi h LYS 58 Ca -0.00 0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.57 2rpi h LYS 58 Cb 0.21 0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 32.08 2rpi h LYS 58 CO 0.01 -0.57 -0.32 -0.22 -2.27 0.00 0.00 179.45 176.07 2rpi h LYS 59 N -0.89 -0.06 0.06 1.90 3.64 -1.72 0.81 116.57 120.32 2rpi h LYS 59 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2rpi h LYS 59 Cb 0.74 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 2rpi h LYS 59 CO 0.02 -0.04 -0.21 0.00 -2.27 0.00 0.00 179.45 176.95 2rpi h ALA 60 N 1.36 -0.75 -0.61 5.00 0.00 -1.08 0.16 119.26 123.35 2rpi h ALA 60 Ca 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2rpi h ALA 60 Cb 0.59 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2rpi h ALA 60 CO -0.85 -0.80 0.30 0.74 0.00 0.00 0.00 179.25 178.65 2rpi h PHE 61 N -0.31 0.87 0.00 0.00 0.04 -1.13 -2.53 116.94 113.87 2rpi h PHE 61 Ca -0.00 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 2rpi h PHE 61 Cb 0.31 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 2rpi h PHE 61 CO -0.34 0.65 -0.07 1.79 -0.60 0.00 0.00 178.31 179.74 2rpi h THR 62 N 0.83 0.45 0.00 -1.55 1.35 0.79 0.75 112.91 115.53 2rpi h THR 62 Ca 0.21 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2rpi h THR 62 Cb 0.10 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2rpi h THR 62 CO -0.03 0.07 -0.02 -0.62 -0.25 0.00 0.00 175.52 174.68 2rpi n GLU 63 N -3.58 0.03 -0.29 4.72 1.02 0.55 -4.87 120.64 118.22 2rpi n GLU 63 Ca -0.02 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2rpi n GLU 63 Cb 0.19 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 1.48 0.00 0.31 0.62 0.00 0.26 -4.64 105.19 103.22 2rpi n GLY 64 Ca 0.07 0.00 0.02 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 -0.57 0.21 0.07 1.61 2.14 -1.26 -3.76 117.44 115.89 2rpi n TRP 65 Ca 0.00 -0.10 0.07 0.00 2.07 0.00 0.00 57.50 59.54 2rpi n TRP 65 Cb 0.05 -0.02 0.51 0.00 -0.81 0.00 0.00 31.31 31.04 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 0.85 0.29 -0.23 5.67 6.46 -1.82 0.58 115.31 127.10 2rpi h LEU 66 Ca 0.00 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2rpi h LEU 66 Cb 0.25 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2rpi h LEU 66 CO 0.01 0.20 0.08 -0.08 -0.62 0.00 0.00 178.44 178.03 2rpi h GLU 67 N 0.34 0.36 -0.74 1.25 4.81 -1.97 -2.09 114.58 116.54 2rpi h GLU 67 Ca 0.13 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2rpi h GLU 67 Cb 0.09 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.36 2rpi h GLU 67 CO -0.03 0.43 0.43 0.78 -0.73 0.00 0.00 179.01 179.89 2rpi h GLY 68 N 0.21 1.10 -0.65 1.92 0.00 -0.62 -1.46 103.07 103.57 2rpi h GLY 68 Ca 0.08 -0.30 0.13 0.00 0.00 0.00 0.00 47.33 47.23 2rpi h GLY 68 CO -0.00 0.18 -0.35 1.49 0.00 0.00 0.00 176.54 177.86 2rpi h TRP 69 N 0.78 -0.96 -0.77 5.60 4.06 0.63 1.93 115.95 127.23 2rpi h TRP 69 Ca 0.33 0.08 0.09 0.00 2.06 0.00 0.00 58.89 61.46 2rpi h TRP 69 Cb 0.20 0.53 -0.07 0.00 -1.00 0.00 0.00 29.16 28.82 2rpi h TRP 69 CO -0.06 -0.39 0.42 0.00 -3.56 0.00 0.00 178.44 174.85 2rpi h ARG 70 N -0.09 0.69 0.00 0.49 3.08 -1.00 0.31 114.38 117.85 2rpi h ARG 70 Ca 0.28 