#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpk s PHE 11 N 0.00 2.64 0.51 1.61 0.40 -1.26 -5.10 117.98 116.78 1jpk s PHE 11 Ca 0.00 -0.48 -0.22 0.00 -0.60 0.00 0.00 56.93 55.63 1jpk s PHE 11 Cb 0.00 -1.76 -0.06 0.00 0.51 0.00 0.00 43.02 41.71 1jpk s PHE 11 CO 0.00 0.28 1.28 -2.14 0.70 0.00 0.00 175.22 175.34 1jpk s PRO 12 N -3.86 3.41 0.24 0.24 0.02 -1.26 -4.94 135.00 128.84 1jpk s PRO 12 Ca 0.39 2.05 -0.30 0.00 0.02 0.00 0.00 61.00 63.17 1jpk s PRO 12 Cb 0.00 -2.33 -0.09 0.00 0.02 0.00 0.00 34.50 32.10 1jpk s PRO 12 CO 0.22 -0.92 1.26 -2.00 -0.33 0.00 0.00 177.00 175.24 1jpk s GLU 13 N -2.80 4.43 0.12 5.54 2.12 -1.26 -4.51 118.70 122.35 1jpk s GLU 13 Ca 0.68 2.02 -0.31 0.00 0.36 0.00 0.00 54.97 57.72 1jpk s GLU 13 Cb -0.36 -3.18 -0.09 0.00 0.26 0.00 0.00 34.13 30.77 1jpk s GLU 13 CO 0.43 -0.15 1.54 -1.17 -0.54 0.00 0.00 175.26 175.37 1jpk s LEU 14 N -0.67 4.37 -0.14 2.70 2.96 -1.26 -4.42 118.68 122.21 1jpk s LEU 14 Ca 0.53 2.50 -0.09 0.00 -0.22 0.00 0.00 54.13 56.84 1jpk s LEU 14 Cb -0.36 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.71 1jpk s LEU 14 CO 0.41 -0.80 -0.13 0.11 -1.32 0.00 0.00 176.35 174.63 1jpk h LYS 15 N 7.22 0.00 -4.50 1.98 1.57 -0.38 -3.45 116.57 119.01 1jpk h LYS 15 Ca -0.42 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 57.64 1jpk h LYS 15 Cb 1.20 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.29 1jpk h LYS 15 CO 0.91 0.07 -0.44 1.21 -0.57 0.00 0.00 179.45 180.63 1jpk s ASN 16 N -5.79 6.03 -0.12 0.86 3.84 -1.04 -4.92 114.94 113.79 1jpk s ASN 16 Ca -0.14 -0.97 0.15 0.00 0.21 0.00 0.00 52.86 52.11 1jpk s ASN 16 Cb 0.02 -2.13 0.43 0.00 -0.55 0.00 0.00 41.25 39.02 1jpk s ASN 16 CO 0.22 -0.45 1.33 -0.90 -2.79 0.00 0.00 177.10 174.51 1jpk n ASP 17 N 5.12 3.40 -0.28 -4.21 5.75 -1.26 -4.08 116.55 120.99 1jpk n ASP 17 Ca -0.11 -2.74 0.09 0.00 -0.01 0.00 0.00 54.79 52.01 1jpk n ASP 17 Cb 0.46 -0.43 0.24 0.00 -1.03 0.00 0.00 41.12 40.36 1jpk n ASP 17 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1jpk h THR 18 N 1.56 0.55 -0.68 2.12 2.02 -1.91 -0.72 112.91 115.85 1jpk h THR 18 Ca 0.00 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.08 1jpk h THR 18 Cb 1.18 0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 1jpk h THR 18 CO 0.14 0.07 0.41 0.15 0.37 0.00 0.00 175.52 176.66 1jpk h PHE 19 N 0.40 0.77 -0.35 3.16 3.57 -1.85 -1.88 116.94 120.76 1jpk h PHE 19 Ca 0.48 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.85 1jpk h PHE 19 Cb 0.83 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1jpk h PHE 19 CO -0.17 0.42 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.86 1jpk h LEU 20 N 0.80 0.91 -0.53 0.59 3.38 -1.51 -2.23 115.31 116.73 1jpk h LEU 20 Ca 0.28 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1jpk h LEU 20 Cb 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1jpk