#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnr h LYS 14 N 0.00 0.11 -0.30 -0.52 1.57 -2.05 0.30 116.57 115.68 2pnr h LYS 14 Ca 0.00 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 2pnr h LYS 14 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2pnr h LYS 14 CO 0.00 0.69 -0.21 1.96 -0.57 0.00 0.00 179.45 181.32 2pnr h GLN 15 N -0.45 0.68 -0.78 3.15 1.08 -2.05 -2.29 115.11 114.46 2pnr h GLN 15 Ca -0.00 -0.32 -0.00 0.00 -1.45 0.00 0.00 58.65 56.87 2pnr h GLN 15 Cb 0.70 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.09 2pnr h GLN 15 CO 0.02 0.93 0.47 0.82 -0.95 0.00 0.00 178.83 180.12 2pnr h ILE 16 N 0.43 1.21 -0.08 2.54 2.04 -1.99 0.18 117.51 121.84 2pnr h ILE 16 Ca 0.06 -0.46 -0.10 0.00 1.00 0.00 0.00 64.86 65.36 2pnr h ILE 16 Cb 0.76 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2pnr h ILE 16 CO 0.06 0.22 -0.42 -0.08 0.00 0.00 0.00 178.15 177.93 2pnr h GLU 17 N 1.06 0.18 0.17 2.37 4.22 -0.25 -1.55 114.58 120.77 2pnr h GLU 17 Ca 0.28 -0.08 -0.01 0.00 0.08 0.00 0.00 59.36 59.63 2pnr h GLU 17 Cb -0.05 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2pnr h GLU 17 CO -0.05 0.57 -0.08 -0.09 -2.18 0.00 0.00 179.01 177.17 2pnr h ARG 18 N 0.15 -0.22 -0.39 1.92 2.43 -0.44 -2.81 114.38 115.01 2pnr h ARG 18 Ca 0.01 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2pnr h ARG 18 Cb 0.80 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 2pnr h ARG 18 CO 0.06 0.20 0.13 1.88 -1.51 0.00 0.00 179.97 180.73 2pnr h TYR 19 N -0.81 0.55 0.00 2.20 0.05 -0.77 -0.70 116.97 117.49 2pnr h TYR 19 Ca -0.02 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 2pnr h TYR 19 Cb 0.52 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 2pnr h TYR 19 CO 0.08 0.46 -0.17 0.66 -1.05 0.00 0.00 178.16 178.13 2pnr h SER 20 N 0.55 0.00 0.00 3.88 4.64 -1.34 -1.15 113.55 120.13 2pnr h SER 20 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2pnr h SER 20 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2pnr h SER 20 CO -0.01 0.17 0.00 0.54 -0.87 0.00 0.00 176.83 176.66 2pnr n ARG 21 N -3.72 0.99 -3.94 4.77 1.74 -0.27 -4.69 116.66 111.53 2pnr n ARG 21 Ca -0.02 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.85 2pnr n ARG 21 Cb 0.29 -1.01 -0.03 0.00 -1.02 0.00 0.00 32.46 30.69 2pnr n ARG 21 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2pnr s PHE 22 N -2.00 3.22 -0.18 -1.55 0.40 -0.44 -5.09 117.98 112.34 2pnr s PHE 22 Ca 0.01 -0.11 -0.05 0.00 -0.60 0.00 0.00 56.93 56.18 2pnr s PHE 22 Cb 0.00 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 2pnr s PHE 22 CO 0.01 0.38 0.00 -1.54 0.70 0.00 0.00 175.22 174.77 2pnr s SER 23 N -3.95 5.00 0.87 1.36 1.04 -1.26 -4.80 113.70 111.95 2pnr s SER 23 Ca 0.36 -0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.54 2pnr s SER 23 Cb -0.08 -1.84 0.02 0.00 0.10 0.00 0.00 66.02 64.22 2pnr s SER 23 CO 0.27 0.12 0.53 -2.65 0.98 0.00 0.00 173.24 172.50 2pnr n PRO 24 N 3.86 -0.09 -3.97 4.02 -0.02 -1.26 -4.97 135.00 132.56 2pnr n PRO 24 Ca -0.17 0.02 -0.34 0.00 -2.02 0.00 0.00 63.50 61.00 2pnr n PRO 24 Cb 0.52 -1.92 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 2pnr n PRO 24 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2pnr s SER 25 N -1.89 4.71 0.36 2.55 0.01 -1.26 -5.10 113.70 113.08 2pnr s SER 25 Ca 0.61 -1.35 -0.23 0.00 1.31 0.00 0.00 55.95 56.29 2pnr s SER 25 Cb -0.26 -1.65 -0.10 0.00 0.21 0.00 0.00 66.02 64.23 2pnr s SER 25 CO 0.63 -0.24 0.91 -2.16 0.41 0.00 0.00 173.24 172.80 2pnr s PRO 26 N 1.18 4.38 -0.05 12.44 0.04 -1.26 -5.05 135.00 146.68 2pnr s PRO 26 Ca -0.06 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.20 2pnr s PRO 26 Cb -0.20 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 2pnr s PRO 26 CO -0.03 0.16 -0.24 -0.51 0.04 0.00 0.00 177.00 176.42 2pnr s LEU 27 N -2.56 2.15 1.06 -3.56 1.43 -1.26 -4.82 118.68 111.12 2pnr s LEU 27 Ca 0.55 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 53.01 2pnr s LEU 27 Cb -0.14 -1.39 0.23 0.00 0.03 0.00 0.00 46.19 44.92 2pnr s LEU 27 CO 0.19 0.27 1.21 -0.94 0.23 0.00 0.00 176.35 177.30 2pnr s SER 28 N -0.30 2.25 0.10 2.29 1.04 -1.26 -2.15 113.70 115.68 2pnr s SER 28 Ca 0.01 0.52 -0.14 0.00 0.48 0.00 0.00 55.95 56.82 2pnr s SER 28 Cb -0.13 -0.72 -0.11 0.00 0.10 0.00 0.00 66.02 65.16 2pnr s SER 28 CO 0.02 -3.29 1.37 0.40 0.98 0.00 0.00 173.24 172.72 2pnr h ILE 29 N -2.01 1.30 -0.65 -1.02 2.04 -0.97 -3.08 117.51 113.11 2pnr h ILE 29 Ca -0.45 -1.68 0.13 0.00 1.00 0.00 0.00 64.86 63.85 2pnr h ILE 29 Cb 1.27 1.75 -0.10 0.00 -0.74 0.00 0.00 36.82 39.00 2pnr h ILE 29 CO 0.40 0.54 0.11 0.50 0.00 0.00 0.00 178.15 179.70 2pnr h LYS 30 N 0.50 0.22 -0.68 2.37 3.64 -1.65 -1.32 116.57 119.64 2pnr h LYS 30 Ca 0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2pnr h LYS 30 Cb 1.09 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 2pnr h LYS 30 CO 0.11 0.15 0.38 1.96 -2.27 0.00 0.00 179.45 179.78 2pnr h GLN 31 N 0.23 0.95 -0.52 1.90 4.20 -1.84 0.44 115.11 120.48 2pnr h GLN 31 Ca 0.35 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 2pnr h GLN 31 Cb 0.56 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2pnr h GLN 31 CO -0.47 0.71 0.30 0.74 -0.67 0.00 0.00 178.83 179.45 2pnr h PHE 32 N 0.94 0.67 0.10 2.96 0.04 -1.19 -0.08 116.94 120.39 2pnr h PHE 32 Ca 0.24 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.01 2pnr h PHE 32 Cb 0.03 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 37.96 2pnr h PHE 32 CO -0.01 0.46 -0.05 1.25 -0.60 0.00 0.00 178.31 179.36 2pnr h LEU 33 N 0.71 -0.12 -0.99 1.54 5.85 -0.72 -2.52 115.31 119.06 2pnr h LEU 33 Ca 0.19 -0.27 0.13 0.00 0.84 0.00 0.00 57.88 58.77 2pnr h LEU 33 Cb -0.02 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 40.95 2pnr h LEU 33 CO -0.03 0.48 0.62 0.44 -0.34 0.00 0.00 178.44 179.60 2pnr h ASP 34 N -0.99 0.89 -0.07 1.25 3.32 -0.10 0.04 116.42 120.76 2pnr h ASP 34 Ca -0.01 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2pnr h ASP 34 Cb 0.38 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 2pnr h ASP 34 CO 0.02 0.45 -0.01 0.15 -1.72 0.00 0.00 179.24 178.13 2pnr h PHE 35 N 0.94 0.14 0.00 4.55 3.57 -1.10 0.32 116.94 125.36 2pnr h PHE 35 Ca 0.50 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.97 2pnr h PHE 35 Cb 0.55 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2pnr h PHE 35 CO -0.01 0.45 0.00 0.41 -2.23 0.00 0.00 178.31 176.93 2pnr n GLY 36 N -0.13 -1.31 0.18 2.40 0.00 -0.95 -0.41 105.19 104.98 2pnr n GLY 36 Ca -0.07 0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 2pnr n GLY 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2pnr n ARG 37 N -2.04 0.33 0.14 1.61 0.63 -0.04 -4.59 116.66 112.69 2pnr n ARG 37 Ca 0.03 0.13 -0.06 0.00 -0.92 0.00 0.00 57.85 57.03 2pnr n ARG 37 Cb 0.26 -1.05 -0.03 0.00 0.45 0.00 0.00 32.46 32.08 2pnr n ARG 37 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2pnr h ASP 38 N -0.61 -0.36 0.00 6.15 3.32 -0.52 -3.42 116.42 120.98 2pnr h ASP 38 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2pnr h ASP 38 Cb 0.61 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2pnr h ASP 38 CO 0.00 0.02 0.00 -3.20 -1.72 0.00 0.00 179.24 174.34 2pnr n ASN 39 N -4.66 0.00 -0.90 6.45 4.05 -1.19 -4.95 115.26 114.06 2pnr n ASN 39 Ca -0.05 0.22 -0.08 0.00 0.45 0.00 0.00 54.58 55.12 2pnr n ASN 39 Cb 0.17 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.17 2pnr n ASN 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pnr n ALA 40 N -1.69 -0.23 -2.53 5.20 0.00 0.45 -5.02 120.51 116.69 2pnr n ALA 40 Ca 0.00 0.06 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 2pnr n ALA 40 Cb 0.00 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.21 2pnr n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pnr h GLU 42 N 8.53 0.06 0.25 0.00 4.81 -1.98 -2.74 114.58 123.51 2pnr h GLU 42 Ca -0.29 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2pnr h GLU 42 Cb 1.14 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2pnr h GLU 42 CO 0.71 0.10 -0.12 0.87 -0.73 0.00 0.00 179.01 179.84 2pnr h LYS 43 N 0.06 -0.32 -0.92 1.92 1.57 -1.92 0.11 116.57 117.07 2pnr h LYS 43 Ca 0.02 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2pnr h LYS 43 Cb 0.10 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 2pnr h LYS 43 CO 0.00 -0.13 0.59 1.15 -0.57 0.00 0.00 179.45 180.50 2pnr h THR 44 N -0.45 1.14 -0.30 -0.16 2.02 -1.94 -0.22 112.91 113.00 2pnr h THR 44 Ca -0.03 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 2pnr h THR 44 Cb 0.34 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 2pnr h THR 44 CO 0.06 0.21 0.10 -1.28 0.37 0.00 0.00 175.52 174.97 2pnr h SER 45 N 1.14 0.43 -0.28 4.18 0.87 -1.29 -0.21 113.55 118.39 2pnr h SER 45 Ca 0.37 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2pnr h SER 45 Cb 0.03 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2pnr h SER 45 CO -0.13 0.52 0.16 0.22 -0.53 0.00 0.00 176.83 177.08 2pnr h TYR 46 N 0.32 0.38 -0.52 2.24 3.20 -0.39 -0.49 116.97 121.72 2pnr h TYR 46 Ca 0.10 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.07 2pnr h TYR 46 Cb 0.24 -0.12 -0.09 0.00 1.54 0.00 0.00 36.73 38.30 2pnr h TYR 46 CO 0.00 0.29 -0.02 0.52 -1.64 0.00 0.00 178.16 177.31 2pnr h MET 47 N 0.35 0.09 0.79 1.82 2.86 -0.78 0.38 114.93 120.43 2pnr h MET 47 Ca 0.10 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 2pnr h MET 47 Cb 0.03 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.68 2pnr h MET 47 CO -0.02 0.06 -0.38 0.35 1.06 0.00 0.00 176.91 177.98 2pnr h PHE 48 N 0.09 -0.98 0.00 -0.22 3.57 -0.72 -3.24 116.94 115.44 2pnr h PHE 48 Ca 0.26 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2pnr h PHE 48 Cb 0.40 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 2pnr h PHE 48 CO -0.34 -0.60 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.03 2pnr h LEU 49 N -1.24 0.00 -1.14 0.59 3.38 -0.88 0.13 115.31 116.15 2pnr h LEU 49 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2pnr h LEU 49 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2pnr h LEU 49 CO 0.18 0.04 -0.03 0.08 0.09 0.00 0.00 178.44 178.80 2pnr h ARG 50 N 0.00 0.00 0.00 1.13 0.11 -0.95 -1.74 114.38 112.94 2pnr h ARG 50 Ca -0.00 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.75 2pnr h ARG 50 Cb 0.21 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.24 2pnr h ARG 50 CO 0.01 0.03 -2.00 1.17 0.10 0.00 0.00 179.97 179.27 2pnr n LYS 51 N -3.12 0.57 -0.21 0.08 4.81 -0.81 -4.45 118.16 115.02 2pnr n LYS 51 Ca 0.01 0.30 -0.02 0.00 -0.87 0.00 0.00 58.31 57.73 2pnr n LYS 51 Cb 0.36 -1.52 0.09 0.00 0.02 0.00 0.00 35.03 33.99 2pnr n LYS 51 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2pnr h GLU 52 N -1.00 0.60 0.83 1.64 4.57 -1.04 -2.00 114.58 118.17 2pnr h GLU 52 Ca -0.49 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 57.61 2pnr h GLU 52 Cb 1.41 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 29.87 2pnr h GLU 52 CO -0.30 0.39 -0.40 -0.07 -1.18 0.00 0.00 179.01 177.46 2pnr h LEU 53 N 0.61 -0.94 -2.29 1.64 3.38 -1.54 -2.29 115.31 113.87 2pnr h LEU 53 Ca 0.28 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.31 2pnr h LEU 53 Cb 0.20 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2pnr h LEU 53 CO -0.19 -0.62 0.12 1.55 0.09 0.00 0.00 178.44 179.39 2pnr h PRO 54 N -1.22 0.00 0.53 1.13 0.13 -1.75 -2.06 132.00 128.76 2pnr h PRO 54 Ca -0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 2pnr h PRO 54 Cb 0.86 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.00 2pnr h PRO 54 CO 0.19 0.00 -0.25 0.28 -0.23 0.00 0.00 178.00 177.98 2pnr h VAL 55 N 0.00 0.27 -0.66 1.56 2.07 -1.16 -1.47 116.25 116.86 2pnr h VAL 55 Ca 0.05 -0.45 0.14 0.00 0.82 0.00 0.00 66.70 67.26 2pnr h VAL 55 Cb 0.29 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 2pnr h VAL 55 CO -0.00 0.04 0.45 0.03 0.02 0.00 0.00 177.57 178.11 2pnr h ARG 56 N -1.05 0.31 -0.29 1.57 3.08 -1.10 -0.65 114.38 116.25 2pnr h ARG 56 Ca -0.07 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 2pnr h ARG 56 Cb 0.61 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2pnr h ARG 56 CO 0.12 0.20 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.07 2pnr h LEU 57 N 0.32 0.57 -0.71 3.04 3.38 -1.25 -3.05 115.31 117.62 2pnr h LEU 57 Ca 0.32 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 2pnr h LEU 57 Cb 0.81 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2pnr h LEU 57 CO -0.08 0.81 -0.53 0.00 0.09 0.00 0.00 178.44 178.73 2pnr h ALA 58 N 0.78 0.89 0.00 1.53 0.00 -0.27 -0.86 119.26 121.33 2pnr h ALA 58 Ca 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2pnr h ALA 58 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2pnr h ALA 58 CO 0.03 0.68 0.00 -0.91 0.00 0.00 0.00 179.25 179.05 2pnr h ASN 59 N 0.25 0.00 0.01 0.00 -0.26 -1.11 -1.76 115.58 112.70 2pnr h ASN 59 Ca 0.01 0.00 -0.41 0.00 -0.56 0.00 0.00 56.30 55.34 2pnr h ASN 59 Cb 1.01 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 38.21 2pnr h ASN 59 CO 0.09 0.00 -2.28 0.41 -1.06 0.00 0.00 177.43 174.58 2pnr n THR 60 N -2.34 1.54 0.15 2.81 -1.04 -1.08 -4.04 114.28 110.27 2pnr n THR 60 Ca 0.01 -0.37 0.12 0.00 -2.04 0.00 0.00 64.05 61.78 2pnr n THR 60 Cb 0.21 -1.83 0.63 0.00 -1.82 0.00 0.00 70.33 67.53 