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2rpi h ARG 70 Cb 0.57 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2rpi h ARG 70 CO -0.81 0.46 0.00 1.63 -1.07 0.00 0.00 179.97 180.18 2rpi n LYS 71 N -4.79 0.20 -0.31 0.04 4.01 0.22 -3.00 118.16 114.54 2rpi n LYS 71 Ca 0.12 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 58.03 2rpi n LYS 71 Cb 0.27 -1.50 0.27 0.00 -0.51 0.00 0.00 35.03 33.56 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 -1.40 2.43 -0.75 1.97 1.74 0.59 -4.89 116.66 116.36 2rpi n ARG 72 Ca 0.10 -2.23 0.00 0.00 -0.77 0.00 0.00 57.85 54.96 2rpi n ARG 72 Cb 0.29 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 1.49 0.03 1.96 -0.13 0.00 -0.98 -3.62 105.19 103.94 2rpi n GLY 73 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.02 -1.43 -4.18 1.61 7.02 -0.90 -5.02 117.44 112.52 2rpi n TRP 74 Ca 0.00 0.62 -0.11 0.00 -1.02 0.00 0.00 57.50 56.99 2rpi n TRP 74 Cb 0.23 -2.45 -0.10 0.00 -2.42 0.00 0.00 31.31 26.58 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 1.19 0.59 -0.99 3.00 -1.24 -3.69 118.95 116.91 2rpi s ARG 75 Ca 0.03 -1.57 -0.04 0.00 0.00 0.00 0.00 55.73 54.14 2rpi s ARG 75 Cb -0.01 0.28 0.02 0.00 0.00 0.00 0.00 34.95 35.25 2rpi s ARG 75 CO 0.29 -0.39 0.88 0.95 0.00 0.00 0.00 175.30 177.03 2rpi s THR 76 N -4.13 3.26 -0.14 0.02 -4.23 0.33 -4.69 115.64 106.06 2rpi s THR 76 Ca 0.36 -0.21 0.11 0.00 -1.18 0.00 0.00 61.69 60.77 2rpi s THR 76 Cb 0.06 -3.30 0.11 0.00 1.34 0.00 0.00 72.50 70.71 2rpi s THR 76 CO 0.10 -0.28 1.21 0.00 -0.54 0.00 0.00 174.62 175.11 2rpi n ALA 77 N -2.57 0.65 -0.03 3.99 0.00 -1.26 -0.39 120.51 120.91 2rpi n ALA 77 Ca 0.05 0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 2rpi n ALA 77 Cb 0.58 -0.79 -0.13 0.00 0.00 0.00 0.00 19.45 19.12 2rpi n ALA 77 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2rpi h GLU 78 N 0.00 0.18 0.00 0.00 4.81 -2.00 -3.48 114.58 114.09 2rpi h GLU 78 Ca 0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2rpi h GLU 78 Cb 0.51 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2rpi h GLU 78 CO 0.00 1.15 0.00 0.41 -0.73 0.00 0.00 179.01 179.84 2rpi n GLY 79 N 1.79 -0.17 3.91 1.92 0.00 0.48 -5.14 105.19 107.98 2rpi n GLY 79 Ca -0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 0.93 1.61 -2.85 -1.26 -4.71 119.74 116.93 2rpi s LYS 80 Ca 0.00 -0.37 -0.16 0.00 -1.00 0.00 0.00 55.97 54.44 2rpi s LYS 80 Cb 0.00 -3.02 -0.10 0.00 -2.06 0.00 0.00 37.83 32.65 2rpi s LYS 80 CO 0.00 0.60 -0.42 -2.30 0.10 0.00 0.00 175.35 173.33 2rpi n PRO 81 N 0.36 -0.04 -3.24 1.78 -0.02 -1.26 0.12 135.00 132.69 2rpi n PRO 81 Ca -0.05 -0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.04 2rpi n PRO 81 Cb 0.51 -1.23 -0.06 0.00 -0.02 0.00 0.00 33.50 32.71 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 -2.08 4.77 0.26 -1.45 1.01 -1.24 -4.21 120.40 117.46 2rpi s VAL 82 Ca 0.47 1.25 -0.19 0.00 0.00 0.00 0.00 61.98 63.50 2rpi s VAL 82 Cb -0.23 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 2rpi s VAL 82 CO 0.77 0.51 0.74 -0.54 0.00 0.00 0.00 175.10 176.58 2rpi s LYS 83 N -0.84 4.20 0.00 2.72 -0.14 -1.26 -3.48 119.74 120.93 