h LEU 20 CO -0.12 1.19 0.05 0.03 0.09 0.00 0.00 178.44 179.67 1jpk h ARG 21 N 0.69 0.90 -0.45 1.13 3.08 -1.11 -1.80 114.38 116.81 1jpk h ARG 21 Ca 0.05 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 59.76 1jpk h ARG 21 Cb 0.97 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 1jpk h ARG 21 CO 0.09 0.90 -0.05 0.00 -1.07 0.00 0.00 179.97 179.84 1jpk h ALA 22 N 0.97 1.06 -0.52 0.04 0.00 -1.36 0.20 119.26 119.64 1jpk h ALA 22 Ca 0.15 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1jpk h ALA 22 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1jpk h ALA 22 CO 0.02 0.58 0.17 0.00 0.00 0.00 0.00 179.25 180.02 1jpk h ALA 23 N 1.23 1.32 -0.00 0.00 0.00 -1.06 -1.01 119.26 119.74 1jpk h ALA 23 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jpk h ALA 23 Cb 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1jpk h ALA 23 CO 0.03 0.49 -0.07 0.91 0.00 0.00 0.00 179.25 180.61 1jpk n TRP 24 N -4.31 0.00 -0.35 0.00 7.02 -0.71 -4.57 117.44 114.52 1jpk n TRP 24 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1jpk n TRP 24 Cb 0.19 -0.16 0.00 0.00 -2.42 0.00 0.00 31.31 28.91 1jpk n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1jpk n GLY 25 N 1.24 0.81 3.89 6.99 0.00 -0.38 -5.05 105.19 112.69 1jpk n GLY 25 Ca 0.16 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1jpk n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jpk s GLU 26 N -0.67 3.62 0.39 1.61 2.02 0.65 -4.70 118.70 121.63 1jpk s GLU 26 Ca 0.00 0.40 -0.24 0.00 0.02 0.00 0.00 54.97 55.15 1jpk s GLU 26 Cb 0.00 -2.31 -0.09 0.00 0.10 0.00 0.00 34.13 31.83 1jpk s GLU 26 CO 0.00 -0.25 1.02 -1.21 0.02 0.00 0.00 175.26 174.85 1jpk s GLU 27 N -4.61 4.24 0.10 1.61 0.41 -1.26 -4.14 118.70 115.05 1jpk s GLU 27 Ca 0.50 1.44 0.02 0.00 -0.41 0.00 0.00 54.97 56.53 1jpk s GLU 27 Cb -0.10 -2.55 -0.04 0.00 -1.78 0.00 0.00 34.13 29.65 1jpk s GLU 27 CO 0.43 -0.06 -0.08 0.95 -0.49 0.00 0.00 175.26 176.02 1jpk s THR 28 N -1.70 0.79 0.42 3.63 -4.23 -1.26 -4.91 115.64 108.38 1jpk s THR 28 Ca 0.57 -1.90 0.30 0.00 -1.18 0.00 0.00 61.69 59.48 1jpk s THR 28 Cb -0.20 -1.64 0.32 0.00 1.34 0.00 0.00 72.50 72.32 1jpk s THR 28 CO 0.26 -0.81 2.11 0.44 -0.54 0.00 0.00 174.62 176.07 1jpk h ASP 29 N 3.05 0.00 -5.11 3.99 3.32 -1.98 -3.45 116.42 116.24 1jpk h ASP 29 Ca -0.36 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 1jpk h ASP 29 Cb 1.17 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.67 1jpk h ASP 29 CO 0.63 0.09 0.10 -0.72 -1.72 0.00 0.00 179.24 177.62 1jpk s TYR 30 N -4.16 0.12 -0.21 4.55 -0.85 -1.26 -4.65 117.35 110.88 1jpk s TYR 30 Ca -0.03 -0.57 -0.20 0.00 -0.52 0.00 0.00 57.07 55.75 1jpk s TYR 30 Cb 0.13 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.96 1jpk s TYR 30 CO 0.56 -1.22 0.59 0.99 -1.52 0.00 0.00 175.55 174.95 1jpk