2pnr n THR 60 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2pnr h MET 61 N -0.79 0.06 -0.11 -2.82 2.86 -1.13 -0.61 114.93 112.38 2pnr h MET 61 Ca -0.61 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 56.91 2pnr h MET 61 Cb 1.63 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.26 2pnr h MET 61 CO -0.31 0.04 -0.45 -0.09 1.06 0.00 0.00 176.91 177.16 2pnr h ARG 62 N 0.06 0.27 0.00 1.72 9.65 -1.51 -2.96 114.38 121.61 2pnr h ARG 62 Ca 0.10 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 2pnr h ARG 62 Cb 0.32 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 2pnr h ARG 62 CO -0.01 0.67 -0.07 0.93 2.80 0.00 0.00 179.97 184.29 2pnr h GLU 63 N 0.22 0.01 -0.98 0.20 5.08 -1.29 -3.30 114.58 114.52 2pnr h GLU 63 Ca 0.02 -0.01 0.27 0.00 -1.00 0.00 0.00 59.36 58.64 2pnr h GLU 63 Cb 0.89 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 2pnr h GLU 63 CO 0.07 1.00 0.69 -0.24 -1.00 0.00 0.00 179.01 179.54 2pnr h VAL 64 N -0.99 0.53 0.00 3.13 3.04 -1.38 0.93 116.25 121.50 2pnr h VAL 64 Ca -0.02 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 2pnr h VAL 64 Cb 1.03 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2pnr h VAL 64 CO -0.01 0.01 0.00 -3.20 -1.01 0.00 0.00 177.57 173.37 2pnr n ASN 65 N -4.31 0.32 -1.50 3.17 2.85 -1.12 -2.70 115.26 111.97 2pnr n ASN 65 Ca 0.21 0.57 0.08 0.00 -0.11 0.00 0.00 54.58 55.33 2pnr n ASN 65 Cb 1.00 -0.64 0.34 0.00 1.24 0.00 0.00 39.78 41.72 2pnr n ASN 65 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2pnr n LEU 66 N -1.85 4.84 -4.84 1.20 4.32 0.32 -5.01 117.00 115.99 2pnr n LEU 66 Ca 0.04 -2.71 -0.30 0.00 -0.02 0.00 0.00 56.01 53.01 2pnr n LEU 66 Cb 0.23 -0.59 0.06 0.00 -1.62 0.00 0.00 43.42 41.50 2pnr n LEU 66 CO 0.19 0.72 0.72 -0.76 -1.22 0.00 0.00 177.39 177.04 2pnr s LEU 67 N -2.32 2.86 0.34 2.23 1.02 -1.10 -4.85 118.68 116.85 2pnr s LEU 67 Ca 0.49 1.33 -0.29 0.00 0.02 0.00 0.00 54.13 55.69 2pnr s LEU 67 Cb 0.35 -4.10 -0.11 0.00 0.02 0.00 0.00 46.19 42.35 2pnr s LEU 67 CO 0.18 -1.58 1.49 -2.84 0.02 0.00 0.00 176.35 173.62 2pnr s PRO 68 N -5.19 4.16 0.64 1.29 0.02 -1.26 -4.65 135.00 130.00 2pnr s PRO 68 Ca 0.59 2.51 0.42 0.00 0.02 0.00 0.00 61.00 64.54 2pnr s PRO 68 Cb -0.13 -3.01 2.24 0.00 0.02 0.00 0.00 34.50 33.62 2pnr s PRO 68 CO 0.54 -0.51 2.31 -0.44 -0.33 0.00 0.00 177.00 178.57 2pnr h ASP 69 N 3.76 0.00 -0.37 2.53 3.32 -1.98 0.21 116.42 123.88 2pnr h ASP 69 Ca -0.49 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.42 2pnr h ASP 69 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2pnr h ASP 69 CO 0.70 0.00 -0.27 0.78 -1.72 0.00 0.00 179.24 178.73 2pnr h ASN 70 N 0.00 0.92 0.09 6.45 -0.26 -2.00 -2.71 115.58 118.07 2pnr h ASN 70 Ca -0.00 -0.37 -0.00 0.00 -0.56 0.00 0.00 56.30 55.37 2pnr h ASN 70 Cb 0.08 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.09 2pnr h ASN 70 CO 0.00 1.13 -0.04 0.25 -1.06 0.00 0.00 177.43 177.71 2pnr h LEU 71 N 0.76 -0.10 -1.94 1.61 5.85 -1.04 -3.26 115.31 117.19 2pnr h LEU 71 Ca 0.09 -0.46 0.24 0.00 0.84 0.00 0.00 57.88 58.59 2pnr h LEU 71 Cb 0.83 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 2pnr h LEU 71 CO 0.07 0.55 0.67 0.25 -0.34 0.00 0.00 178.44 179.65 2pnr h LEU 72 N -0.90 0.00 -1.29 2.25 6.46 -1.08 0.04 115.31 120.80 2pnr h LEU 72 Ca -0.01 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.71 2pnr h LEU 72 Cb 0.56 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 2pnr h LEU 72 CO 0.02 0.00 -0.19 0.78 -0.62 0.00 0.00 178.44 178.43 2pnr h ASN 73 N 0.00 0.00 -2.53 1.25 -0.26 -1.52 -3.38 115.58 109.15 2pnr h ASN 73 Ca 0.40 0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 55.60 2pnr h ASN 73 Cb 1.74 0.00 0.06 0.00 -1.06 0.00 0.00 38.32 39.06 2pnr h ASN 73 CO -0.00 0.19 0.95 0.54 -1.06 0.00 0.00 177.43 178.05 2pnr n ARG 74 N -3.41 2.59 -0.23 0.81 5.12 -0.00 -4.84 116.66 116.69 2pnr n ARG 74 Ca -0.00 0.93 0.26 0.00 -1.93 0.00 0.00 57.85 57.12 2pnr n ARG 74 Cb 0.39 -2.76 0.65 0.00 -1.16 0.00 0.00 32.46 29.57 2pnr n ARG 74 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2pnr h PRO 75 N 6.59 0.15 -0.79 5.56 0.11 -1.89 0.13 132.00 141.85 2pnr h PRO 75 Ca -0.44 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 2pnr h PRO 75 Cb 1.22 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2pnr h PRO 75 CO 0.94 0.10 0.47 0.77 -0.21 0.00 0.00 178.00 180.07 2pnr h SER 76 N 0.15 0.95 0.02 -2.05 0.02 -1.89 -2.48 113.55 108.26 2pnr h SER 76 Ca 0.48 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.33 2pnr h SER 76 Cb 1.63 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2pnr h SER 76 CO -0.09 0.73 -0.20 0.58 -1.14 0.00 0.00 176.83 176.70 2pnr h VAL 77 N 1.09 1.62 0.00 2.27 2.07 -1.04 -2.87 116.25 119.38 2pnr h VAL 77 Ca 0.28 -2.09 -0.00 0.00 0.82 0.00 0.00 66.70 65.71 2pnr h VAL 77 Cb -0.04 2.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2pnr h VAL 77 CO -0.05 0.56 -0.02 1.23 0.02 0.00 0.00 177.57 179.31 2pnr h GLY 78 N -0.66 0.00 1.46 2.17 0.00 -1.49 -0.26 103.07 104.29 2pnr h GLY 78 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.08 2pnr h GLY 78 CO 0.04 0.00 -0.89 -2.00 0.00 0.00 0.00 176.54 173.69 2pnr h LEU 79 N 0.00 0.63 -0.10 3.11 5.85 -1.45 -2.30 115.31 121.05 2pnr h LEU 79 Ca -0.00 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.18 2pnr h LEU 79 Cb 0.10 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2pnr h LEU 79 CO 0.00 1.26 -0.19 0.58 -0.34 0.00 0.00 178.44 179.75 2pnr h VAL 80 N 0.30 1.39 -0.66 1.05 2.07 -0.87 -2.75 116.25 116.78 2pnr h VAL 80 Ca -0.07 -1.47 0.09 0.00 0.82 0.00 0.00 66.70 66.06 2pnr h VAL 80 Cb 1.52 2.12 -0.07 0.00 -1.52 0.00 0.00 31.29 33.33 2pnr h VAL 80 CO 0.16 0.42 0.29 1.56 0.02 0.00 0.00 177.57 180.02 2pnr h GLN 81 N -0.14 0.49 -0.46 1.57 4.20 -1.22 0.13 115.11 119.68 2pnr h GLN 81 Ca 0.00 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2pnr h GLN 81 Cb 0.78 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 2pnr h GLN 81 CO 0.04 0.32 0.01 0.66 -0.67 0.00 0.00 178.83 179.19 2pnr h SER 82 N 0.50 0.71 -0.53 1.46 4.64 -1.43 0.37 113.55 119.28 2pnr h SER 82 Ca 0.33 -0.16 -0.12 0.00 -0.47 0.00 0.00 61.79 61.36 2pnr h SER 82 Cb 0.37 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2pnr h SER 82 CO -0.28 0.78 -0.14 -0.50 -0.87 0.00 0.00 176.83 175.81 2pnr h TRP 83 N 0.70 1.16 -0.04 4.77 6.55 -0.96 0.15 115.95 128.29 2pnr h TRP 83 Ca 0.14 -0.25 -0.00 0.00 0.95 0.00 0.00 58.89 59.72 2pnr h TRP 83 Cb 0.42 -0.28 -0.00 0.00 -0.86 0.00 0.00 29.16 28.44 2pnr h TRP 83 CO 0.02 1.09 0.01 1.88 -1.05 0.00 0.00 178.44 180.39 2pnr h TYR 84 N 0.91 0.07 -0.19 0.49 -1.99 -0.39 -2.30 116.97 113.58 2pnr h TYR 84 Ca 0.13 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.90 2pnr h TYR 84 Cb 0.72 -0.02 -0.07 0.00 2.00 0.00 0.00 36.73 39.36 2pnr h TYR 84 CO 0.05 0.27 -0.44 1.98 -0.00 0.00 0.00 178.16 180.02 2pnr h MET 85 N -0.14 -0.45 -0.43 4.88 1.85 -0.10 0.43 114.93 120.96 2pnr h MET 85 Ca 0.01 0.03 0.09 0.00 -0.61 0.00 0.00 59.70 59.22 2pnr h MET 85 Cb 0.23 0.10 -0.08 0.00 0.43 0.00 0.00 31.60 32.28 2pnr h MET 85 CO -0.00 -0.30 -0.07 0.37 -0.40 0.00 0.00 176.91 176.51 2pnr h GLN 86 N -0.47 0.04 -0.89 0.39 4.15 -0.63 -1.08 115.11 116.61 2pnr h GLN 86 Ca 0.08 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 2pnr h GLN 86 Cb 0.62 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.26 2pnr h GLN 86 CO -0.44 0.02 0.51 0.77 -1.93 0.00 0.00 178.83 177.77 2pnr h SER 87 N 0.04 1.09 -0.01 -0.69 0.02 -0.86 -1.62 113.55 111.53 2pnr h SER 87 Ca 0.21 -0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2pnr h SER 87 Cb 0.32 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2pnr h SER 87 CO -0.42 0.86 -0.16 0.15 -1.14 0.00 0.00 176.83 176.12 2pnr h PHE 88 N 1.24 -0.42 0.00 3.45 3.57 0.27 -2.27 116.94 122.77 2pnr h PHE 88 Ca 0.32 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 2pnr h PHE 88 Cb -0.01 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2pnr h PHE 88 CO 0.01 -0.24 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.62 2pnr h LEU 89 N -0.27 0.00 -0.08 0.59 3.38 -0.88 0.26 115.31 118.32 2pnr h LEU 89 Ca 0.05 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 2pnr h LEU 89 Cb 0.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 2pnr h LEU 89 CO -0.16 0.16 -1.03 -0.33 0.09 0.00 0.00 178.44 177.17 2pnr h GLU 90 N 0.00 0.47 0.09 1.13 5.08 -1.07 -3.26 114.58 117.03 2pnr h GLU 90 Ca -0.00 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2pnr h GLU 90 Cb 0.65 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2pnr h GLU 90 CO 0.02 1.19 -0.04 -0.07 -1.00 0.00 0.00 179.01 179.11 2pnr h LEU 91 N 0.25 -0.10 -0.25 1.33 3.38 -1.17 -3.11 115.31 115.63 2pnr h LEU 91 Ca -0.11 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2pnr h LEU 91 Cb 1.68 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2pnr h LEU 91 CO 0.18 0.42 0.20 -0.11 0.09 0.00 0.00 178.44 179.22 2pnr n LEU 92 N -4.90 0.10 -1.42 1.67 7.94 0.90 -2.11 117.00 119.18 2pnr n LEU 92 Ca -0.08 0.39 -0.08 0.00 -1.11 0.00 0.00 56.01 55.13 2pnr n LEU 92 Cb 0.27 -0.38 0.06 0.00 0.53 0.00 0.00 43.42 43.89 2pnr n LEU 92 CO 0.31 -0.43 0.77 1.21 -1.11 0.00 0.00 177.39 178.14 2pnr n GLU 93 N -1.53 1.42 0.00 1.96 2.13 -1.18 -3.01 120.64 120.43 2pnr n GLU 93 Ca -0.00 -1.01 0.00 0.00 0.66 0.00 0.00 57.16 56.81 2pnr n GLU 93 Cb 0.20 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.52 2pnr n GLU 93 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2pnr n TYR 94 N -0.03 0.00 0.04 4.31 4.02 -0.90 -4.78 117.16 119.82 2pnr n TYR 94 Ca 0.20 0.00 0.20 0.00 -0.01 0.00 0.00 57.90 58.29 2pnr n TYR 94 Cb 0.89 0.03 0.52 0.00 -0.02 0.00 0.00 39.34 40.76 2pnr n TYR 94 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2pnr h GLU 95 N 0.00 0.00 0.00 -0.72 4.81 -1.73 -2.71 114.58 114.23 2pnr h GLU 95 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2pnr h GLU 95 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2pnr h GLU 95 CO 0.00 0.00 -0.39 0.09 -0.73 0.00 0.00 179.01 177.98 2pnr n ASN 96 N -3.22 1.93 -4.73 1.04 3.02 -1.26 -5.07 115.26 106.96 2pnr n ASN 96 Ca 0.11 -0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 2pnr n ASN 96 Cb 1.00 0.55 -0.01 0.00 -0.61 0.00 0.00 39.78 40.71 2pnr n ASN 96 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pnr n LYS 97 N -0.74 2.41 -3.44 3.52 5.02 -1.02 -4.96 118.16 118.95 2pnr n LYS 97 Ca 0.00 0.85 -0.36 0.00 -2.02 0.00 0.00 58.31 56.78 2pnr n LYS 97 Cb 0.00 -2.53 -0.06 0.00 -0.02 0.00 0.00 35.03 32.42 2pnr n LYS 97 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2pnr s SER 98 N 0.01 6.80 0.00 4.39 0.15 -1.26 -4.95 113.70 118.84 2pnr s SER 98 Ca 0.58 1.00 0.00 0.00 0.70 0.00 0.00 55.95 58.23 2pnr s SER 98 Cb -0.54 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2pnr s SER 98 CO 0.58 0.19 0.50 -0.81 1.20 0.00 0.00 173.24 174.90 2pnr n PRO 99 N 1.15 0.63 -0.03 5.44 -0.04 -1.26 -3.93 135.00 136.95 2pnr n PRO 99 Ca -0.08 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.28 2pnr n PRO 99 Cb 0.52 -1.13 -0.08 0.00 -0.04 0.00 0.00 33.50 32.76 2pnr n PRO 99 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2pnr h GLU 100 N 0.15 -0.05 -6.26 0.54 4.39 -2.00 -3.44 114.58 107.92 2pnr h GLU 100 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 2pnr h GLU 100 Cb 0.13 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 2pnr h GLU 100 CO 0.00 0.55 0.28 0.16 -1.16 0.00 0.00 179.01 178.84 2pnr s ASP 101 N -5.85 7.22 0.00 1.42 3.84 -1.25 -4.90 116.67 117.14 2pnr s ASP 101 Ca -0.13 1.47 0.02 0.00 -0.00 0.00 0.00 52.55 53.92 2pnr s ASP 101 Cb -0.01 -2.51 0.12 0.00 -1.38 0.00 0.00 42.92 39.14 2pnr s ASP 101 CO 0.47 -0.22 0.68 -0.81 -0.00 0.00 0.00 175.17 175.29 2pnr n PRO 102 N 3.96 0.06 -0.03 2.11 -0.04 -1.26 -1.21 135.00 138.58 2pnr n PRO 102 Ca 0.04 0.07 -0.15 0.00 -0.04 0.00 0.00 63.50 63.41 2pnr n PRO 102 Cb 0.51 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 2pnr n PRO 102 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2pnr h GLN 103 N 0.00 0.22 0.77 0.54 4.15 -1.96 -0.29 115.11 118.55 2pnr h GLN 103 Ca 0.00 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.18 2pnr h GLN 103 Cb 0.00 0.05 0.01 0.00 0.21 0.00 0.00 27.48 27.75 2pnr h GLN 103 CO 0.00 0.89 -0.38 0.28 -1.93 0.00 0.00 178.83 177.69 2pnr h VAL 104 N -0.37 0.00 -0.89 2.39 2.07 -1.46 -2.00 116.25 115.99 2pnr h VAL 104 Ca -0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 2pnr h VAL 104 Cb 0.96 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.57 2pnr h VAL 104 CO 0.05 0.00 -0.28 -0.07 0.02 0.00 0.00 177.57 177.29 2pnr h LEU 105 N -1.05 -1.03 -1.46 2.57 4.07 -1.64 0.55 115.31 117.32 2pnr h LEU 105 Ca -0.11 0.28 -0.03 0.00 0.08 0.00 0.00 57.88 58.10 2pnr h LEU 105 Cb 0.81 0.61 -0.00 0.00 1.08 0.00 0.00 40.66 43.15 2pnr h LEU 105 CO 0.17 -0.30 -0.16 -0.78 -1.08 0.00 0.00 178.44 176.29 2pnr h ASP 106 N -0.02 0.00 1.11 -0.43 3.58 -1.02 -2.46 116.42 117.18 2pnr h ASP 106 Ca 0.39 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.77 2pnr h ASP 106 Cb 0.63 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 2pnr h ASP 106 CO -0.91 0.16 -0.93 0.78 -2.88 0.00 0.00 179.24 175.46 2pnr h ASN 107 N 0.00 0.00 0.37 2.28 -0.26 0.69 -3.19 115.58 115.47 2pnr h ASN 107 Ca -0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 2pnr h ASN 107 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 2pnr h ASN 107 CO 0.02 0.26 -0.18 0.15 -1.06 0.00 0.00 177.43 176.62 2pnr h PHE 108 N 0.00 -0.46 -0.86 1.19 3.57 -0.13 -2.41 116.94 117.85 2pnr h PHE 108 Ca -0.05 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.64 2pnr h PHE 108 Cb 1.24 0.15 -0.16 0.00 2.79 0.00 0.00 35.95 39.98 2pnr h PHE 108 CO 0.00 -0.17 -0.05 1.25 -2.23 0.00 0.00 178.31 177.11 2pnr h LEU 109 N -0.71 -0.52 -1.23 0.59 5.85 -1.53 0.34 115.31 118.10 2pnr h LEU 109 Ca -0.05 0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 2pnr h LEU 109 Cb 0.50 0.44 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 2pnr h LEU 109 CO 0.08 -0.26 0.22 1.56 -0.34 0.00 0.00 178.44 179.70 2pnr h GLN 110 N 0.05 0.75 0.23 1.25 1.08 -1.50 -1.83 115.11 115.14 2pnr h GLN 110 Ca 0.47 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.55 2pnr h GLN 110 Cb 0.84 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 2pnr h GLN 110 CO -0.81 0.61 -0.11 0.28 -0.95 0.00 0.00 178.83 177.86 2pnr h VAL 111 N 0.75 0.82 -0.91 -0.54 2.07 0.14 -1.25 116.25 117.33 2pnr h VAL 111 Ca 0.18 -0.30 0.13 0.00 0.82 0.00 0.00 66.70 67.54 2pnr h VAL 111 Cb 0.14 1.