2rpi s LYS 83 Ca 0.30 0.84 0.00 0.00 -1.36 0.00 0.00 55.97 55.75 2rpi s LYS 83 Cb -0.19 -2.74 0.00 0.00 -1.68 0.00 0.00 37.83 33.21 2rpi s LYS 83 CO 0.19 0.32 0.00 0.09 -0.76 0.00 0.00 175.35 175.19 2rpi n ASN 84 N 0.40 -2.49 -0.05 2.83 5.03 -1.26 -4.84 115.26 114.88 2rpi n ASN 84 Ca -0.00 0.00 0.23 0.00 0.87 0.00 0.00 54.58 55.67 2rpi n ASN 84 Cb 0.52 -1.32 0.51 0.00 -1.02 0.00 0.00 39.78 38.46 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 1.14 0.00 0.10 3.52 -0.00 -1.98 1.27 114.38 118.42 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 0.22 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 30.22 2rpi h ARG 85 CO 0.00 0.00 -1.16 0.22 -0.00 0.00 0.00 179.97 179.03 2rpi h ASP 86 N 0.00 0.85 -0.25 0.08 3.58 -1.89 0.61 116.42 119.40 2rpi h ASP 86 Ca 0.34 -0.82 -0.12 0.00 0.42 0.00 0.00 57.03 56.86 2rpi h ASP 86 Cb 2.22 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 43.00 2rpi h ASP 86 CO -0.00 1.57 -0.30 -0.07 -2.88 0.00 0.00 179.24 177.56 2rpi h LEU 87 N 0.23 0.69 0.72 2.28 3.38 0.11 -2.24 115.31 120.49 2rpi h LEU 87 Ca -0.17 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.27 2rpi h LEU 87 Cb 1.84 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 42.40 2rpi h LEU 87 CO 0.22 1.05 -0.35 -0.50 0.09 0.00 0.00 178.44 178.95 2rpi h TRP 88 N 0.36 -0.90 -0.82 1.13 4.06 -0.92 0.89 115.95 119.76 2rpi h TRP 88 Ca 0.03 -0.02 0.24 0.00 2.06 0.00 0.00 58.89 61.20 2rpi h TRP 88 Cb 0.87 0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 29.29 2rpi h TRP 88 CO 0.08 -0.56 0.64 0.93 -3.56 0.00 0.00 178.44 175.97 2rpi h GLU 89 N -1.13 0.00 0.17 0.49 5.08 -0.95 1.39 114.58 119.62 2rpi h GLU 89 Ca -0.10 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.98 2rpi h GLU 89 Cb 0.74 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.01 2rpi h GLU 89 CO 0.16 0.00 -1.33 0.00 -1.00 0.00 0.00 179.01 176.84 2rpi h ALA 90 N 1.49 0.02 -0.40 3.43 0.00 -1.12 -2.53 119.26 120.15 2rpi h ALA 90 Ca 0.39 -0.94 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 2rpi h ALA 90 Cb 1.66 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 2rpi h ALA 90 CO -0.00 0.71 -0.07 1.25 0.00 0.00 0.00 179.25 181.14 2rpi h LEU 91 N -0.15 0.66 -0.49 0.00 6.46 0.37 0.14 115.31 122.29 2rpi h LEU 91 Ca -0.26 -0.17 -0.09 0.00 -0.12 0.00 0.00 57.88 57.25 2rpi h LEU 91 Cb 1.88 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.62 2rpi h LEU 91 CO 0.15 0.77 -0.02 0.25 -0.62 0.00 0.00 178.44 178.97 2rpi h LEU 92 N 0.63 0.87 -0.80 2.25 5.85 0.16 0.85 115.31 125.12 2rpi h LEU 92 Ca 0.12 -0.32 -0.12 0.00 0.84 0.00 0.00 57.88 58.40 2rpi h LEU 92 Cb 0.49 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2rpi h LEU 92 CO 0.03 0.98 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.65 2rpi h LEU 93 N 0.74 0.45 0.00 2.25 3.38 -1.10 -2.28 115.31 118.76 2rpi h LEU 93 Ca 0.14 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2rpi h LEU 93 Cb 0.55 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2rpi h LEU 93 CO 0.03 0.80 -0.10 0.00 0.09 0.00 0.00 178.44 179.26 2rpi n ALA 94 N -2.49 2.39 1.18 1.53 0.00 0.45 -3.25 120.51 120.32 2rpi