s THR 31 N -3.60 5.04 0.51 -3.49 2.01 -1.26 -5.05 115.64 109.81 1jpk s THR 31 Ca 0.17 1.09 -0.20 0.00 0.31 0.00 0.00 61.69 63.05 1jpk s THR 31 Cb -0.04 -3.91 -0.07 0.00 0.01 0.00 0.00 72.50 68.50 1jpk s THR 31 CO 0.09 0.11 1.10 -2.16 -0.69 0.00 0.00 174.62 173.07 1jpk s PRO 32 N 1.97 3.56 -0.02 4.92 0.04 -1.26 -4.60 135.00 139.61 1jpk s PRO 32 Ca 0.26 1.53 -0.05 0.00 0.04 0.00 0.00 61.00 62.78 1jpk s PRO 32 Cb -0.16 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1jpk s PRO 32 CO 0.10 -0.66 0.11 0.54 0.04 0.00 0.00 177.00 177.12 1jpk s VAL 33 N -1.83 0.05 0.16 -0.36 0.11 -1.26 -1.10 120.40 116.16 1jpk s VAL 33 Ca 0.70 -0.39 -0.19 0.00 -2.93 0.00 0.00 61.98 59.18 1jpk s VAL 33 Cb -0.21 -0.29 0.04 0.00 -1.53 0.00 0.00 36.38 34.39 1jpk s VAL 33 CO 0.25 -0.21 0.50 -1.66 -3.33 0.00 0.00 175.10 170.65 1jpk s TRP 34 N -0.69 -0.29 -0.07 1.54 1.48 -1.16 -0.63 118.94 119.12 1jpk s TRP 34 Ca -0.08 -0.01 0.04 0.00 -1.06 0.00 0.00 56.10 55.00 1jpk s TRP 34 Cb -0.05 0.40 -0.00 0.00 -1.16 0.00 0.00 33.47 32.66 1jpk s TRP 34 CO 0.01 -0.81 -0.21 0.00 -4.06 0.00 0.00 176.95 171.87 1jpk s MET 36 N 0.22 4.22 -0.80 0.00 -1.94 -1.26 -1.35 119.30 118.39 1jpk s MET 36 Ca -0.12 2.38 -0.00 0.00 -1.71 0.00 0.00 55.69 56.24 1jpk s MET 36 Cb -0.15 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.57 1jpk s MET 36 CO 0.05 -0.54 0.03 0.54 -0.01 0.00 0.00 175.02 175.10 1jpk n ARG 37 N 3.03 -0.92 0.27 2.03 1.74 -1.26 -2.10 116.66 119.45 1jpk n ARG 37 Ca 0.10 0.45 0.11 0.00 -0.77 0.00 0.00 57.85 57.74 1jpk n ARG 37 Cb 0.39 -4.46 0.73 0.00 -1.02 0.00 0.00 32.46 28.10 1jpk n ARG 37 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1jpk h GLN 38 N -0.07 0.00 -3.84 5.56 3.07 -1.63 -2.91 115.11 115.30 1jpk h GLN 38 Ca -0.23 0.00 -0.79 0.00 0.09 0.00 0.00 58.65 57.72 1jpk h GLN 38 Cb 1.17 0.00 -0.26 0.00 0.08 0.00 0.00 27.48 28.47 1jpk h GLN 38 CO 0.26 0.05 0.09 0.00 0.09 0.00 0.00 178.83 179.33 1jpk s ALA 39 N -4.70 4.08 0.26 0.06 0.00 -1.26 -4.51 121.76 115.69 1jpk s ALA 39 Ca -0.04 -3.31 -0.08 0.00 0.00 0.00 0.00 51.96 48.53 1jpk s ALA 39 Cb 0.16 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 1jpk s ALA 39 CO 0.62 -2.27 0.41 0.20 0.00 0.00 0.00 175.76 174.71 1jpk s GLY 40 N 2.19 0.96 0.31 0.00 0.00 -1.10 -5.04 107.32 104.64 1jpk s GLY 40 Ca 0.18 -1.21 0.15 0.00 0.00 0.00 0.00 44.72 43.84 1jpk s GLY 40 CO -0.09 -0.87 1.39 0.54 0.00 0.00 0.00 173.10 174.07 1jpk n ARG 41 N -0.41 0.10 0.29 2.90 1.74 -1.26 -1.25 116.66 118.78 1jpk n ARG 41 Ca -0.00 0.58 0.18 0.00 -0.77 0.00 0.00 57.85 57.84 1jpk n ARG 41 Cb 0.63 -2.03 0.84 0.00 -1.02 0.00 0.00 32.46 30.87 1jpk n ARG 41 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 1jpk h TYR 42 N 0.00 0.00 -3.51 -1.55 -0.00 -1.79 -3.41 116.97 106.71 1jpk h TYR 42 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 