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 2pnr h VAL 111 CO -0.02 0.07 0.53 -0.07 0.02 0.00 0.00 177.57 178.09 2pnr h LEU 112 N -0.46 0.71 -0.02 2.57 3.38 -0.97 0.97 115.31 121.50 2pnr h LEU 112 Ca -0.03 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2pnr h LEU 112 Cb 0.35 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2pnr h LEU 112 CO 0.05 0.35 0.01 0.40 0.09 0.00 0.00 178.44 179.34 2pnr h ILE 113 N 0.79 1.04 0.09 1.22 5.03 -1.16 -1.95 117.51 122.58 2pnr h ILE 113 Ca 0.47 -0.11 0.02 0.00 -0.12 0.00 0.00 64.86 65.12 2pnr h ILE 113 Cb 0.57 1.08 -0.05 0.00 -3.03 0.00 0.00 36.82 35.39 2pnr h ILE 113 CO -0.31 0.03 -0.49 0.50 -0.68 0.00 0.00 178.15 177.20 2pnr h LYS 114 N -0.02 -0.68 0.00 2.37 3.64 0.34 -2.39 116.57 119.84 2pnr h LYS 114 Ca 0.01 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2pnr h LYS 114 Cb 0.04 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2pnr h LYS 114 CO -0.00 -0.45 -0.24 -0.39 -2.27 0.00 0.00 179.45 176.10 2pnr h VAL 115 N -0.70 1.04 -0.72 2.00 -1.51 -1.05 -0.04 116.25 115.26 2pnr h VAL 115 Ca 0.01 -0.85 -0.04 0.00 -1.23 0.00 0.00 66.70 64.59 2pnr h VAL 115 Cb 0.73 1.47 -0.03 0.00 -2.13 0.00 0.00 31.29 31.33 2pnr h VAL 115 CO -0.29 0.23 0.29 -0.09 -1.23 0.00 0.00 177.57 176.48 2pnr h ARG 116 N 0.00 1.08 -0.01 5.19 2.43 -0.97 -0.06 114.38 122.04 2pnr h ARG 116 Ca -0.00 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 2pnr h ARG 116 Cb 0.45 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2pnr h ARG 116 CO 0.03 0.89 -0.06 -0.91 -1.51 0.00 0.00 179.97 178.42 2pnr h ASN 117 N 1.04 0.07 -0.97 -3.80 2.35 -1.05 -1.89 115.58 111.32 2pnr h ASN 117 Ca 0.24 -0.65 0.19 0.00 -0.55 0.00 0.00 56.30 55.53 2pnr h ASN 117 Cb 0.21 -0.02 -0.11 0.00 0.05 0.00 0.00 38.32 38.45 2pnr h ASN 117 CO -0.02 0.71 0.56 -0.09 -1.65 0.00 0.00 177.43 176.94 2pnr h ARG 118 N -0.56 0.67 0.00 0.81 2.43 -0.86 -1.42 114.38 115.46 2pnr h ARG 118 Ca -0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2pnr h ARG 118 Cb 0.70 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2pnr h ARG 118 CO 0.01 0.45 -0.52 0.45 -1.51 0.00 0.00 179.97 178.84 2pnr h HIS 119 N 0.69 0.00 -0.77 2.20 3.86 -1.03 -3.39 115.15 116.71 2pnr h HIS 119 Ca 0.56 0.00 0.32 0.00 -1.16 0.00 0.00 60.37 60.09 2pnr h HIS 119 Cb 0.89 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.22 2pnr h HIS 119 CO -0.03 0.08 0.38 -1.71 0.86 0.00 0.00 177.93 177.52 2pnr n ASN 120 N -2.94 0.24 -1.89 2.45 2.85 -0.53 0.55 115.26 115.99 2pnr n ASN 120 Ca 0.01 1.28 -0.21 0.00 -0.11 0.00 0.00 54.58 55.55 2pnr n ASN 120 Cb 0.58 -0.61 0.12 0.00 1.24 0.00 0.00 39.78 41.10 2pnr n ASN 120 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2pnr n ASP 121 N -4.77 4.82 0.12 1.20 5.75 -1.26 -4.54 116.55 117.88 2pnr n ASP 121 Ca 0.28 -3.76 -0.23 0.00 -0.01 0.00 0.00 54.79 51.08 2pnr n ASP 121 Cb 0.96 -0.71 -0.14 0.00 -1.03 0.00 0.00 41.12 40.20 2pnr n ASP 121 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2pnr h VAL 122 N 1.27 1.32 0.23 2.12 2.07 -0.19 -3.21 116.25 119.86 2pnr h VAL 122 Ca 0.44 -2.68 -0.01 0.00 0.82 0.00 0.00 66.70 65.27 2pnr h VAL 122 Cb 1.57 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 34.26 2pnr h VAL 122 CO 0.96 0.80 -0.11 0.58 0.02 0.00 0.00 177.57 179.82 2pnr h VAL 123 N 0.18 0.80 -0.33 2.57 2.07 -1.80 -0.49 116.25 119.25 2pnr h VAL 123 Ca -0.22 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.17 2pnr h VAL 123 Cb 2.06 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 32.66 2pnr h VAL 123 CO 0.25 0.04 -0.47 -0.65 0.02 0.00 0.00 177.57 176.77 2pnr h PRO 124 N -0.41 -0.38 -0.41 1.57 0.11 -1.87 -1.92 132.00 128.68 2pnr h PRO 124 Ca -0.03 0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.15 2pnr h PRO 124 Cb 0.31 0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.47 2pnr h PRO 124 CO 0.05 -0.26 0.16 1.15 -0.21 0.00 0.00 178.00 178.89 2pnr h THR 125 N -0.40 0.89 0.38 -1.15 2.02 -1.54 -0.83 112.91 112.29 2pnr h THR 125 Ca 0.10 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2pnr h THR 125 Cb 0.61 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2pnr h THR 125 CO -0.54 0.06 -0.51 -0.03 0.37 0.00 0.00 175.52 174.88 2pnr h MET 126 N 0.33 -0.89 -1.03 6.66 -1.53 -0.67 0.57 114.93 118.38 2pnr h MET 126 Ca 0.19 0.06 0.29 0.00 -3.44 0.00 0.00 59.70 56.80 2pnr h MET 126 Cb 0.16 0.20 -0.05 0.00 -0.55 0.00 0.00 31.60 31.36 2pnr h MET 126 CO -0.18 -0.59 0.72 0.00 0.14 0.00 0.00 176.91 177.00 2pnr h ALA 127 N -0.82 2.79 -0.32 0.39 0.00 -1.14 1.13 119.26 121.29 2pnr h ALA 127 Ca -0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2pnr h ALA 127 Cb 0.83 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2pnr h ALA 127 CO -0.13 -1.10 -0.15 0.37 0.00 0.00 0.00 179.25 178.24 2pnr h GLN 128 N 0.10 0.68 -0.38 0.00 5.75 0.71 -2.62 115.11 119.34 2pnr h GLN 128 Ca 0.51 -0.29 -0.06 0.00 -0.15 0.00 0.00 58.65 58.66 2pnr h GLN 128 Cb 1.83 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 30.34 2pnr h GLN 128 CO -0.07 0.89 -0.00 0.78 -2.65 0.00 0.00 178.83 177.77 2pnr h GLY 129 N 0.44 0.65 0.85 2.39 0.00 0.64 -2.36 103.07 105.68 2pnr h GLY 129 Ca 0.07 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 2pnr h GLY 129 CO 0.05 0.38 -0.64 -0.39 0.00 0.00 0.00 176.54 175.94 2pnr h VAL 130 N 0.58 1.40 -0.07 4.60 -1.51 -1.07 -3.06 116.25 117.12 2pnr h VAL 130 Ca 0.12 -2.06 0.01 0.00 -1.23 0.00 0.00 66.70 63.55 2pnr h VAL 130 Cb 0.37 2.50 -0.01 0.00 -2.13 0.00 0.00 31.29 32.03 2pnr h VAL 130 CO 0.01 0.61 -0.00 0.40 -1.23 0.00 0.00 177.57 177.35 2pnr h ILE 131 N -0.01 0.95 0.00 7.19 2.04 -1.42 0.18 117.51 126.43 2pnr h ILE 131 Ca -0.07 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2pnr h ILE 131 Cb 1.33 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2pnr h ILE 131 CO 0.13 0.00 0.02 -0.08 0.00 0.00 0.00 178.15 178.22 2pnr h GLU 132 N 0.02 0.00 0.06 2.37 4.81 -1.51 -1.87 114.58 118.46 2pnr h GLU 132 Ca 0.03 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.90 2pnr h GLU 132 Cb 0.04 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 2pnr h GLU 132 CO -0.06 0.00 -2.09 0.98 -0.73 0.00 0.00 179.01 177.11 2pnr n TYR 133 N -2.45 0.76 0.08 0.92 4.19 -0.23 -3.89 117.16 116.55 2pnr n TYR 133 Ca -0.02 0.19 -0.09 0.00 3.31 0.00 0.00 57.90 61.29 2pnr n TYR 133 Cb 0.07 -1.09 -0.05 0.00 0.49 0.00 0.00 39.34 38.75 2pnr n TYR 133 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 2pnr h LYS 134 N -0.18 -0.41 -0.46 2.98 3.64 0.09 0.93 116.57 123.17 2pnr h LYS 134 Ca -0.48 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2pnr h LYS 134 Cb 1.87 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.78 2pnr h LYS 134 CO -0.05 -0.27 0.00 -0.85 -2.27 0.00 0.00 179.45 176.01 2pnr n GLU 135 N -3.98 0.86 0.00 1.90 0.28 -1.03 -2.52 120.64 116.15 2pnr n GLU 135 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 2pnr n GLU 135 Cb 0.22 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 31.86 2pnr n GLU 135 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2pnr n LYS 136 N -0.20 1.75 0.04 3.44 4.81 -0.93 -4.99 118.16 122.08 2pnr n LYS 136 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2pnr n LYS 136 Cb 0.11 -0.84 0.00 0.00 0.02 0.00 0.00 35.03 34.32 2pnr n LYS 136 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2pnr n PHE 137 N -1.09 -0.63 0.00 5.64 3.01 0.28 -5.05 117.46 119.63 2pnr n PHE 137 Ca 0.00 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.57 2pnr n PHE 137 Cb 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 2pnr n PHE 137 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pnr n GLY 138 N 2.00 1.31 0.02 1.37 0.00 -1.05 -5.01 105.19 103.82 2pnr n GLY 138 Ca 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.90 2pnr n GLY 138 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pnr n PHE 139 N -0.12 0.00 -0.77 1.61 3.72 -1.26 -4.89 117.46 115.75 2pnr n PHE 139 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 2pnr n PHE 139 Cb 0.00 -0.35 0.13 0.00 -0.94 0.00 0.00 39.48 38.32 2pnr n PHE 139 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2pnr n ASP 140 N -1.42 -2.67 0.00 4.37 3.85 -1.26 -4.92 116.55 114.50 2pnr n ASP 140 Ca 0.07 -0.02 0.00 0.00 -0.71 0.00 0.00 54.79 54.14 2pnr n ASP 140 Cb 0.33 -0.89 0.00 0.00 -1.35 0.00 0.00 41.12 39.21 2pnr n ASP 140 CO 0.00 0.00 0.00 -0.81 -1.01 0.00 0.00 177.20 175.38 2pnr n PRO 141 N -0.86 0.00 -0.28 0.11 -0.04 -1.26 -3.67 135.00 129.00 2pnr n PRO 141 Ca 0.01 0.36 0.08 0.00 -0.04 0.00 0.00 63.50 63.90 2pnr n PRO 141 Cb 0.63 -0.97 0.23 0.00 -0.04 0.00 0.00 33.50 33.35 2pnr n PRO 141 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2pnr h PHE 142 N 0.00 0.63 -0.63 0.54 -5.15 -1.99 0.10 116.94 110.45 2pnr h PHE 142 Ca 0.00 0.04 0.08 0.00 -0.20 0.00 0.00 57.97 57.89 2pnr h PHE 142 Cb 0.00 -0.15 -0.06 0.00 0.22 0.00 0.00 35.95 35.95 2pnr h PHE 142 CO 0.04 0.08 0.29 0.82 -2.00 0.00 0.00 178.31 177.53 2pnr h ILE 143 N 0.49 0.85 -0.39 0.88 2.04 -1.97 -1.97 117.51 117.45 2pnr h ILE 143 Ca 0.47 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 66.09 2pnr h ILE 143 Cb 0.74 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2pnr h ILE 143 CO -0.42 0.09 0.01 -1.28 0.00 0.00 0.00 178.15 176.56 2pnr h SER 144 N 0.52 0.66 0.44 1.72 0.87 -0.92 -2.22 113.55 114.62 2pnr h SER 144 Ca 0.30 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2pnr h SER 144 Cb 0.31 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2pnr h SER 144 CO -0.25 0.80 0.00 0.71 -0.53 0.00 0.00 176.83 177.55 2pnr h THR 145 N 0.50 0.00 0.42 2.23 1.35 -0.84 -2.51 112.91 114.06 2pnr h THR 145 Ca 0.11 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.75 2pnr h THR 145 Cb 0.45 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2pnr h THR 145 CO 0.02 0.00 -0.20 0.78 -0.25 0.00 0.00 175.52 175.86 2pnr h ASN 146 N 0.00 -0.48 -1.00 5.36 4.21 -0.75 -2.96 115.58 119.97 2pnr h ASN 146 Ca 0.00 -0.07 0.14 0.00 1.21 0.00 0.00 56.30 57.59 2pnr h ASN 146 Cb 0.22 0.12 -0.09 0.00 -1.12 0.00 0.00 38.32 37.45 2pnr h ASN 146 CO 0.00 -0.05 0.62 0.40 -1.29 0.00 0.00 177.43 177.11 2pnr h ILE 147 N -1.07 0.85 -0.59 2.81 2.04 -1.25 0.43 117.51 120.72 2pnr h ILE 147 Ca -0.06 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2pnr h ILE 147 Cb 0.52 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 2pnr h ILE 147 CO 0.10 0.16 0.38 -0.61 0.00 0.00 0.00 178.15 178.18 2pnr h GLN 148 N 0.90 0.79 -0.27 2.37 5.75 -1.53 -0.08 115.11 123.04 2pnr h GLN 148 Ca 0.52 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.96 2pnr h GLN 148 Cb 0.64 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 2pnr h GLN 148 CO -0.29 0.54 0.17 -0.92 -2.65 0.00 0.00 178.83 175.68 2pnr h TYR 149 N 0.80 0.34 -0.31 3.99 3.20 -0.79 -2.12 116.97 122.08 2pnr h TYR 149 Ca 0.22 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2pnr h TYR 149 Cb -0.07 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2pnr h TYR 149 CO -0.03 0.23 0.14 0.35 -1.64 0.00 0.00 178.16 177.21 2pnr h PHE 150 N 0.35 0.45 -0.55 -3.82 3.57 -0.86 -3.13 116.94 112.96 2pnr h PHE 150 Ca 0.10 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 2pnr h PHE 150 Cb -0.03 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2pnr h PHE 150 CO -0.05 0.41 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.31 2pnr h LEU 151 N 0.36 0.98 -0.75 0.59 3.38 -0.89 0.44 115.31 119.41 2pnr h LEU 151 Ca 0.10 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 57.88 2pnr h LEU 151 Cb 0.14 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 2pnr h LEU 151 CO -0.01 1.06 0.40 0.44 0.09 0.00 0.00 178.44 180.42 2pnr h ASP 152 N 0.89 0.54 -0.03 -0.43 3.45 -1.38 -0.78 116.42 118.68 2pnr h ASP 152 Ca 0.15 0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.59 2pnr h ASP 152 Cb 0.60 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 2pnr h ASP 152 CO 0.04 0.30 -0.27 