n ALA 94 Ca -0.01 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.49 2rpi n ALA 94 Cb 0.49 -1.42 0.34 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.25 1.97 -0.01 0.00 2.81 0.29 -4.27 117.12 115.66 2rpi n MET 95 Ca 0.05 -1.42 -0.13 0.00 -1.81 0.00 0.00 57.70 54.40 2rpi n MET 95 Cb 0.43 -1.46 -0.10 0.00 -0.71 0.00 0.00 33.22 31.38 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 4.42 -0.04 -0.45 3.04 0.00 -1.48 -3.29 119.26 121.47 2rpi h ALA 96 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2rpi h ALA 96 Cb 0.70 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2rpi h ALA 96 CO 0.00 -0.23 0.13 -1.35 0.00 0.00 0.00 179.25 177.80 2rpi h PRO 97 N -0.62 0.66 -6.78 0.00 0.11 -1.79 -3.44 132.00 120.13 2rpi h PRO 97 Ca -0.00 -0.11 -0.47 0.00 0.11 0.00 0.00 66.00 65.53 2rpi h PRO 97 Cb 0.57 -0.11 0.03 0.00 0.11 0.00 0.00 31.00 31.60 2rpi h PRO 97 CO 0.01 0.58 -0.03 -1.01 -0.21 0.00 0.00 178.00 177.34 2rpi s HIS 98 N -5.22 3.32 -2.68 0.65 3.76 -1.24 -4.48 115.29 109.41 2rpi s HIS 98 Ca -0.09 0.41 0.24 0.00 -0.15 0.00 0.00 55.06 55.47 2rpi s HIS 98 Cb 0.16 -2.32 0.14 0.00 1.11 0.00 0.00 32.58 31.68 2rpi s HIS 98 CO 0.77 -0.35 1.21 0.54 -0.85 0.00 0.00 174.74 176.07 2rpi n ARG 99 N -2.15 1.95 0.00 1.40 3.00 -1.15 -4.92 116.66 114.80 2rpi n ARG 99 Ca 0.01 -1.61 0.00 0.00 -0.01 0.00 0.00 57.85 56.24 2rpi n ARG 99 Cb 0.57 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.56 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 0.88 0.00 -3.38 1.55 3.14 -1.21 -4.77 118.33 114.53 2rpi n VAL 100 Ca 0.13 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.21 2rpi n VAL 100 Cb 0.55 0.00 -0.04 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 3.65 -0.18 1.45 0.52 0.10 -4.87 118.95 119.62 2rpi s ARG 101 Ca 0.00 0.02 -0.06 0.00 -0.52 0.00 0.00 55.73 55.17 2rpi s ARG 101 Cb 0.00 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.77 2rpi s ARG 101 CO 0.00 0.25 0.02 -0.06 0.02 0.00 0.00 175.30 175.53 2rpi s PHE 102 N -2.01 3.15 -0.44 -0.53 0.08 -1.26 -2.01 117.98 114.95 2rpi s PHE 102 Ca 0.44 -0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.40 2rpi s PHE 102 Cb -0.11 -2.04 0.15 0.00 -0.57 0.00 0.00 43.02 40.45 2rpi s PHE 102 CO 0.28 0.04 0.29 -1.01 -0.10 0.00 0.00 175.22 174.72 2rpi s HIS 103 N 0.46 1.62 -0.65 0.36 3.76 -0.60 -4.95 115.29 115.29 2rpi s HIS 103 Ca 0.00 -2.30 -0.26 0.00 -0.15 0.00 0.00 55.06 52.35 2rpi s HIS 103 Cb -0.13 -1.49 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 2rpi s HIS 103 CO 0.02 -0.78 1.99 -0.06 -0.85 0.00 0.00 174.74 175.05 2rpi s PHE 104 N 0.25 1.57 -1.18 1.40 0.08 -1.26 -2.20 117.98 116.64 2rpi s PHE 104 Ca 0.22 0.94 -0.11 0.00 0.12 0.00 0.00 56.93 58.11 2rpi s PHE 104 Cb -0.15 -3.97 0.22 0.00 -0.57 0.00 0.00 43.02 38.56 2rpi s PHE 104 CO -0.07 -2.21 1.39 0.28 -0.10 0.00 0.00 175.22 174.52 2rpi n VAL 105 N 7.53 4.49 0.48 -0.44 0.31 -1.24 -4.95 118.33 124.51 2rpi n VAL 105 Ca 0.28 -5.04 0.06 0.00 -0.01 0.00 0.00 64.34 59.63 2rpi n VAL 105 Cb 0.51 -2.46 0.05 0.00 -0.91 0.00 0.00 33.84 31.03 2rpi n VAL 105 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80