58.73 58.12 1jpk h TYR 42 Cb 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 36.73 37.01 1jpk h TYR 42 CO 0.00 0.03 -0.21 -0.51 -0.00 0.00 0.00 178.16 177.47 1jpk s LEU 43 N -6.35 4.14 0.21 0.10 1.43 -0.38 -4.59 118.68 113.24 1jpk s LEU 43 Ca -0.01 0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 53.47 1jpk s LEU 43 Cb 0.11 -2.50 0.23 0.00 0.03 0.00 0.00 46.19 44.06 1jpk s LEU 43 CO 0.52 -0.09 1.82 -0.65 0.23 0.00 0.00 176.35 178.17 1jpk h PRO 44 N 7.49 0.72 -0.05 1.29 0.11 -1.87 -1.29 132.00 138.40 1jpk h PRO 44 Ca -0.35 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.73 1jpk h PRO 44 Cb 1.16 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1jpk h PRO 44 CO 0.71 0.47 0.06 1.05 -0.21 0.00 0.00 178.00 180.08 1jpk h GLU 45 N 0.74 0.00 -0.15 1.05 9.09 -1.94 -2.06 114.58 121.30 1jpk h GLU 45 Ca 0.30 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.64 1jpk h GLU 45 Cb 0.14 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.24 1jpk h GLU 45 CO -0.16 0.00 -0.18 0.35 0.05 0.00 0.00 179.01 179.06 1jpk h PHE 46 N 0.00 0.48 -0.66 2.06 3.57 -1.51 -2.52 116.94 118.36 1jpk h PHE 46 Ca 0.02 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 1jpk h PHE 46 Cb 0.14 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1jpk h PHE 46 CO 0.00 0.80 0.22 0.00 -2.23 0.00 0.00 178.31 177.10 1jpk h ARG 47 N 0.02 1.01 0.14 1.11 3.08 -1.33 -0.69 114.38 117.72 1jpk h ARG 47 Ca 0.02 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1jpk h ARG 47 Cb 0.73 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1jpk h ARG 47 CO 0.04 0.87 -0.07 1.49 -1.07 0.00 0.00 179.97 181.24 1jpk h GLU 48 N 0.94 -0.18 -0.81 0.04 4.81 -1.50 0.15 114.58 118.03 1jpk h GLU 48 Ca 0.21 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1jpk h GLU 48 Cb 0.27 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1jpk h GLU 48 CO -0.01 -0.09 0.37 1.15 -0.73 0.00 0.00 179.01 179.70 1jpk h THR 49 N -0.23 1.26 0.00 0.32 2.02 -1.41 -2.02 112.91 112.85 1jpk h THR 49 Ca -0.02 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 66.35 1jpk h THR 49 Cb 0.18 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1jpk h THR 49 CO 0.03 0.31 -0.32 -0.09 0.37 0.00 0.00 175.52 175.82 1jpk h ARG 50 N 1.16 0.00 0.00 6.66 1.12 -0.91 -2.86 114.38 119.54 1jpk h ARG 50 Ca 0.28 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.15 1jpk h ARG 50 Cb 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 1jpk h ARG 50 CO -0.03 0.32 0.00 0.00 -3.11 0.00 0.00 179.97 177.15 1jpk n ALA 51 N -2.37 2.34 -0.10 2.80 0.00 0.52 -3.66 120.51 120.03 1jpk n ALA 51 Ca -0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 1jpk n ALA 51 Cb 0.40 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1jpk n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jpk h