0.03 -1.57 0.00 0.00 179.24 177.77 2pnr h ARG 153 N 0.67 0.23 0.02 3.56 3.08 -1.41 -1.84 114.38 118.68 2pnr h ARG 153 Ca 0.37 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 60.24 2pnr h ARG 153 Cb 0.37 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 2pnr h ARG 153 CO -0.26 0.90 -0.32 0.35 -1.07 0.00 0.00 179.97 179.56 2pnr h PHE 154 N -0.36 -0.89 -0.51 3.04 3.57 0.14 0.18 116.94 122.11 2pnr h PHE 154 Ca -0.03 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2pnr h PHE 154 Cb 0.97 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 2pnr h PHE 154 CO 0.15 -0.42 -0.06 1.88 -2.23 0.00 0.00 178.31 177.63 2pnr h TYR 155 N -0.49 1.06 -0.86 0.41 0.05 -1.26 -0.38 116.97 115.49 2pnr h TYR 155 Ca 0.05 -0.21 0.10 0.00 0.05 0.00 0.00 58.73 58.73 2pnr h TYR 155 Cb 0.57 -0.27 -0.06 0.00 1.01 0.00 0.00 36.73 37.98 2pnr h TYR 155 CO -0.34 0.99 0.56 1.15 -1.05 0.00 0.00 178.16 179.47 2pnr h THR 156 N 0.82 0.95 -0.09 -2.88 2.02 -0.97 0.55 112.91 113.30 2pnr h THR 156 Ca 0.14 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 2pnr h THR 156 Cb 0.61 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2pnr h THR 156 CO 0.04 0.15 -0.35 -1.13 0.37 0.00 0.00 175.52 174.60 2pnr h ASN 157 N 0.82 0.47 -0.63 4.18 -1.24 -0.32 -2.29 115.58 116.57 2pnr h ASN 157 Ca 0.40 -0.62 0.09 0.00 0.71 0.00 0.00 56.30 56.88 2pnr h ASN 157 Cb 0.45 -0.14 -0.07 0.00 0.73 0.00 0.00 38.32 39.30 2pnr h ASN 157 CO -0.17 1.01 0.28 0.03 -1.29 0.00 0.00 177.43 177.29 2pnr h ARG 158 N -0.04 0.48 -0.95 6.67 2.47 0.05 -0.66 114.38 122.39 2pnr h ARG 158 Ca -0.02 -0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.70 2pnr h ARG 158 Cb 0.98 -0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 29.14 2pnr h ARG 158 CO 0.07 0.32 0.62 0.82 0.56 0.00 0.00 179.97 182.36 2pnr h ILE 159 N 0.49 1.21 -0.12 2.04 2.04 0.14 -2.57 117.51 120.74 2pnr h ILE 159 Ca 0.31 -0.43 -0.19 0.00 1.00 0.00 0.00 64.86 65.55 2pnr h ILE 159 Cb 0.34 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 2pnr h ILE 159 CO -0.27 0.23 -0.71 0.77 0.00 0.00 0.00 178.15 178.17 2pnr h SER 160 N 1.24 0.65 -0.35 1.72 4.64 -0.71 -3.01 113.55 117.73 2pnr h SER 160 Ca 0.36 -0.41 0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2pnr h SER 160 Cb -0.08 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.79 2pnr h SER 160 CO -0.10 1.16 0.18 0.15 -0.87 0.00 0.00 176.83 177.36 2pnr h PHE 161 N 0.39 0.33 -0.02 4.77 3.57 -0.82 -1.57 116.94 123.59 2pnr h PHE 161 Ca -0.03 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 2pnr h PHE 161 Cb 1.29 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 2pnr h PHE 161 CO 0.06 0.18 -0.46 -0.09 -2.23 0.00 0.00 178.31 175.77 2pnr h ARG 162 N 0.37 0.04 -0.28 1.11 2.43 -1.52 -2.63 114.38 113.91 2pnr h ARG 162 Ca 0.15 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2pnr h ARG 162 Cb 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2pnr h ARG 162 CO -0.10 0.50 0.14 1.98 -1.51 0.00 0.00 179.97 180.99 2pnr h MET 163 N 0.04 0.40 -0.17 0.20 4.05 -1.23 0.19 114.93 118.41 2pnr h MET 163 Ca -0.00 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 2pnr h MET 163 Cb 0.83 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 2pnr h MET 163 CO 0.06 0.37 0.06 -0.07 0.23 0.00 0.00 176.91 177.56 2pnr h LEU 164 N 0.32 0.25 -0.51 3.39 3.38 -1.21 -2.89 115.31 118.04 2pnr h LEU 164 Ca 0.10 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2pnr h LEU 164 Cb 0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2pnr h LEU 164 CO -0.01 0.38 -0.03 0.40 0.09 0.00 0.00 178.44 179.26 2pnr h ILE 165 N 0.10 1.27 -0.93 1.22 2.04 -1.33 -2.79 117.51 117.09 2pnr h ILE 165 Ca 0.06 -1.13 0.05 0.00 1.00 0.00 0.00 64.86 64.84 2pnr h ILE 165 Cb 0.22 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 2pnr h ILE 165 CO -0.00 0.40 0.60 0.78 0.00 0.00 0.00 178.15 179.92 2pnr h ASN 166 N 0.78 0.96 0.68 1.72 4.21 -0.62 0.56 115.58 123.86 2pnr h ASN 166 Ca 0.14 0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.62 2pnr h ASN 166 Cb 0.56 -0.20 0.01 0.00 -1.12 0.00 0.00 38.32 37.57 2pnr h ASN 166 CO 0.03 0.63 -0.33 1.56 -1.29 0.00 0.00 177.43 178.04 2pnr h GLN 167 N 1.11 -0.88 -0.48 0.81 1.08 -1.44 -0.33 115.11 114.98 2pnr h GLN 167 Ca 0.39 0.06 0.09 0.00 -1.45 0.00 0.00 58.65 57.74 2pnr h GLN 167 Cb 0.12 0.20 -0.08 0.00 -0.05 0.00 0.00 27.48 27.67 2pnr h GLN 167 CO -0.16 -0.55 0.03 1.25 -0.95 0.00 0.00 178.83 178.45 2pnr h HIS 168 N -1.05 0.02 -0.20 2.96 2.76 -1.17 0.56 115.15 119.04 2pnr h HIS 168 Ca -0.09 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 57.93 2pnr h HIS 168 Cb 0.73 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.75 2pnr h HIS 168 CO -0.01 -0.08 -0.62 1.79 -1.30 0.00 0.00 177.93 177.72 2pnr h THR 169 N 0.15 1.31 -0.31 6.26 1.35 -0.91 0.25 112.91 121.00 2pnr h THR 169 Ca 0.24 -1.86 -0.10 0.00 -0.55 0.00 0.00 66.41 64.15 2pnr h THR 169 Cb 0.35 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 2pnr h THR 169 CO -0.37 0.58 -0.22 -0.07 -0.25 0.00 0.00 175.52 175.19 2pnr h LEU 170 N 0.50 0.58 -0.20 3.87 3.38 -0.39 0.47 115.31 123.52 2pnr h LEU 170 Ca -0.01 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.57 2pnr h LEU 170 Cb 1.20 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2pnr h LEU 170 CO 0.12 0.80 -0.92 -0.07 0.09 0.00 0.00 178.44 178.46 2pnr h LEU 171 N 0.52 0.12 -0.69 1.67 3.38 0.21 -3.40 115.31 117.12 2pnr h LEU 171 Ca 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2pnr h LEU 171 Cb 0.66 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2pnr h LEU 171 CO 0.05 0.97 0.00 0.49 0.09 0.00 0.00 178.44 180.04 2pnr n PHE 172 N -3.54 0.00 1.77 1.13 3.72 0.07 -4.54 117.46 116.06 2pnr n PHE 172 Ca -0.02 -0.01 0.15 0.00 -0.05 0.00 0.00 57.45 57.52 2pnr n PHE 172 Cb 0.85 -0.00 0.78 0.00 -0.94 0.00 0.00 39.48 40.18 2pnr n PHE 172 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pnr n GLY 173 N -0.01 -0.72 2.55 1.37 0.00 0.17 -4.91 105.19 103.63 2pnr n GLY 173 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 2pnr n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnr n GLY 174 N 1.09 -0.32 3.52 -0.02 0.00 -1.26 -4.74 105.19 103.46 2pnr n GLY 174 Ca 0.21 0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 2pnr n GLY 174 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pnr n ASP 175 N -1.20 1.00 -0.08 1.61 2.03 -1.26 -4.78 116.55 113.87 2pnr n ASP 175 Ca 0.03 -0.23 0.04 0.00 0.52 0.00 0.00 54.79 55.16 2pnr n ASP 175 Cb 0.33 -1.18 0.08 0.00 -0.72 0.00 0.00 41.12 39.63 2pnr n ASP 175 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pnr n THR 176 N 7.62 -0.10 -3.93 5.18 -2.24 -1.26 -3.00 114.28 116.55 2pnr n THR 176 Ca 0.54 0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 62.53 2pnr n THR 176 Cb 0.25 -0.74 -0.13 0.00 -2.10 0.00 0.00 70.33 67.61 2pnr n THR 176 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2pnr s ASN 177 N -4.98 4.49 -0.06 3.42 3.04 -1.26 -5.08 114.94 114.50 2pnr s ASN 177 Ca -0.03 -3.32 -0.33 0.00 0.04 0.00 0.00 52.86 49.22 2pnr s ASN 177 Cb 0.07 -1.63 -0.11 0.00 -1.54 0.00 0.00 41.25 38.04 2pnr s ASN 177 CO 0.18 -0.18 1.91 -2.65 -3.04 0.00 0.00 177.10 173.32 2pnr n PRO 178 N 2.70 2.33 -0.30 0.43 -0.02 -1.16 -4.90 135.00 134.07 2pnr n PRO 178 Ca 0.10 0.86 0.10 0.00 -2.02 0.00 0.00 63.50 62.54 2pnr n PRO 178 Cb 0.33 -2.73 0.27 0.00 -0.02 0.00 0.00 33.50 31.35 2pnr n PRO 178 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pnr h VAL 179 N 5.52 0.62 -3.61 -1.45 2.07 -1.98 -3.29 116.25 114.13 2pnr h VAL 179 Ca -0.49 -0.18 -0.66 0.00 0.82 0.00 0.00 66.70 66.19 2pnr h VAL 179 Cb 1.27 0.04 -0.39 0.00 -1.52 0.00 0.00 31.29 30.68 2pnr h VAL 179 CO 0.95 0.10 -0.67 -1.00 0.02 0.00 0.00 177.57 176.96 2pnr s HIS 180 N -5.93 3.63 -1.35 1.57 3.76 -1.26 -5.01 115.29 110.70 2pnr s HIS 180 Ca -0.12 -2.97 0.21 0.00 -0.15 0.00 0.00 55.06 52.03 2pnr s HIS 180 Cb 0.23 -2.95 1.01 0.00 1.11 0.00 0.00 32.58 31.99 2pnr s HIS 180 CO 0.78 -0.91 1.65 -2.30 -0.85 0.00 0.00 174.74 173.12 2pnr n PRO 181 N 4.05 0.24 -0.03 8.40 -0.02 -1.24 -3.79 135.00 142.60 2pnr n PRO 181 Ca 0.04 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2pnr n PRO 181 Cb 0.40 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.29 2pnr n PRO 181 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2pnr n LYS 182 N -1.32 1.30 -0.33 -0.52 4.01 -1.26 -5.02 118.16 115.01 2pnr n LYS 182 Ca 0.09 -0.06 -0.30 0.00 -0.51 0.00 0.00 58.31 57.53 2pnr n LYS 182 Cb 0.18 -1.29 0.29 0.00 -0.51 0.00 0.00 35.03 33.70 2pnr n LYS 182 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 2pnr s HIS 183 N -2.55 -0.36 -0.46 2.13 3.76 -1.25 -4.80 115.29 111.77 2pnr s HIS 183 Ca -0.05 0.70 0.03 0.00 -0.15 0.00 0.00 55.06 55.59 2pnr s HIS 183 Cb 0.05 -2.88 0.15 0.00 1.11 0.00 0.00 32.58 31.02 2pnr s HIS 183 CO 0.48 -4.91 0.31 0.42 -0.85 0.00 0.00 174.74 170.20 2pnr s ILE 184 N -2.24 1.05 0.00 0.60 -1.09 -0.68 -4.98 121.20 113.87 2pnr s ILE 184 Ca 0.68 -2.74 0.00 0.00 -2.23 0.00 0.00 60.65 56.37 2pnr s ILE 184 Cb -0.16 -1.73 0.00 0.00 -1.58 0.00 0.00 42.46 38.99 2pnr s ILE 184 CO 0.60 -1.05 0.00 0.61 -1.23 0.00 0.00 174.94 173.86 2pnr n GLY 185 N 3.11 1.58 1.06 6.18 0.00 -1.26 -2.83 105.19 113.02 2pnr n GLY 185 Ca 0.19 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.74 2pnr n GLY 185 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pnr n SER 186 N 8.31 3.96 -4.50 1.61 3.41 -1.26 -4.94 113.62 120.20 2pnr n SER 186 Ca 0.00 -2.59 -0.36 0.00 -0.26 0.00 0.00 58.87 55.66 2pnr n SER 186 Cb 0.00 -0.47 -0.12 0.00 -0.26 0.00 0.00 64.21 63.36 2pnr n SER 186 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2pnr s ILE 187 N -2.07 4.56 -0.41 -1.33 1.01 -1.13 -4.11 121.20 117.73 2pnr s ILE 187 Ca 0.40 -0.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.76 2pnr s ILE 187 Cb 0.28 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.64 2pnr s ILE 187 CO 0.15 0.34 0.58 -0.62 0.00 0.00 0.00 174.94 175.40 2pnr s ASP 188 N 1.45 6.31 0.56 3.58 -1.08 -0.47 -1.68 116.67 125.35 2pnr s ASP 188 Ca 0.06 -0.27 0.31 0.00 -0.52 0.00 0.00 52.55 52.14 2pnr s ASP 188 Cb -0.15 -2.30 1.67 0.00 -1.46 0.00 0.00 42.92 40.68 2pnr s ASP 188 CO 0.05 -0.67 2.14 1.55 0.52 0.00 0.00 175.17 178.76 2pnr h PRO 189 N 8.72 0.00 -2.08 4.34 0.13 -1.85 -3.00 132.00 138.25 2pnr h PRO 189 Ca -0.26 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.32 2pnr h PRO 189 Cb 1.11 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.83 2pnr h PRO 189 CO 0.85 0.07 -0.97 -2.37 -0.23 0.00 0.00 178.00 175.34 2pnr n THR 190 N -3.51 0.67 -2.72 1.56 5.66 -1.26 -4.40 114.28 110.27 2pnr n THR 190 Ca -0.02 -4.69 -0.43 0.00 -3.05 0.00 0.00 64.05 55.86 2pnr n THR 190 Cb 0.19 -1.30 -0.03 0.00 -1.55 0.00 0.00 70.33 67.64 2pnr n THR 190 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pnr s ASN 192 N 2.25 5.88 0.26 0.00 2.47 -1.26 -0.88 114.94 123.66 2pnr s ASN 192 Ca 0.42 -0.23 -0.01 0.00 0.42 0.00 0.00 52.86 53.45 2pnr s ASN 192 Cb -0.09 -2.55 0.51 0.00 -1.45 0.00 0.00 41.25 37.67 2pnr s ASN 192 CO 0.27 -2.01 1.77 0.58 -3.72 0.00 0.00 177.10 174.00 2pnr h VAL 193 N 6.32 0.77 -0.12 -5.21 2.07 -1.84 0.15 116.25 118.38 2pnr h VAL 193 Ca -0.26 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.06 2pnr h VAL 193 Cb 1.08 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2pnr h VAL 193 CO 1.26 0.12 0.10 0.00 0.02 0.00 0.00 177.57 179.08 2pnr h ALA 194 N 1.54 2.01 -0.02 1.67 0.00 -1.90 -0.84 119.26 121.71 2pnr h ALA 194 Ca 0.45 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 55.11 2pnr h ALA 194 Cb 0.60 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.41 2pnr h ALA 194 CO -0.34 -0.16 -0.96 -0.44 0.00 0.00 0.00 179.25 177.35 2pnr h ASP 195 N 0.00 0.88 0.47 0.00 3.32 -1.09 -2.27 116.42 117.74 2pnr h ASP 195 Ca 0.06 -0.73 -0.08 0.00 0.02 0.00 0.00 57.03 56.30 2pnr h ASP 195 Cb 0.26 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2pnr h ASP 195 CO -0.00 1.49 -0.39 0.58 -1.72 0.00 0.00 179.24 179.20 2pnr h VAL 196 N 0.36 1.18 -0.24 -1.35 2.07 -1.07 -2.38 116.25 114.81 2pnr h VAL 196 Ca -0.12 -1.38 -0.13 0.00 0.82 0.00 0.00 66.70 65.90 2pnr h VAL 196 Cb 1.62 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 33.15 2pnr h VAL 196 CO 0.19 0.38 -0.35 0.58 0.02 0.00 0.00 177.57 178.39 2pnr h VAL 197 N 0.00 1.31 -0.26 2.57 2.07 -1.15 -2.06 116.25 118.74 2pnr h VAL 197 Ca -0.00 -1.55 -0.07 0.00 0.82 0.00 0.00 66.70 65.90 2pnr h VAL 197 Cb 0.73 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 2pnr h VAL 197 CO 0.05 0.49 -0.13 0.11 0.02 0.00 0.00 177.57 178.10 2pnr h LYS 198 N 0.38 0.44 0.37 1.57 1.57 -1.15 -2.00 116.57 117.76 2pnr h LYS 198 Ca 0.03 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2pnr h LYS 198 Cb 0.94 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2pnr h LYS 198 CO 0.08 0.57 -0.18 -0.44 -0.57 0.00 0.00 179.45 178.92 2pnr h ASP 199 N 0.41 -0.42 -1.21 0.86 3.32 -1.42 -1.05 116.42 116.89 2pnr h ASP 199 Ca 0.08 -0.01 0.38 0.00 0.02 0.00 0.00 57.03 57.50 2pnr h ASP 199 Cb 0.48 0.11 -0.12 0.00 0.22 0.00 0.00 39.33 40.02 2pnr h ASP 199 CO 0.03 0.02 0.78 0.00 -1.72 0.00 0.00 179.24 178.35 2pnr h ALA 200 N -1.09 2.55 -0.01 3.45 0.00 -1.37 0.31 119.26 123.10 2pnr h ALA 200 Ca -0.05 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2pnr h ALA 200 Cb 0.40 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2pnr h ALA 200 CO 0.08 -1.11 -0.03 -0.92 0.00 0.00 0.00 179.25 177.28 2pnr h TYR 201 N 0.19 0.05 -0.37 0.00 3.20 -1.31 -2.70 116.97 116.03 2pnr h TYR 201 Ca 0.74 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.67 2pnr h TYR 201 Cb 2.20 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 40.40 2pnr h TYR 201 CO -0.00 0.62 -0.05 0.93 -1.64 0.00 0.00 178.16 178.02 2pnr h GLU 202 N -0.54 0.04 0.68 1.82 4.39 0.40 -0.06 114.58 121.31 2pnr h GLU 202 Ca -0.00 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2pnr h GLU 202 Cb 0.62 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2pnr h GLU 202 CO 0.01 0.03 -0.33 1.79 -1.16 0.00 0.00 179.01 179.35 2pnr h THR 203 N 0.05 0.32 -0.90 1.13 1.35 -1.39 -0.16 112.91 113.31 2pnr h THR 203 Ca 0.18 -0.04 0.26 0.00 -0.55 0.00 0.00 66.41 66.26 2pnr h THR 203 Cb 0.26 0.34 -0.04 0.00 -1.73 0.00 0.00 68.15 66.99 2pnr h THR 203 CO -0.34 0.01 0.76 0.00 -0.25 0.00 0.00 175.52 175.70 2pnr h ALA 204 N -0.62 2.77 0.00 6.62 0.00 -1.24 0.33 119.26 127.12 2pnr h ALA 204 Ca -0.09 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.52 2pnr h ALA 204 Cb 0.71 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.58 2pnr h ALA 204 CO 0.15 -1.23 -1.03 -0.22 0.00 0.00 0.00 179.25 176.92 2pnr h LYS 205 N 0.00 0.65 -0.41 0.00 3.64 0.06 -2.12 116.57 118.39 2pnr h LYS 205 Ca 0.43 -0.70 -0.13 0.00 -1.27 0.00 0.00 60.65 58.98 2pnr h LYS 205 Cb 1.95 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.96 2pnr h LYS 205 CO -0.00 1.29 -0.25 1.98 -2.27 0.00 0.00 179.45 180.19 2pnr h MET 206 N 0.36 0.86 -0.42 1.90 4.05 0.14 0.22 114.93 122.04 2pnr h MET 206 Ca -0.12 -0.37 -0.04 0.00 -0.28 0.00 0.00 59.70 58.89 2pnr h MET 206 Cb 1.68 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.44 2pnr h MET 206 CO 0.20 1.01 0.12 -0.07 0.23 0.00 0.00 176.91 178.41 2pnr h LEU 207 N 0.74 0.62 -0.26 3.39 3.38 -1.46 -0.80 115.31 120.91 2pnr h LEU 207 Ca 0.09 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.89 2pnr h LEU 207 Cb 0.80 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2pnr h LEU 207 CO 0.07 0.67 0.02 0.00 0.09 0.00 0.00 178.44 179.28 2pnr h GLU 209 N 0.10 -0.32 -0.37 0.00 4.57 -0.27 0.31 114.58 118.60 2pnr h GLU 209 Ca 0.12 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 2pnr h GLU 209 Cb 0.15 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 2pnr h GLU 209 CO -0.19 -0.22 -0.00 1.96 -1.18 0.00 0.00 179.01 179.38 2pnr h GLN 210 N -0.34 0.59 0.00 1.92 1.08 -0.75 0.49 115.11 118.11 2pnr h GLN 210 Ca 0.10 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2pnr h GLN 210 Cb 0.49 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2pnr h GLN 210 CO -0.33 0.62 -1.29 0.66 -0.95 0.00 0.00 178.83 177.54 2pnr n TYR 211 N -4.26 0.08 0.00 2.96 4.02 -0.41 -4.56 117.16 114.99 2pnr n TYR 211 Ca 0.02 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 2pnr n TYR 211 Cb 0.26 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 2pnr n TYR 211 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2pnr n TYR 212 N -1.85 0.00 -1.11 -0.72 4.01 0.11 -4.99 117.16 112.60 2pnr n TYR 212 Ca 0.01 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.71 2pnr n TYR 212 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.44 2pnr n TYR 212 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2pnr n LEU 213 N -1.30 -0.09 -3.78 7.72 4.77 0.17 -4.97 117.00 119.52 2pnr n LEU 213 Ca 0.00 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 2pnr n LEU 213 Cb 0.11 -1.30 -0.06 0.00 -2.33 0.00 0.00 43.42 39.83 2pnr n LEU 213 CO 0.00 -0.38 -0.00 -0.69 -1.33 0.00 0.00 177.39 174.98 2pnr s VAL 214 N -1.96 0.11 -0.28 4.08 1.01 -1.26 -4.98 120.40 117.13 2pnr s VAL 214 Ca 0.00 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.82 2pnr s VAL 214 Cb 0.00 -1.22 0.13 0.00 0.00 0.00 0.00 36.38 35.29 2pnr s VAL 214 CO 0.00 -0.51 1.03 0.00 0.00 0.00 0.00 175.10 175.62 2pnr s ALA 215 N -3.62 -2.03 0.37 5.51 0.00 -1.26 -3.81 121.76 116.92 2pnr s ALA 215 Ca 0.03 1.93 -0.27 0.00 0.00 0.00 0.00 51.96 53.65 2pnr s ALA 215 Cb 0.03 -1.49 -0.09 0.00 0.00 0.00 0.00 23.12 21.57 2pnr s ALA 215 CO -0.10 -0.25 1.21 -2.14 0.00 0.00 0.00 175.76 174.47 2pnr s PRO 216 N 0.42 4.18 0.62 0.00 0.02 -1.26 -4.95 135.00 134.03 2pnr s PRO 216 Ca 0.01 1.96 -0.13 0.00 0.02 0.00 0.00 61.00 62.86 2pnr s PRO 216 Cb -0.05 -2.84 -0.03 0.00 0.02 0.00 0.00 34.50 31.61 2pnr s PRO 216 CO -0.08 -0.25 1.04 -1.21 -0.33 0.00 0.00 177.00 176.17 2pnr s GLU 217 N -2.07 3.31 0.21 5.54 2.02 -1.26 -4.68 118.70 121.77 2pnr s GLU 217 Ca 0.54 1.00 0.03 0.00 0.02 0.00 0.00 54.97 56.56 2pnr s GLU 217 Cb -0.34 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 2pnr s GLU 217 CO 0.43 -0.80 0.35 -1.17 0.02 0.00 0.00 175.26 174.09 2pnr s LEU 218 N -4.93 4.30 -0.07 1.80 2.96 -1.26 0.26 118.68 121.75 2pnr s LEU 218 Ca 0.59 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 54.64 2pnr s LEU 218 Cb -0.14 -2.94 0.04 0.00 0.50 0.00 0.00 46.19 43.66 2pnr s LEU 218 CO 0.45 -0.04 0.13 -1.61 -1.32 0.00 0.00 176.35 173.97 2pnr s GLU 219 N -3.65 0.02 -0.04 1.98 2.02 -0.85 -4.86 118.70 113.32 2pnr s GLU 219 Ca 0.35 0.45 0.06 0.00 0.02 0.00 0.00 54.97 55.85 2pnr s GLU 219 Cb -0.10 -0.29 -0.01 0.00 0.10 0.00 0.00 34.13 33.83 2pnr s GLU 219 CO 0.29 -0.26 -0.21 0.08 0.02 0.00 0.00 175.26 175.17 2pnr s VAL 220 N 1.89 1.74 0.00 2.63 1.01 -1.26 0.20 120.40 126.61 2pnr s VAL 220 Ca -0.01 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.10 2pnr s VAL 220 Cb -0.12 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 2pnr s VAL 220 CO -0.05 0.49 -0.12 -1.61 0.00 0.00 0.00 175.10 173.81 2pnr s GLU 221 N -0.22 0.89 0.10 2.72 0.41 -0.86 -4.99 118.70 116.75 2pnr s GLU 221 Ca 0.00 -0.48 0.09 0.00 -0.41 0.00 0.00 54.97 54.17 2pnr s GLU 221 Cb -0.11 -0.86 -0.04 0.00 -1.78 0.00 0.00 34.13 31.34 2pnr s GLU 221 CO 0.02 0.23 -0.23 -1.21 -0.49 0.00 0.00 175.26 173.58 2pnr s GLU 222 N -0.48 1.23 -0.14 1.61 2.02 -1.26 -2.17 118.70 119.51 2pnr s GLU 222 Ca 0.03 -1.19 -0.04 0.00 0.02 0.00 0.00 54.97 53.79 2pnr s GLU 222 Cb -0.05 -1.54 0.06 0.00 0.10 0.00 0.00 34.13 32.69 2pnr s GLU 222 CO -0.00 0.36 0.11 0.12 0.02 0.00 0.00 175.26 175.87 2pnr s PHE 223 N -1.10 0.07 -0.63 1.61 2.19 -0.50 -4.99 117.98 114.63 2pnr s PHE 223 Ca 0.09 -0.04 -0.13 0.00 0.33 0.00 0.00 56.93 57.18 2pnr s PHE 223 Cb -0.10 -0.57 0.16 0.00 -1.31 0.00 0.00 43.02 41.21 2pnr s PHE 223 CO 0.04 -0.43 0.56 1.21 1.83 0.00 0.00 175.22 178.43 2pnr s ASN 224 N 2.18 6.20 0.36 6.13 3.84 -1.26 -1.98 114.94 130.41 2pnr s ASN 224 Ca 0.03 -2.23 0.07 0.00 0.21 0.00 0.00 52.86 50.94 2pnr s ASN 224 Cb -0.15 -2.14 0.68 0.00 -0.55 0.00 0.00 41.25 39.09 2pnr s ASN 224 CO -0.08 -0.68 1.89 0.00 -2.79 0.00 0.00 177.10 175.44 2pnr h ALA 225 N 8.24 1.42 0.59 1.71 0.00 -1.77 0.58 119.26 130.04 2pnr h ALA 225 Ca -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2pnr h ALA 225 Cb 1.06 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.74 2pnr h ALA 225 CO 0.87 0.40 -0.28 -0.22 0.00 0.00 0.00 179.25 180.02 2pnr h LYS 226 N 0.37 -0.77 -2.34 0.00 1.63 -1.86 -3.39 116.57 110.21 2pnr h LYS 226 Ca 0.08 0.05 -0.59 0.00 -0.85 0.00 0.00 60.65 59.34 2pnr h LYS 226 Cb 0.37 0.17 -0.39 0.00 -0.60 0.00 0.00 32.23 31.79 2pnr h LYS 226 CO 0.02 -0.48 -0.97 0.00 -3.45 0.00 0.00 179.45 174.57 2pnr n ALA 227 N -2.48 2.84 0.00 5.00 0.00 -1.18 -5.04 120.51 119.65 2pnr n ALA 227 Ca -0.13 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 50.02 2pnr n ALA 227 Cb 0.34 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2pnr n ALA 227 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2pnr n PRO 228 N 2.46 0.00 0.00 0.00 -0.02 0.19 -0.27 135.00 137.36 2pnr n PRO 228 Ca 0.28 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2pnr n PRO 228 Cb 0.48 -0.26 0.00 0.00 -0.02 0.00 0.00 33.50 33.70 2pnr n PRO 228 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2pnr n ASP 229 N -0.09 0.00 -4.71 2.55 8.00 -1.26 -4.75 116.55 116.29 2pnr n ASP 229 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 2pnr n ASP 229 Cb 0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 2pnr n ASP 229 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2pnr s LYS 230 N 0.00 4.30 0.32 -1.24 2.20 0.63 -4.94 119.74 121.00 2pnr s LYS 230 Ca 0.00 2.12 -0.29 0.00 -0.36 0.00 0.00 55.97 57.44 2pnr s LYS 230 Cb 0.00 -3.27 -0.10 0.00 -1.51 0.00 0.00 37.83 32.94 2pnr s LYS 230 CO 0.00 -0.48 1.41 -1.25 -0.36 0.00 0.00 175.35 174.67 2pnr s PRO 231 N 1.26 4.25 -0.17 4.03 0.04 -1.26 -4.81 135.00 138.34 2pnr s PRO 231 Ca 0.66 2.36 -0.29 0.00 0.04 0.00 0.00 61.00 63.77 2pnr s PRO 231 Cb -0.38 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 2pnr s PRO 231 CO 0.30 -0.38 1.76 0.42 0.04 0.00 0.00 177.00 179.14 2pnr s ILE 232 N -0.73 3.49 0.25 0.56 1.01 -1.26 -4.99 121.20 119.53 2pnr s ILE 232 Ca 0.54 0.55 0.11 0.00 0.00 0.00 0.00 60.65 61.85 2pnr s ILE 232 Cb -0.43 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 2pnr s ILE 232 CO 0.52 -0.20 -0.19 -1.10 0.00 0.00 0.00 174.94 173.98 2pnr s GLN 233 N 4.87 1.55 0.17 2.79 -0.21 -1.26 -2.44 119.66 125.12 2pnr s GLN 233 Ca 0.78 -1.69 -0.20 0.00 0.02 0.00 0.00 55.36 54.28 2pnr s GLN 233 Cb -0.29 -1.57 0.05 0.00 1.00 0.00 0.00 33.01 32.20 2pnr s GLN 233 CO 0.32 0.29 0.54 0.54 -2.12 0.00 0.00 175.29 174.85 2pnr s VAL 234 N -2.57 0.02 -0.52 1.09 0.11 -0.06 -4.91 120.40 113.56 2pnr s VAL 234 Ca 0.27 -0.40 -0.20 0.00 -2.93 0.00 0.00 61.98 58.71 2pnr s VAL 234 Cb -0.04 -1.25 0.05 0.00 -1.53 0.00 0.00 36.38 33.62 2pnr s VAL 234 CO 0.12 -0.11 0.70 -0.69 -3.33 0.00 0.00 175.10 171.79 2pnr s VAL 235 N -3.81 4.75 0.30 2.04 1.01 -1.26 -1.18 120.40 122.26 2pnr s VAL 235 Ca 0.04 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 2pnr s VAL 235 Cb -0.01 -4.36 0.02 0.00 0.00 0.00 0.00 36.38 32.04 2pnr s VAL 235 CO -0.09 -0.88 0.68 -0.47 0.00 0.00 0.00 175.10 174.34 2pnr s TYR 236 N 2.96 0.05 -0.57 5.22 5.04 -1.13 -4.87 117.35 124.05 2pnr s TYR 236 Ca 0.19 -0.52 -0.22 0.00 -2.44 0.00 0.00 57.07 54.08 2pnr s TYR 236 Cb -0.17 0.60 0.06 0.00 0.35 0.00 0.00 41.96 42.79 2pnr s TYR 236 CO 0.14 -1.26 0.84 0.08 -1.34 0.00 0.00 175.55 174.00 2pnr s VAL 237 N -3.54 4.55 0.28 3.14 1.01 -1.26 -1.36 120.40 123.21 2pnr s VAL 237 Ca 0.15 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 2pnr s VAL 237 Cb -0.05 -4.50 0.38 0.00 0.00 0.00 0.00 36.38 32.22 2pnr s VAL 237 CO 0.09 -1.10 1.59 -0.65 0.00 0.00 0.00 175.10 175.02 2pnr h PRO 238 N 9.27 0.03 0.07 2.72 0.11 -1.94 -1.36 132.00 140.90 2pnr h PRO 238 Ca -0.27 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.85 2pnr h PRO 238 Cb 1.08 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2pnr h PRO 238 CO 1.07 0.02 -0.14 0.66 -0.21 0.00 0.00 178.00 179.40 2pnr h SER 239 N 0.03 -0.39 -0.15 -2.05 4.64 -1.92 0.12 113.55 113.83 2pnr h SER 239 Ca 0.49 0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.88 2pnr h SER 239 Cb 0.89 0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 2pnr h SER 239 CO -0.87 -0.20 -0.35 0.45 -0.87 0.00 0.00 176.83 174.98 2pnr h HIS 240 N -0.27 -1.06 -0.32 4.77 3.86 -1.65 -1.79 115.15 118.69 2pnr h HIS 240 Ca 0.03 0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.35 2pnr h HIS 240 Cb 0.29 0.48 -0.07 0.00 1.06 0.00 0.00 27.41 29.17 2pnr h HIS 240 CO -0.16 -0.34 -0.17 1.25 0.86 0.00 0.00 177.93 179.37 2pnr h LEU 241 N -0.33 -0.56 -0.80 2.43 5.85 -1.41 -1.87 115.31 118.64 2pnr h LEU 241 Ca 0.03 0.13 0.17 0.00 0.84 0.00 0.00 57.88 59.05 2pnr h LEU 241 Cb 0.42 0.30 -0.15 0.00 0.37 0.00 0.00 40.66 41.60 2pnr h LEU 241 CO -0.32 -0.20 -0.13 0.15 -0.34 0.00 0.00 178.44 177.60 2pnr h PHE 242 N -0.12 -0.31 0.22 1.25 3.57 -0.35 -1.27 116.94 119.94 2pnr h PHE 242 Ca 0.16 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2pnr h PHE 242 Cb 0.37 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.37 2pnr h PHE 242 CO -0.37 -0.32 -0.11 0.45 -2.23 0.00 0.00 178.31 175.73 2pnr h HIS 243 N 0.02 -0.27 -0.87 0.41 3.86 -0.51 0.57 115.15 118.36 2pnr h HIS 243 Ca 0.40 -0.01 0.18 0.00 -1.16 0.00 0.00 60.37 59.79 2pnr h HIS 243 Cb 0.66 0.09 -0.11 0.00 1.06 0.00 0.00 27.41 29.11 2pnr h HIS 243 CO -0.57 0.00 0.42 0.52 0.86 0.00 0.00 177.93 179.17 2pnr h MET 244 N -0.54 0.51 -0.09 2.45 2.86 -1.09 0.19 114.93 119.23 2pnr h MET 244 Ca -0.03 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2pnr h MET 244 Cb 0.40 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 2pnr h MET 244 CO 0.05 0.34 0.03 -0.07 1.06 0.00 0.00 176.91 178.32 2pnr h LEU 245 N 0.53 0.13 -0.49 1.22 3.38 -1.03 -2.45 115.31 116.60 2pnr h LEU 245 Ca 0.51 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.37 2pnr h LEU 245 Cb 0.83 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 2pnr h LEU 245 CO -0.43 0.29 0.11 0.15 0.09 0.00 0.00 178.44 178.64 2pnr h PHE 246 N -0.03 0.18 -0.05 1.13 3.57 0.16 0.00 116.94 121.89 2pnr h PHE 246 Ca 0.03 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2pnr h PHE 246 Cb 0.20 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 2pnr h PHE 246 CO -0.01 0.01 -0.45 1.49 -2.23 0.00 0.00 178.31 177.12 2pnr h GLU 247 N 0.25 -0.51 -0.14 1.11 4.57 -0.58 0.89 114.58 120.17 2pnr h GLU 247 Ca 0.24 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.50 2pnr h GLU 247 Cb 0.31 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.96 2pnr h GLU 247 CO -0.31 -0.34 -0.29 -0.07 -1.18 0.00 0.00 179.01 176.83 2pnr h LEU 248 N -0.53 -0.89 -1.78 1.64 3.38 -0.97 -2.05 115.31 114.11 2pnr h LEU 248 Ca 0.02 0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.19 2pnr h LEU 248 Cb 0.59 0.39 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2pnr h LEU 248 CO -0.33 -0.33 0.28 -0.26 0.09 0.00 0.00 178.44 177.89 2pnr h PHE 249 N -0.36 0.27 0.10 1.13 0.04 -0.61 -1.16 116.94 116.36 2pnr h PHE 249 Ca 0.10 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 2pnr h PHE 249 Cb 0.51 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.57 2pnr h PHE 249 CO -0.38 0.15 -0.05 -0.22 -0.60 0.00 0.00 178.31 177.20 2pnr h LYS 250 N 0.27 -0.13 -0.28 1.51 3.11 -0.14 -2.77 116.57 118.15 2pnr h LYS 250 Ca 0.18 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 58.03 2pnr h LYS 250 Cb 0.37 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 2pnr h LYS 250 CO -0.04 0.09 0.17 -0.91 -2.81 0.00 0.00 179.45 175.96 2pnr h ASN 251 N -0.34 0.33 -0.85 4.20 2.35 -0.87 -0.59 115.58 119.80 2pnr h ASN 251 Ca -0.01 -0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.73 2pnr h ASN 251 Cb 0.29 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.52 2pnr h ASN 251 CO 0.02 0.27 0.54 0.28 -1.65 0.00 0.00 177.43 176.90 2pnr h SER 252 N 0.36 0.90 0.07 5.81 0.02 -1.30 -1.64 113.55 117.77 2pnr h SER 252 Ca 0.10 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.86 2pnr h SER 252 Cb -0.00 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.34 2pnr h SER 252 CO -0.02 0.61 -0.66 0.24 -1.14 0.00 0.00 176.83 175.87 2pnr h MET 253 N 1.05 0.56 0.97 3.45 2.86 -1.24 -1.18 114.93 121.40 2pnr h MET 253 Ca 0.34 -0.41 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 2pnr h MET 253 Cb 0.02 0.07 0.01 0.00 0.06 0.00 0.00 31.60 31.76 2pnr h MET 253 CO -0.12 1.03 -0.46 -0.09 1.06 0.00 0.00 176.91 178.32 2pnr h ARG 254 N 0.40 -1.25 -0.75 1.72 2.43 -0.58 -2.56 114.38 113.80 2pnr h ARG 254 Ca -0.02 0.09 0.17 0.00 -0.81 0.00 0.00 59.98 59.40 2pnr h ARG 254 Cb 1.23 0.28 -0.11 0.00 -0.42 0.00 0.00 29.97 30.95 2pnr h ARG 254 CO 0.12 -0.83 0.16 0.00 -1.51 0.00 0.00 179.97 177.91 2pnr h ALA 255 N -1.40 0.95 0.45 2.80 0.00 -1.35 -0.48 119.26 120.23 2pnr h ALA 255 Ca -0.13 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2pnr h ALA 255 Cb 0.99 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2pnr h ALA 255 CO 0.22 -0.36 -0.22 1.15 0.00 0.00 0.00 179.25 180.04 2pnr h THR 256 N 0.24 0.56 -0.16 0.00 2.02 -1.19 -2.56 112.91 111.82 2pnr h THR 256 Ca 0.42 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.57 2pnr h THR 256 Cb 0.74 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2pnr h THR 256 CO -0.54 0.01 0.06 0.58 0.37 0.00 0.00 175.52 176.00 2pnr h VAL 257 N -0.63 0.97 -0.15 3.16 2.07 -1.09 -0.48 116.25 120.09 2pnr h VAL 257 Ca -0.06 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.45 2pnr h VAL 257 Cb 0.48 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2pnr h VAL 257 CO 0.10 0.03 0.16 -0.08 0.02 0.00 0.00 177.57 177.80 2pnr h GLU 258 N 0.14 0.00 0.07 1.57 4.81 -1.07 -0.77 114.58 119.33 2pnr h GLU 258 Ca 0.07 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.94 2pnr h GLU 258 Cb 0.04 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2pnr h GLU 258 CO -0.07 0.00 -2.01 -0.11 -0.73 0.00 0.00 179.01 176.09 2pnr n LEU 259 N -3.84 2.54 -0.56 1.64 7.94 -0.81 -4.25 117.00 119.67 2pnr n LEU 259 Ca 0.01 0.19 0.05 0.00 -1.11 0.00 0.00 56.01 55.15 2pnr n LEU 259 Cb 0.28 -1.04 0.16 0.00 0.53 0.00 0.00 43.42 43.35 2pnr n LEU 259 CO 0.28 0.76 0.63 -1.22 -1.11 0.00 0.00 177.39 176.73 2pnr n TYR 260 N -3.64 0.39 0.06 1.96 4.01 -0.25 -4.14 117.16 115.55 2pnr n TYR 260 Ca -0.36 -0.19 -0.13 0.00 -0.16 0.00 0.00 57.90 57.06 2pnr n TYR 260 Cb 0.97 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.92 2pnr n TYR 260 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2pnr h GLU 261 N 1.80 -0.10 -0.00 -0.72 4.81 -1.32 -3.13 114.58 115.92 2pnr h GLU 261 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2pnr h GLU 261 Cb 0.41 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2pnr h GLU 261 CO 0.00 0.09 -0.28 -0.40 -0.73 0.00 0.00 179.01 177.68 2pnr n ASP 262 N -5.06 0.35 -3.24 1.04 5.75 -1.26 -4.81 116.55 109.33 2pnr n ASP 262 Ca -0.08 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 2pnr n ASP 262 Cb 0.14 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 2pnr n ASP 262 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2pnr n ARG 263 N -1.41 1.38 -1.07 0.11 5.12 -1.18 -5.04 116.66 114.56 2pnr n ARG 263 Ca 0.07 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.94 2pnr n ARG 263 Cb 0.33 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.58 2pnr n ARG 263 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2pnr n LYS 264 N 0.00 0.00 -0.58 5.56 4.81 -1.26 -4.92 118.16 121.76 2pnr n LYS 264 Ca 0.00 -1.15 0.06 0.00 -0.87 0.00 0.00 58.31 56.35 2pnr n LYS 264 Cb 0.00 0.42 0.28 0.00 0.02 0.00 0.00 35.03 35.75 2pnr n LYS 264 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2pnr n GLU 265 N 0.08 3.15 0.00 1.64 4.71 -1.26 -5.08 120.64 123.87 2pnr n GLU 265 Ca -0.23 -2.94 0.00 0.00 -0.01 0.00 0.00 57.16 53.98 2pnr n GLU 265 Cb 0.77 -1.93 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 2pnr n GLU 265 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2pnr n GLY 266 N -0.39 0.16 2.96 0.62 0.00 -1.26 -4.79 105.19 102.48 2pnr n GLY 266 Ca 0.25 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 2pnr n GLY 266 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pnr s TYR 267 N 0.00 1.14 0.21 1.61 2.02 -1.26 -4.87 117.35 116.20 2pnr s TYR 267 Ca 0.00 -0.40 -0.32 0.00 -0.37 0.00 0.00 57.07 55.98 2pnr s TYR 267 Cb 0.00 -0.90 -0.12 0.00 -0.40 0.00 0.00 41.96 40.54 2pnr s TYR 267 CO 0.00 -0.25 1.70 -2.30 -1.57 0.00 0.00 175.55 173.12 2pnr n PRO 268 N 4.00 2.70 -1.07 -1.71 -0.02 -1.26 -4.54 135.00 133.10 2pnr n PRO 268 Ca -0.23 0.97 -0.33 0.00 -2.02 0.00 0.00 63.50 61.89 2pnr n PRO 268 Cb 0.51 -2.81 0.13 0.00 -0.02 0.00 0.00 33.50 31.32 2pnr n PRO 268 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pnr s ALA 269 N 1.03 1.80 -0.27 3.55 0.00 -1.26 -4.52 121.76 122.09 2pnr s ALA 269 Ca 0.74 0.81 -0.10 0.00 0.00 0.00 0.00 51.96 53.41 2pnr s ALA 269 Cb -0.52 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.07 2pnr s ALA 269 CO 0.34 -2.34 0.16 0.08 0.00 0.00 0.00 175.76 174.00 2pnr s VAL 270 N -2.21 5.05 0.08 0.00 1.01 0.14 -4.80 120.40 119.67 2pnr s VAL 270 Ca 0.72 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.72 2pnr s VAL 270 Cb -0.28 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2pnr s VAL 270 CO 0.51 0.28 0.34 -0.54 0.00 0.00 0.00 175.10 175.69 2pnr s LYS 271 N 1.66 3.63 -0.04 2.72 1.02 -0.68 -2.00 119.74 126.05 2pnr s LYS 271 Ca 0.07 -0.03 0.03 0.00 0.02 0.00 0.00 55.97 56.06 2pnr s LYS 271 Cb -0.16 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 2pnr s LYS 271 CO 0.09 0.56 -0.13 0.99 -0.92 0.00 0.00 175.35 175.93 2pnr s THR 272 N -1.46 1.14 -0.18 2.17 2.01 0.13 -0.31 115.64 119.15 2pnr s THR 272 Ca 0.34 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.80 2pnr s THR 272 Cb -0.13 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.41 2pnr s THR 272 CO 0.20 0.34 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.14 2pnr s LEU 273 N 0.22 1.99 -0.16 4.42 2.96 0.15 -2.04 118.68 126.22 2pnr s LEU 273 Ca -0.06 -0.72 -0.04 0.00 -0.22 0.00 0.00 54.13 53.09 2pnr s LEU 273 Cb -0.11 -1.18 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 2pnr s LEU 273 CO 0.02 -0.12 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.22 2pnr s VAL 274 N 1.46 4.02 0.03 1.68 1.01 -0.92 0.22 120.40 127.89 2pnr s VAL 274 Ca 0.01 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2pnr s VAL 274 Cb -0.15 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 2pnr s VAL 274 CO -0.09 0.48 -0.08 0.42 0.00 0.00 0.00 175.10 175.83 2pnr s THR 275 N 0.44 0.62 -0.20 3.92 -4.23 0.58 -1.41 115.64 115.35 2pnr s THR 275 Ca -0.02 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 2pnr s THR 275 Cb -0.14 -0.62 0.04 0.00 1.34 0.00 0.00 72.50 73.12 2pnr s THR 275 CO 0.02 -0.18 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.60 2pnr s LEU 276 N -1.13 2.35 0.00 4.79 2.96 -0.84 -0.25 118.68 126.57 2pnr s LEU 276 Ca -0.05 -0.91 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 2pnr s LEU 276 Cb -0.08 -1.26 0.00 0.00 0.50 0.00 0.00 46.19 45.35 2pnr s LEU 276 CO 0.00 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 2pnr n GLY 277 N 4.66 4.56 0.37 7.98 0.00 0.04 -1.93 105.19 120.87 2pnr n GLY 277 Ca -0.15 -2.05 0.02 0.00 0.00 0.00 0.00 46.02 43.83 2pnr n GLY 277 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2pnr h LYS 278 N 0.00 1.11 0.00 1.61 3.64 -1.99 -3.36 116.57 117.58 2pnr h LYS 278 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2pnr h LYS 278 Cb 0.00 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 2pnr h LYS 278 CO 0.00 0.74 0.00 -0.85 -2.27 0.00 0.00 179.45 177.07 2pnr n GLU 279 N -4.45 -0.00 -4.85 1.90 0.28 -1.26 -4.81 120.64 107.45 2pnr n GLU 279 Ca 0.13 -0.12 -0.26 0.00 -0.16 0.00 0.00 57.16 56.74 2pnr n GLU 279 Cb 0.12 -0.51 -0.16 0.00 1.43 0.00 0.00 31.44 32.32 2pnr n GLU 279 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2pnr s ASP 280 N -0.00 2.18 -0.29 -1.84 1.11 -1.26 -1.92 116.67 114.65 2pnr s ASP 280 Ca 0.00 -0.36 -0.06 0.00 0.18 0.00 0.00 52.55 52.32 2pnr s ASP 280 Cb 0.00 -0.58 0.02 0.00 1.07 0.00 0.00 42.92 43.43 2pnr s ASP 280 CO 0.00 0.16 0.06 -0.22 1.18 0.00 0.00 175.17 176.35 2pnr s LEU 281 N -0.00 3.81 -0.07 1.23 0.20 0.36 -0.78 118.68 123.42 2pnr s LEU 281 Ca -0.03 -0.79 0.02 0.00 0.69 0.00 0.00 54.13 54.02 2pnr s LEU 281 Cb -0.11 -1.84 -0.02 0.00 -0.43 0.00 0.00 46.19 43.78 2pnr s LEU 281 CO 0.02 -0.20 -0.13 -0.44 -0.29 0.00 0.00 176.35 175.31 2pnr s SER 282 N 1.46 4.12 -0.12 3.68 0.01 0.65 -0.54 113.70 122.96 2pnr s SER 282 Ca 0.02 -0.20 -0.00 0.00 1.31 0.00 0.00 55.95 57.07 2pnr s SER 282 Cb -0.17 -1.08 0.02 0.00 0.21 0.00 0.00 66.02 65.00 2pnr s SER 282 CO 0.01 0.30 -0.10 -0.63 0.41 0.00 0.00 173.24 173.24 2pnr s ILE 283 N -0.47 1.19 -0.14 1.44 1.01 0.05 -0.31 121.20 123.98 2pnr s ILE 283 Ca 0.06 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2pnr s ILE 283 Cb -0.12 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.20 2pnr s ILE 283 CO 0.02 0.39 -0.18 -0.75 0.00 0.00 0.00 174.94 174.42 2pnr s LYS 284 N 1.57 2.62 -0.20 2.79 2.20 0.13 -0.55 119.74 128.30 2pnr s LYS 284 Ca 0.03 -0.70 -0.08 0.00 -0.36 0.00 0.00 55.97 54.87 2pnr s LYS 284 Cb -0.13 -2.21 -0.04 0.00 -1.51 0.00 0.00 37.83 33.94 2pnr s LYS 284 CO -0.08 -0.09 0.07 0.42 -0.36 0.00 0.00 175.35 175.31 2pnr s ILE 285 N 1.04 4.70 -0.05 5.43 1.01 0.61 0.30 121.20 134.26 2pnr s ILE 285 Ca -0.03 -0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.60 2pnr s ILE 285 Cb -0.15 -3.14 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 2pnr s ILE 285 CO -0.05 0.42 -0.19 -0.44 0.00 0.00 0.00 174.94 174.69 2pnr s SER 286 N 0.71 2.33 0.20 3.58 0.01 0.58 -0.55 113.70 120.55 2pnr s SER 286 Ca 0.04 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 56.93 2pnr s SER 286 Cb -0.13 -0.66 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 2pnr s SER 286 CO 0.02 0.17 0.04 1.51 0.41 0.00 0.00 173.24 175.39 2pnr s ASP 287 N 0.01 1.12 -0.59 2.44 1.47 -1.06 -1.69 116.67 118.38 2pnr s ASP 287 Ca -0.04 -1.25 0.04 0.00 1.18 0.00 0.00 52.55 52.48 2pnr s ASP 287 Cb -0.12 0.15 0.37 0.00 -0.34 0.00 0.00 42.92 42.98 2pnr s ASP 287 CO 0.03 -0.64 1.18 0.18 0.68 0.00 0.00 175.17 176.59 2pnr n LEU 288 N -0.31 5.08 -0.24 2.11 4.77 -1.26 -2.15 117.00 124.99 2pnr n LEU 288 Ca -0.04 -5.41 0.06 0.00 -0.03 0.00 0.00 56.01 50.59 2pnr n LEU 288 Cb 0.64 -0.62 0.27 0.00 -2.33 0.00 0.00 43.42 41.39 2pnr n LEU 288 CO 0.35 2.24 0.69 0.61 -1.33 0.00 0.00 177.39 179.94 2pnr n GLY 289 N -0.35 -0.40 0.22 -0.72 0.00 -1.24 -4.75 105.19 97.95 2pnr n GLY 289 Ca 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2pnr n GLY 289 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnr n GLY 290 N 0.83 0.40 0.58 -0.02 0.00 -0.44 -4.70 105.19 101.84 2pnr n GLY 290 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 2pnr n GLY 290 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnr n GLY 291 N -2.00 -1.92 3.01 -0.02 0.00 -1.25 0.59 105.19 103.61 2pnr n GLY 291 Ca 0.00 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 2pnr n GLY 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pnr s VAL 292 N -2.06 -0.03 0.30 1.61 1.01 -1.26 -4.54 120.40 115.43 2pnr s VAL 292 Ca 0.00 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 61.81 2pnr s VAL 292 Cb 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 36.38 35.95 2pnr s VAL 292 CO 0.00 0.04 1.08 -0.81 0.00 0.00 0.00 175.10 175.41 2pnr n PRO 293 N 3.81 1.53 -0.23 2.72 -0.04 -1.26 -4.26 135.00 137.27 2pnr n PRO 293 Ca -0.22 0.54 0.22 0.00 -0.04 0.00 0.00 63.50 64.00 2pnr n PRO 293 Cb 0.54 -1.96 0.56 0.00 -0.04 0.00 0.00 33.50 32.61 2pnr n PRO 293 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2pnr h LEU 294 N 2.15 0.31 -1.50 1.53 5.85 -2.01 -1.89 115.31 119.76 2pnr h LEU 294 Ca -0.41 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.39 2pnr h LEU 294 Cb 1.33 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 2pnr h LEU 294 CO 0.61 0.12 0.39 -0.09 -0.34 0.00 0.00 178.44 179.12 2pnr h ARG 295 N 0.30 0.62 0.00 1.25 2.43 -2.03 -2.87 114.38 114.08 2pnr h ARG 295 Ca 0.47 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 2pnr h ARG 295 Cb 1.32 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2pnr h ARG 295 CO -0.14 0.41 -1.19 1.63 -1.51 0.00 0.00 179.97 179.17 2pnr n LYS 296 N -4.47 0.20 -0.05 0.20 5.02 -0.72 -4.29 118.16 114.05 2pnr n LYS 296 Ca 0.07 -0.04 -0.04 0.00 -2.02 0.00 0.00 58.31 56.28 2pnr n LYS 296 Cb 0.17 -1.53 0.19 0.00 -0.02 0.00 0.00 35.03 33.85 2pnr n LYS 296 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2pnr h ILE 297 N 0.00 1.24 -0.28 -0.18 6.09 -1.38 -2.73 117.51 120.27 2pnr h ILE 297 Ca 0.00 -1.06 -0.11 0.00 -1.37 0.00 0.00 64.86 62.31 2pnr h ILE 297 Cb 0.66 1.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.99 2pnr h ILE 297 CO 0.00 0.36 -0.30 0.44 -3.07 0.00 0.00 178.15 175.58 2pnr h ASP 298 N 0.60 0.59 0.16 2.19 3.32 -1.75 -2.68 116.42 118.86 2pnr h ASP 298 Ca 0.11 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 2pnr h ASP 298 Cb 0.52 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2pnr h ASP 298 CO 0.03 0.86 -0.24 0.03 -1.72 0.00 0.00 179.24 178.20 2pnr h ARG 299 N 0.50 0.15 -0.30 3.56 3.08 -1.70 -3.24 114.38 116.42 2pnr h ARG 299 Ca 0.06 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.15 2pnr h ARG 299 Cb 0.77 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 2pnr h ARG 299 CO 0.06 0.39 0.59 -0.07 -1.07 0.00 0.00 179.97 179.88 2pnr h LEU 300 N 0.14 0.00 -3.17 3.04 3.38 -1.29 0.19 115.31 117.61 2pnr h LEU 300 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2pnr h LEU 300 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2pnr h LEU 300 CO 0.04 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.06 2pnr n PHE 301 N -3.19 1.24 -4.06 1.13 3.72 -1.22 -4.35 117.46 110.73 2pnr n PHE 301 Ca 0.05 -0.67 -0.33 0.00 -0.05 0.00 0.00 57.45 56.46 2pnr n PHE 301 Cb 0.72 -0.25 -0.06 0.00 -0.94 0.00 0.00 39.48 38.94 2pnr n PHE 301 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2pnr s ASN 302 N -1.16 5.82 -0.98 4.37 0.01 0.66 -4.65 114.94 119.01 2pnr s ASN 302 Ca 0.45 0.18 -0.22 0.00 -0.71 0.00 0.00 52.86 52.55 2pnr s ASN 302 Cb 0.30 -1.70 0.07 0.00 0.41 0.00 0.00 41.25 40.33 2pnr s ASN 302 CO 0.19 0.26 1.35 -0.31 -1.51 0.00 0.00 177.10 177.08 2pnr s TYR 303 N -1.23 2.67 -0.02 2.20 2.02 -1.26 -4.97 117.35 116.75 2pnr s TYR 303 Ca 0.24 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 2pnr s TYR 303 Cb -0.12 -4.59 0.03 0.00 -0.40 0.00 0.00 41.96 36.88 2pnr s TYR 303 CO 0.15 -1.83 1.13 0.00 -1.57 0.00 0.00 175.55 173.44 2pnr n ALA 318 N 8.31 2.78 -3.53 3.71 0.00 -1.26 -5.14 120.51 125.38 2pnr n ALA 318 Ca 0.29 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.46 2pnr n ALA 318 Cb 0.50 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 2pnr n ALA 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pnr s ALA 319 N -0.16 -1.49 0.00 0.00 0.00 -1.26 -5.19 121.76 113.66 2pnr s ALA 319 Ca 0.03 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.74 2pnr s ALA 319 Cb 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.12 2pnr s ALA 319 CO 0.00 -0.29 0.00 -0.35 0.00 0.00 0.00 175.76 175.12 2pnr n PRO 320 N 3.04 0.00 0.00 0.00 -0.04 -1.26 -5.11 135.00 131.64 2pnr n PRO 320 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2pnr n PRO 320 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2pnr n PRO 320 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pnr n LEU 321 N 0.00 0.00 -3.15 1.53 4.32 -1.26 -5.05 117.00 113.39 2pnr n LEU 321 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.04 2pnr n LEU 321 Cb 0.00 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2pnr n LEU 321 CO 0.00 0.00 0.33 0.00 -1.22 0.00 0.00 177.39 176.50 2pnr s ALA 322 N -2.47 -3.28 -0.99 -1.18 0.00 -1.26 -5.01 121.76 107.57 2pnr s ALA 322 Ca 0.00 1.24 -0.02 0.00 0.00 0.00 0.00 51.96 53.19 2pnr s ALA 322 Cb 0.00 -2.68 0.30 0.00 0.00 0.00 0.00 23.12 20.73 2pnr s ALA 322 CO 0.00 -1.95 1.35 0.41 0.00 0.00 0.00 175.76 175.58 2pnr n GLY 323 N 5.26 5.16 0.09 0.00 0.00 -1.26 -4.83 105.19 109.60 2pnr n GLY 323 Ca 0.07 -2.69 -0.11 0.00 0.00 0.00 0.00 46.02 43.29 2pnr n GLY 323 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pnr n PHE 324 N 1.14 0.66 0.00 1.61 3.01 -1.26 -5.03 117.46 117.59 2pnr n PHE 324 Ca 0.28 0.29 0.00 0.00 1.01 0.00 0.00 57.45 59.02 2pnr n PHE 324 Cb 0.34 -0.78 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 2pnr n PHE 324 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pnr n GLY 325 N 1.52 -2.88 0.02 1.37 0.00 -1.26 -4.95 105.19 99.01 2pnr n GLY 325 Ca -0.17 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 44.97 2pnr n GLY 325 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pnr n TYR 326 N 0.00 0.14 0.00 1.61 4.01 -1.26 -5.10 117.16 116.56 2pnr n TYR 326 Ca 0.00 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2pnr n TYR 326 Cb 0.00 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 2pnr n TYR 326 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pnr n GLY 327 N 1.33 1.92 0.34 2.72 0.00 -1.26 -4.43 105.19 105.81 2pnr n GLY 327 Ca -0.01 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.17 2pnr n GLY 327 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pnr h LEU 328 N 0.00 1.06 0.45 0.99 3.38 -1.98 -1.96 115.31 117.25 2pnr h LEU 328 Ca 0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2pnr h LEU 328 Cb 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2pnr h LEU 328 CO 0.00 0.92 -0.32 -0.65 0.09 0.00 0.00 178.44 178.48 2pnr h PRO 329 N 1.14 -0.71 -0.65 1.13 0.11 -1.83 -1.97 132.00 129.23 2pnr h PRO 329 Ca 0.27 0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.50 2pnr h PRO 329 Cb 0.17 0.16 -0.06 0.00 0.11 0.00 0.00 31.00 31.38 2pnr h PRO 329 CO -0.03 -0.47 0.32 0.82 -0.21 0.00 0.00 178.00 178.43 2pnr h ILE 330 N -0.74 0.89 -0.95 4.15 1.08 -1.77 0.99 117.51 121.16 2pnr h ILE 330 Ca -0.06 -0.20 0.24 0.00 -0.39 0.00 0.00 64.86 64.45 2pnr h ILE 330 Cb 0.60 0.26 -0.07 0.00 -3.07 0.00 0.00 36.82 34.55 2pnr h ILE 330 CO 0.03 0.11 0.64 0.28 -0.69 0.00 0.00 178.15 178.52 2pnr h SER 331 N 0.58 0.32 0.84 1.72 0.02 -1.28 0.13 113.55 115.88 2pnr h SER 331 Ca 0.31 0.04 -0.24 0.00 -0.84 0.00 0.00 61.79 61.06 2pnr h SER 331 Cb 0.27 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2pnr h SER 331 CO -0.23 0.10 -1.12 -0.09 -1.14 0.00 0.00 176.83 174.35 2pnr h ARG 332 N 0.30 0.10 -0.12 3.45 2.43 -0.05 -3.22 114.38 117.28 2pnr h ARG 332 Ca 0.50 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 59.41 2pnr h ARG 332 Cb 1.42 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.03 2pnr h ARG 332 CO -0.17 1.07 -0.29 -0.07 -1.51 0.00 0.00 179.97 179.00 2pnr h LEU 333 N 0.03 0.22 -0.66 3.80 3.38 0.31 -2.25 115.31 120.14 2pnr h LEU 333 Ca -0.07 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2pnr h LEU 333 Cb 1.86 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.52 2pnr h LEU 333 CO 0.16 0.51 0.19 1.88 0.09 0.00 0.00 178.44 181.27 2pnr h TYR 334 N 0.20 1.07 0.20 1.13 0.05 -1.38 -1.12 116.97 117.11 2pnr h TYR 334 Ca 0.03 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 2pnr h TYR 334 Cb 0.62 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.05 2pnr h TYR 334 CO 0.01 0.88 -0.09 0.00 -1.05 0.00 0.00 178.16 177.90 2pnr h ALA 335 N 1.07 -0.26 0.00 3.88 0.00 -1.50 -2.96 119.26 119.50 2pnr h ALA 335 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pnr h ALA 335 Cb 0.32 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2pnr h ALA 335 CO -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 179.25 178.73 2pnr h ARG 336 N -0.58 0.00 -0.71 0.00 3.08 -1.16 -0.98 114.38 114.04 2pnr h ARG 336 Ca -0.03 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.12 2pnr h ARG 336 Cb 0.43 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.41 2pnr h ARG 336 CO 0.04 0.02 0.35 -0.92 -1.07 0.00 0.00 179.97 178.40 2pnr h TYR 337 N 0.00 0.63 -1.07 3.04 3.20 -1.02 -1.98 116.97 119.78 2pnr h TYR 337 Ca -0.00 0.03 -0.64 0.00 3.14 0.00 0.00 58.73 61.26 2pnr h TYR 337 Cb 0.22 -0.18 -0.35 0.00 1.54 0.00 0.00 36.73 37.97 2pnr h TYR 337 CO 0.00 0.22 0.18 1.19 -1.64 0.00 0.00 178.16 178.12 2pnr n PHE 338 N -4.87 3.06 -2.37 -3.82 3.72 -1.17 -0.03 117.46 111.98 2pnr n PHE 338 Ca 0.11 -2.69 -0.13 0.00 -0.05 0.00 0.00 57.45 54.70 2pnr n PHE 338 Cb 0.28 -0.93 0.00 0.00 -0.94 0.00 0.00 39.48 37.89 2pnr n PHE 338 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2pnr n GLN 339 N -0.77 -1.53 -1.60 -1.08 1.13 -0.74 -4.41 117.38 108.38 2pnr n GLN 339 Ca 0.53 0.59 0.00 0.00 -1.94 0.00 0.00 57.00 56.19 2pnr n GLN 339 Cb 0.72 -4.76 0.00 0.00 0.11 0.00 0.00 30.24 26.31 2pnr n GLN 339 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pnr n GLY 340 N -1.07 4.27 3.75 1.08 0.00 -0.38 -4.58 105.19 108.27 2pnr n GLY 340 Ca -0.13 -2.18 -0.08 0.00 0.00 0.00 0.00 46.02 43.63 2pnr n GLY 340 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pnr s ASP 341 N -0.77 -0.10 -0.06 1.61 2.15 0.19 -2.60 116.67 117.08 2pnr s ASP 341 Ca 0.00 -0.84 0.00 0.00 0.43 0.00 0.00 52.55 52.14 2pnr s ASP 341 Cb 0.00 0.71 0.02 0.00 -0.30 0.00 0.00 42.92 43.35 2pnr s ASP 341 CO 0.00 -1.35 -0.05 -0.22 -0.17 0.00 0.00 175.17 173.39 2pnr s LEU 342 N -2.99 1.19 0.05 -1.34 0.20 -1.26 0.05 118.68 114.58 2pnr s LEU 342 Ca 0.16 -0.16 0.02 0.00 0.69 0.00 0.00 54.13 54.85 2pnr s LEU 342 Cb -0.04 -0.54 -0.03 0.00 -0.43 0.00 0.00 46.19 45.15 2pnr s LEU 342 CO 0.09 -0.08 -0.08 -0.54 -0.29 0.00 0.00 176.35 175.45 2pnr s LYS 343 N 1.21 0.58 -0.07 1.98 1.02 -0.62 -5.00 119.74 118.84 2pnr s LYS 343 Ca -0.06 -0.82 0.05 0.00 0.02 0.00 0.00 55.97 55.16 2pnr s LYS 343 Cb -0.14 -0.34 -0.00 0.00 -0.52 0.00 0.00 37.83 36.83 2pnr s LYS 343 CO -0.02 0.06 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.75 2pnr s LEU 344 N -1.70 1.99 -0.09 3.17 1.43 -1.26 -1.17 118.68 121.06 2pnr s LEU 344 Ca -0.08 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2pnr s LEU 344 Cb -0.09 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.92 2pnr s LEU 344 CO 0.00 0.18 -0.08 -0.31 0.23 0.00 0.00 176.35 176.37 2pnr s TYR 345 N 0.09 1.33 0.17 0.29 1.51 0.24 -5.01 117.35 115.97 2pnr s TYR 345 Ca -0.09 -0.57 0.08 0.00 -1.01 0.00 0.00 57.07 55.49 2pnr s TYR 345 Cb -0.14 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 2pnr s TYR 345 CO 0.05 -0.38 -0.17 0.45 -1.11 0.00 0.00 175.55 174.38 2pnr s SER 346 N 1.28 2.61 -0.40 2.29 0.15 -1.26 0.47 113.70 118.84 2pnr s SER 346 Ca -0.04 -0.88 0.04 0.00 0.70 0.00 0.00 55.95 55.77 2pnr s SER 346 Cb -0.14 -0.15 0.11 0.00 -1.71 0.00 0.00 66.02 64.13 2pnr s SER 346 CO -0.03 -0.06 0.12 -0.04 1.20 0.00 0.00 173.24 174.43 2pnr s MET 347 N -2.88 1.66 0.00 5.44 -1.94 -0.50 -4.88 119.30 116.20 2pnr s MET 347 Ca 0.16 -2.09 -0.34 0.00 -1.71 0.00 0.00 55.69 51.70 2pnr s MET 347 Cb -0.05 -3.27 -0.13 0.00 2.01 0.00 0.00 34.83 33.39 2pnr s MET 347 CO 0.06 -1.00 1.73 -1.91 -0.01 0.00 0.00 175.02 173.90 2pnr n GLU 348 N 3.94 2.06 0.00 2.03 2.13 -1.26 -1.51 120.64 128.03 2pnr n GLU 348 Ca 0.04 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.61 2pnr n GLU 348 Cb 0.39 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.55 2pnr n GLU 348 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pnr n GLY 349 N 3.93 1.33 1.57 8.31 0.00 0.20 -4.91 105.19 115.62 2pnr n GLY 349 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2pnr n GLY 349 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pnr n VAL 350 N -1.06 0.49 -3.32 1.61 0.31 -0.57 -4.79 118.33 111.00 2pnr n VAL 350 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 2pnr n VAL 350 Cb 0.00 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 2pnr n VAL 350 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pnr n GLY 351 N 2.37 1.09 2.93 2.92 0.00 -1.08 -1.33 105.19 112.08 2pnr n GLY 351 Ca 0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 2pnr n GLY 351 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pnr s THR 352 N -2.31 -0.02 -0.20 2.61 2.01 -0.92 -1.40 115.64 115.40 2pnr s THR 352 Ca 0.00 0.08 -0.08 0.00 0.31 0.00 0.00 61.69 62.00 2pnr s THR 352 Cb 0.00 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.31 2pnr s THR 352 CO 0.00 0.03 0.07 -1.81 -0.69 0.00 0.00 174.62 172.22 2pnr s ASP 353 N 0.49 5.58 -0.16 3.53 1.01 0.18 -2.55 116.67 124.74 2pnr s ASP 353 Ca -0.04 0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.23 2pnr s ASP 353 Cb -0.05 -1.97 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 2pnr s ASP 353 CO -0.02 0.12 -0.09 0.00 0.21 0.00 0.00 175.17 175.40 2pnr s ALA 354 N 0.69 2.76 -0.11 5.23 0.00 0.29 -0.59 121.76 130.03 2pnr s ALA 354 Ca 0.04 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 2pnr s ALA 354 Cb -0.13 -1.41 0.03 0.00 0.00 0.00 0.00 23.12 21.61 2pnr s ALA 354 CO 0.02 0.10 -0.06 0.08 0.00 0.00 0.00 175.76 175.89 2pnr s VAL 355 N 0.59 0.90 -0.20 0.00 1.01 -0.31 -0.28 120.40 122.10 2pnr s VAL 355 Ca -0.05 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 2pnr s VAL 355 Cb -0.15 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 2pnr s VAL 355 CO 0.03 0.33 0.20 -0.63 0.00 0.00 0.00 175.10 175.03 2pnr s ILE 356 N 1.76 5.35 -0.20 2.22 1.01 0.29 -1.59 121.20 130.04 2pnr s ILE 356 Ca 0.05 0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.98 2pnr s ILE 356 Cb -0.13 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 2pnr s ILE 356 CO -0.08 0.38 -0.05 -0.31 0.00 0.00 0.00 174.94 174.89 2pnr s TYR 357 N 0.67 2.96 0.01 3.97 2.02 0.11 -0.77 117.35 126.31 2pnr s TYR 357 Ca 0.11 -0.73 0.05 0.00 -0.37 0.00 0.00 57.07 56.13 2pnr s TYR 357 Cb -0.12 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.38 2pnr s TYR 357 CO 0.02 -0.38 -0.16 -0.51 -1.57 0.00 0.00 175.55 172.95 2pnr s LEU 358 N 1.09 2.08 0.24 -1.29 1.43 0.30 -0.64 118.68 121.89 2pnr s LEU 358 Ca 0.01 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 2pnr s LEU 358 Cb -0.15 -0.80 -0.10 0.00 0.03 0.00 0.00 46.19 45.18 2pnr s LEU 358 CO -0.00 0.16 1.48 -0.54 0.23 0.00 0.00 176.35 177.67 2pnr s LYS 359 N -0.66 4.24 0.15 1.70 -0.14 -1.26 0.14 119.74 123.90 2pnr s LYS 359 Ca 0.05 2.35 -0.12 0.00 -1.36 0.00 0.00 55.97 56.89 2pnr s LYS 359 Cb -0.07 -3.10 0.01 0.00 -1.68 0.00 0.00 37.83 32.99 2pnr s LYS 359 CO 0.00 -0.48 1.58 0.00 -0.76 0.00 0.00 175.35 175.70 2pnr h ALA 360 N 5.26 0.66 -3.00 5.17 0.00 -1.64 -3.42 119.26 122.28 2pnr h ALA 360 Ca -0.46 -0.31 -0.59 0.00 0.00 0.00 0.00 54.91 53.56 2pnr h ALA 360 Cb 1.22 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 2pnr h ALA 360 CO 0.80 0.50 -0.27 -0.51 0.00 0.00 0.00 179.25 179.77 2pnr s LEU 361 N -9.32 4.28 0.00 0.00 1.43 -1.26 -4.80 118.68 109.01 2pnr s LEU 361 Ca -0.12 0.62 0.21 0.00 -1.03 0.00 0.00 54.13 53.81 2pnr s LEU 361 Cb 0.12 -2.46 0.90 0.00 0.03 0.00 0.00 46.19 44.78 2pnr s LEU 361 CO 0.83 0.11 1.67 -1.54 0.23 0.00 0.00 176.35 177.64 2pnr n SER 362 N 3.38 0.00 0.03 2.29 3.41 -1.26 -2.30 113.62 119.16 2pnr n SER 362 Ca -0.11 0.46 0.14 0.00 -0.26 0.00 0.00 58.87 59.09 2pnr n SER 362 Cb 0.52 -0.48 0.52 0.00 -0.26 0.00 0.00 64.21 64.51 2pnr n SER 362 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2pnr n SER 363 N -1.48 0.26 -0.41 4.04 3.41 -1.26 -1.80 113.62 116.37 2pnr n SER 363 Ca 0.05 0.45 0.05 0.00 -0.26 0.00 0.00 58.87 59.17 2pnr n SER 363 Cb 0.24 -0.49 0.04 0.00 -0.26 0.00 0.00 64.21 63.74 2pnr n SER 363 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pnr n GLU 364 N -1.71 0.48 -2.47 4.33 1.02 -0.97 -4.83 120.64 116.50 2pnr n GLU 364 Ca 0.06 -1.11 -0.42 0.00 -0.02 0.00 0.00 57.16 55.67 2pnr n GLU 364 Cb 0.36 -1.20 0.01 0.00 -0.02 0.00 0.00 31.44 30.59 2pnr n GLU 364 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2pnr n SER 365 N 0.57 6.42 -4.79 1.62 7.64 -1.14 -4.86 113.62 119.08 2pnr n SER 365 Ca 0.06 -3.28 -0.37 0.00 1.01 0.00 0.00 58.87 56.30 2pnr n SER 365 Cb 0.26 -1.36 -0.06 0.00 -1.01 0.00 0.00 64.21 62.04 2pnr n SER 365 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2pnr s PHE 366 N -1.43 3.67 0.49 1.43 0.08 -1.26 -1.24 117.98 119.71 2pnr s PHE 366 Ca 0.40 1.69 -0.24 0.00 0.12 0.00 0.00 56.93 58.91 2pnr s PHE 366 Cb 0.12 -2.85 -0.07 0.00 -0.57 0.00 0.00 43.02 39.64 2pnr s PHE 366 CO -0.01 0.23 1.32 0.39 -0.10 0.00 0.00 175.22 177.05 2pnr n GLU 367 N 0.55 1.85 -3.65 0.44 1.02 -0.91 -3.76 120.64 116.18 2pnr n GLU 367 Ca 0.01 0.67 -0.39 0.00 -0.02 0.00 0.00 57.16 57.43 2pnr n GLU 367 Cb 0.50 -2.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.33 2pnr n GLU 367 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2pnr s ARG 368 N -2.56 2.36 -0.06 3.49 3.52 0.95 -4.78 118.95 121.88 2pnr s ARG 368 Ca 0.66 -1.92 -0.01 0.00 -0.13 0.00 0.00 55.73 54.33 2pnr s ARG 368 Cb -0.45 -3.80 -0.04 0.00 -1.56 0.00 0.00 34.95 29.10 2pnr s ARG 368 CO 0.54 -1.15 0.03 -0.51 -0.81 0.00 0.00 175.30 173.40 2pnr s LEU 369 N 1.05 3.71 -0.10 -0.88 1.43 -1.26 -4.86 118.68 117.77 2pnr s LEU 369 Ca 0.09 0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 53.05 2pnr s LEU 369 Cb -0.24 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 2pnr s LEU 369 CO -0.03 0.34 0.98 -2.16 0.23 0.00 0.00 176.35 175.71 2pnr s PRO 370 N -1.19 4.43 -0.12 1.29 0.04 -1.26 -5.03 135.00 133.15 2pnr s PRO 370 Ca 0.17 1.35 -0.06 0.00 0.04 0.00 0.00 61.00 62.49 2pnr s PRO 370 Cb -0.12 -3.53 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 2pnr s PRO 370 CO 0.06 -0.27 0.09 0.08 0.04 0.00 0.00 177.00 177.00 2pnr s VAL 371 N 1.86 5.10 -0.85 -0.36 1.01 -1.26 -4.90 120.40 121.01 2pnr s VAL 371 Ca 0.48 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 62.33 2pnr s VAL 371 Cb -0.18 -3.22 0.14 0.00 0.00 0.00 0.00 36.38 33.12 2pnr s VAL 371 CO 0.19 0.59 0.98 0.12 0.00 0.00 0.00 175.10 176.98 2pnr s PHE 372 N -0.78 3.23 0.43 5.22 5.36 -1.26 -4.68 117.98 125.50 2pnr s PHE 372 Ca 0.13 -1.43 0.03 0.00 -0.96 0.00 0.00 56.93 54.70 2pnr s PHE 372 Cb -0.12 -4.14 -0.03 0.00 -0.34 0.00 0.00 43.02 38.39 2pnr s PHE 372 CO 0.03 -1.36 0.07 0.54 -1.46 0.00 0.00 175.22 173.04 2pnr s ASN 373 N 3.29 3.28 0.57 6.13 2.20 -1.26 -4.77 114.94 124.39 2pnr s ASN 373 Ca 0.26 -1.61 0.26 0.00 -0.94 0.00 0.00 52.86 50.83 2pnr s ASN 373 Cb -0.09 0.36 1.65 0.00 -2.00 0.00 0.00 41.25 41.17 2pnr s ASN 373 CO -0.06 -0.82 2.22 0.11 -2.94 0.00 0.00 177.10 175.60 2pnr h LYS 374 N 1.68 0.00 -0.70 3.55 1.79 -1.98 -0.42 116.57 120.49 2pnr h LYS 374 Ca -0.40 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.08 2pnr h LYS 374 Cb 1.28 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.90 2pnr h LYS 374 CO 0.66 0.00 0.46 1.03 -1.08 0.00 0.00 179.45 180.53 2pnr h SER 375 N 0.00 0.79 -0.49 0.86 0.87 -1.95 -1.26 113.55 112.37 2pnr h SER 375 Ca -0.00 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.45 2pnr h SER 375 Cb 0.01 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 2pnr h SER 375 CO 0.00 0.57 -0.03 0.00 -0.53 0.00 0.00 176.83 176.84 2pnr h ALA 376 N 1.26 0.93 -0.87 6.23 0.00 -1.39 -2.80 119.26 122.62 2pnr h ALA 376 Ca 0.26 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2pnr h ALA 376 Cb -0.09 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.43 2pnr h ALA 376 CO -0.06 0.63 0.56 2.35 0.00 0.00 0.00 179.25 182.73 2pnr h TRP 377 N 0.86 0.94 -0.39 0.00 7.01 -0.54 -2.19 115.95 121.63 2pnr h TRP 377 Ca 0.15 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.24 2pnr h TRP 377 Cb 0.55 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 2pnr h TRP 377 CO 0.03 0.45 0.27 0.00 -2.79 0.00 0.00 178.44 176.40 2pnr h ARG 378 N 0.89 0.25 -0.15 2.65 3.08 -0.97 -2.75 114.38 117.37 2pnr h ARG 378 Ca 0.39 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 60.26 2pnr h ARG 378 Cb 0.35 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2pnr h ARG 378 CO -0.16 0.17 -0.62 0.45 -1.07 0.00 0.00 179.97 178.74 2pnr h HIS 379 N 0.26 0.69 -0.00 3.04 3.86 -1.52 -3.00 115.15 118.48 2pnr h HIS 379 Ca 0.17 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2pnr h HIS 379 Cb 0.36 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.71 2pnr h HIS 379 CO -0.00 1.01 -0.13 0.66 0.86 0.00 0.00 177.93 180.33 2pnr n TYR 380 N -3.92 0.00 -2.52 2.45 4.02 -1.05 -3.99 117.16 112.14 2pnr n TYR 380 Ca -0.04 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.60 2pnr n TYR 380 Cb 0.64 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 2pnr n TYR 380 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2pnr n LYS 381 N -1.02 3.20 -4.92 -0.72 4.76 -1.11 -4.95 118.16 113.40 2pnr n LYS 381 Ca 0.13 -4.40 -0.28 0.00 -2.87 0.00 0.00 58.31 50.89 2pnr n LYS 381 Cb 0.29 -2.16 -0.17 0.00 -1.84 0.00 0.00 35.03 31.16 2pnr n LYS 381 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2pnr s THR 382 N -5.26 1.60 0.32 -0.18 -4.23 -1.24 -4.94 115.64 101.71 2pnr s THR 382 Ca 0.46 -0.77 -0.13 0.00 -1.18 0.00 0.00 61.69 60.08 2pnr s THR 382 Cb 0.40 -1.39 -0.08 0.00 1.34 0.00 0.00 72.50 72.77 2pnr s THR 382 CO -0.17 0.46 0.70 0.28 -0.54 0.00 0.00 174.62 175.35 2pnr s THR 383 N 0.33 4.76 0.86 3.99 -1.32 -1.26 -5.03 115.64 117.97 2pnr s THR 383 Ca -0.12 0.76 -0.14 0.00 -1.21 0.00 0.00 61.69 60.97 2pnr s THR 383 Cb -0.15 -3.64 0.01 0.00 -1.51 0.00 0.00 72.50 67.21 2pnr s THR 383 CO 0.05 -0.25 0.50 -2.65 -2.21 0.00 0.00 174.62 170.06 2pnr n PRO 384 N -0.56 -0.05 -4.17 7.08 -0.02 -1.26 -5.01 135.00 131.00 2pnr n PRO 384 Ca 0.03 0.03 -0.11 0.00 -2.02 0.00 0.00 63.50 61.43 2pnr n PRO 384 Cb 0.53 -1.89 -0.10 0.00 -0.02 0.00 0.00 33.50 32.03 2pnr n PRO 384 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2pnr s GLU 385 N -3.37 0.99 0.57 -0.52 2.02 -1.26 -5.15 118.70 111.99 2pnr s GLU 385 Ca 0.61 -1.48 -0.16 0.00 0.02 0.00 0.00 54.97 53.95 2pnr s GLU 385 Cb -0.26 0.16 -0.05 0.00 0.10 0.00 0.00 34.13 34.08 2pnr s GLU 385 CO 0.63 -0.26 1.04 0.00 0.02 0.00 0.00 175.26 176.70 2pnr s ALA 386 N -4.00 2.81 0.48 5.21 0.00 -1.26 -4.99 121.76 120.00 2pnr s ALA 386 Ca 0.26 0.37 -0.21 0.00 0.00 0.00 0.00 51.96 52.38 2pnr s ALA 386 Cb 0.07 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.90 2pnr s ALA 386 CO 0.03 -0.67 1.08 0.34 0.00 0.00 0.00 175.76 176.55 2pnr s ASP 387 N -2.77 6.24 0.34 0.00 -1.08 -1.26 -4.92 116.67 113.22 2pnr s ASP 387 Ca 0.63 2.08 0.15 0.00 -0.52 0.00 0.00 52.55 54.89 2pnr s ASP 387 Cb -0.15 -2.58 0.60 0.00 -1.46 0.00 0.00 42.92 39.33 2pnr s ASP 387 CO 0.34 -0.86 1.72 -0.78 0.52 0.00 0.00 175.17 176.11 2pnr h ASP 388 N 1.73 0.00 -2.50 -0.34 1.82 -2.08 -3.46 116.42 111.59 2pnr h ASP 388 Ca -0.49 0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 55.60 2pnr h ASP 388 Cb 1.23 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 41.11 2pnr h ASP 388 CO 0.59 0.45 -0.58 0.26 -1.61 0.00 0.00 179.24 178.35 2pnr s TRP 389 N -3.71 2.09 0.71 0.28 0.52 -1.26 -5.14 118.94 112.42 2pnr s TRP 389 Ca -0.01 -0.92 -0.14 0.00 0.02 0.00 0.00 56.10 55.05 2pnr s TRP 389 Cb 0.12 -1.44 0.03 0.00 -1.15 0.00 0.00 33.47 31.03 2pnr s TRP 389 CO 0.71 0.11 1.12 -1.54 0.02 0.00 0.00 176.95 177.38 2pnr s SER 390 N -3.60 4.74 -0.08 2.95 1.04 -1.26 -5.07 113.70 112.42 2pnr s SER 390 Ca 0.31 2.02 -0.03 0.00 0.48 0.00 0.00 55.95 58.73 2pnr s SER 390 Cb 0.08 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.69 2pnr s SER 390 CO 0.15 -1.88 0.14 0.20 0.98 0.00 0.00 173.24 172.82 2pnr s ASN 391 N -2.68 0.85 0.69 7.02 0.01 -1.26 -5.13 114.94 114.44 2pnr s ASN 391 Ca 0.67 0.27 -0.17 0.00 -0.71 0.00 0.00 52.86 52.92 2pnr s ASN 391 Cb -0.21 0.18 -0.01 0.00 0.41 0.00 0.00 41.25 41.62 2pnr s ASN 391 CO 0.46 -0.25 0.98 -2.65 -1.51 0.00 0.00 177.10 174.14 2pnr n PRO 392 N 5.32 0.65 -1.35 -0.60 -0.02 -1.26 -5.01 135.00 132.72 2pnr n PRO 392 Ca -0.04 0.27 -0.31 0.00 -2.02 0.00 0.00 63.50 61.40 2pnr n PRO 392 Cb 0.50 -2.23 0.08 0.00 -0.02 0.00 0.00 33.50 31.83 2pnr n PRO 392 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2pnr s SER 393 N -1.52 4.74 0.27 2.55 0.15 -1.26 -4.93 113.70 113.70 2pnr s SER 393 Ca 0.75 1.78 0.23 0.00 0.70 0.00 0.00 55.95 59.40 2pnr s SER 393 Cb -0.37 -2.52 0.16 0.00 -1.71 0.00 0.00 66.02 61.59 2pnr s SER 393 CO 0.48 -1.88 1.27 0.77 1.20 0.00 0.00 173.24 175.08 2pnr h SER 394 N -1.00 0.00 -2.40 5.45 4.64 -2.07 -3.37 113.55 114.81 2pnr h SER 394 Ca -0.44 -0.02 -0.59 0.00 -0.47 0.00 0.00 61.79 60.28 2pnr h SER 394 Cb 1.23 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.93 2pnr h SER 394 CO 0.53 0.01 -0.95 -0.62 -0.87 0.00 0.00 176.83 174.93 2pnr n GLU 395 N -2.76 0.43 -2.00 4.77 1.02 -1.26 -5.14 120.64 115.70 2pnr n GLU 395 Ca 0.02 -3.33 -0.37 0.00 -0.02 0.00 0.00 57.16 53.46 2pnr n GLU 395 Cb 0.53 -1.70 0.02 0.00 -0.02 0.00 0.00 31.44 30.28 2pnr n GLU 395 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2pnr s PRO 396 N -0.24 3.34 0.04 3.49 0.02 -1.26 -4.94 135.00 135.44 2pnr s PRO 396 Ca 0.32 2.00 -0.33 0.00 0.02 0.00 0.00 61.00 63.01 2pnr s PRO 396 Cb 0.05 -2.26 -0.12 0.00 0.02 0.00 0.00 34.50 32.19 2pnr s PRO 396 CO -0.19 -0.96 1.78 -2.13 -0.33 0.00 0.00 177.00 175.18 2pnr n ARG 397 N -0.92 2.33 -2.30 5.54 0.63 -1.26 -4.90 116.66 115.78 2pnr n ARG 397 Ca 0.10 0.85 -0.42 0.00 -0.92 0.00 0.00 57.85 57.45 2pnr n ARG 397 Cb 0.47 -2.68 -0.03 0.00 0.45 0.00 0.00 32.46 30.67 2pnr n ARG 397 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2pnr s ASP 398 N 2.84 6.93 -0.02 6.15 2.15 -1.26 -4.95 116.67 128.51 2pnr s ASP 398 Ca 0.86 2.06 -0.30 0.00 0.43 0.00 0.00 52.55 55.60 2pnr s ASP 398 Cb -0.63 -2.57 -0.06 0.00 -0.30 0.00 0.00 42.92 39.36 2pnr s ASP 398 CO 0.44 -0.64 1.66 0.00 -0.17 0.00 0.00 175.17 176.46 2pnr s ALA 399 N 1.96 3.63 0.00 3.66 0.00 -1.26 -5.34 121.76 124.41 2pnr s ALA 399 Ca 0.61 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2pnr s ALA 399 Cb -0.30 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.09 2pnr s ALA 399 CO 0.26 -1.31 0.00 0.43 0.00 0.00 0.00 175.76 175.14