ALA 52 N 2.90 0.40 -3.00 0.00 0.00 -1.56 -3.47 119.26 114.52 1jpk h ALA 52 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jpk h ALA 52 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1jpk h ALA 52 CO 0.00 0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.32 1jpk n GLN 53 N -4.70 0.00 -1.29 0.00 6.02 -1.24 -5.08 117.38 111.09 1jpk n GLN 53 Ca -0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.67 1jpk n GLN 53 Cb 0.16 0.00 0.23 0.00 1.02 0.00 0.00 30.24 31.65 1jpk n GLN 53 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1jpk s ASP 54 N 1.60 1.35 0.06 1.08 -4.77 -1.26 -4.80 116.67 109.93 1jpk s ASP 54 Ca 0.00 0.50 -0.34 0.00 -3.30 0.00 0.00 52.55 49.41 1jpk s ASP 54 Cb 0.00 -0.67 -0.18 0.00 -1.09 0.00 0.00 42.92 40.98 1jpk s ASP 54 CO 0.00 -3.84 1.51 0.15 0.70 0.00 0.00 175.17 173.69 1jpk h PHE 55 N -2.39 -1.20 -0.19 2.11 3.04 -1.88 -2.92 116.94 113.51 1jpk h PHE 55 Ca -0.44 -0.02 -0.69 0.00 3.98 0.00 0.00 57.97 60.81 1jpk h PHE 55 Cb 1.28 0.42 -0.00 0.00 2.56 0.00 0.00 35.95 40.20 1jpk h PHE 55 CO -2.05 -0.69 3.56 1.19 -2.02 0.00 0.00 178.31 178.31 1jpk n PHE 56 N -5.31 2.57 0.00 0.41 3.01 -1.26 -2.69 117.46 114.18 1jpk n PHE 56 Ca -0.14 -3.04 0.00 0.00 1.01 0.00 0.00 57.45 55.28 1jpk n PHE 56 Cb 0.47 -2.40 0.00 0.00 -0.01 0.00 0.00 39.48 37.54 1jpk n PHE 56 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1jpk n SER 57 N 3.57 0.00 -0.42 4.37 2.88 -1.22 -4.68 113.62 118.12 1jpk n SER 57 Ca 0.73 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.38 1jpk n SER 57 Cb 0.25 0.03 0.45 0.00 -0.75 0.00 0.00 64.21 64.19 1jpk n SER 57 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1jpk n THR 58 N -1.44 0.14 -0.06 2.46 -1.04 -1.10 -3.10 114.28 110.13 1jpk n THR 58 Ca 0.00 -0.26 -0.07 0.00 -2.04 0.00 0.00 64.05 61.68 1jpk n THR 58 Cb 0.00 0.24 -0.06 0.00 -1.82 0.00 0.00 70.33 68.68 1jpk n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jpk n ARG 60 N -2.70 0.81 -3.60 0.00 1.74 -1.18 -4.65 116.66 107.08 1jpk n ARG 60 Ca -0.20 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.48 1jpk n ARG 60 Cb 0.76 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.60 1jpk n ARG 60 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1jpk s SER 61 N -2.02 5.70 0.24 0.55 0.15 -1.18 -4.95 113.70 112.19 1jpk s SER 61 Ca 0.39 -1.16 -0.06 0.00 0.70 0.00 0.00 55.95 55.82 1jpk s SER 61 Cb 0.18 -2.01 0.44 0.00 -1.71 0.00 0.00 66.02 62.93 1jpk s SER 61 CO 0.31 -0.44 1.65 -0.65 1.20 0.00 0.00 173.24 175.31 1jpk h PRO 62 N 8.43 0.14 -0.49 5.44 0.11 -1.83 0.14 132.00 143.95 1jpk h PRO 62 Ca -0.25 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1jpk h PRO 62 Cb 1.10 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1jpk h PRO 62 CO 0.70 0.10 0.16 0.93 -0.21 0.00 0.00 178.00 179.68 1jpk h GLU 63 N 0.15 0.72 -0.15 1.05 4.39 -1.94 0.45 114.58 119.24 1jpk h GLU 63 Ca 0.41 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.95 1jpk h GLU 63 Cb 0.72 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1jpk h GLU 63 CO -0.61 0.62 -0.09 0.00 -1.16 0.00 0.00 179.01 177.77 1jpk h ALA 64 N 1.47 0.22 -0.49 3.43 0.00 -1.32 -1.70 119.26 120.86 1jpk h ALA 64 Ca 0.17 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1jpk h ALA 64 Cb 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1jpk h ALA 64 CO -0.01 0.03 -0.08 0.00 0.00 0.00 0.00 179.25 179.19 1jpk h GLU 67 N 0.97 0.67 -0.69 0.00 4.57 -1.03 -0.92 114.58 118.15 1jpk h GLU 67 Ca 0.25 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 1jpk h GLU 67 Cb 0.06 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 1jpk h GLU 67 CO -0.04 0.64 0.26 -0.07 -1.18 0.00 0.00 179.01 178.62 1jpk h LEU 68 N 0.56 0.95 -0.40 1.64 3.38 -1.13 -1.06 115.31 119.24 1jpk h LEU 68 Ca 0.14 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1jpk h LEU 68 Cb 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1jpk h LEU 68 CO -0.01 0.85 0.07 0.74 0.09 0.00 0.00 178.44 180.18 1jpk h THR 69 N 1.00 1.24 0.00 0.22 2.02 -0.88 -3.18 112.91 113.33 1jpk h THR 69 Ca 0.23 -0.86 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 1jpk h THR 69 Cb 0.22 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1jpk h THR 69 CO -0.02 0.30 -0.31 -0.07 0.37 0.00 0.00 175.52 175.79 1jpk h LEU 70 N 0.52 0.00 -0.40 2.58 3.38 -0.89 -3.37 115.31 117.13 1jpk h LEU 70 Ca 0.12 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1jpk h LEU 70 Cb 0.37 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 1jpk h LEU 70 CO 0.01 0.31 -0.16 1.56 0.09 0.00 0.00 178.44 180.24 1jpk h GLN 71 N 0.00 -0.08 -0.34 1.13 4.20 -1.18 -2.35 115.11 116.49 1jpk h GLN 71 Ca -0.00 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1jpk h GLN 71 Cb 0.95 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 1jpk h GLN 71 CO 0.04 -0.06 0.02 -1.00 -0.67 0.00 0.00 178.83 177.17 1jpk h PRO 72 N -0.09 0.52 0.00 1.46 0.13 -1.76 -2.39 132.00 129.87 1jpk h PRO 72 Ca 0.20 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1jpk h PRO 72 Cb 0.39 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.43 1jpk h PRO 72 CO -0.46 0.53 -0.04 -0.07 -0.23 0.00 0.00 178.00 177.74 1jpk h LEU 73 N 0.50 0.00 -0.28 1.56 3.38 -1.61 0.16 115.31 119.02 1jpk h LEU 73 Ca 0.11 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1jpk h LEU 73 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1jpk h LEU 73 CO 0.01 0.04 -0.58 0.03 0.09 0.00 0.00 178.44 178.02 1jpk h ARG 74 N 0.00 0.00 0.08 1.13 3.08 -1.21 -3.33 114.38 114.13 1jpk h ARG 74 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.70 1jpk h ARG 74 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1jpk h ARG 74 CO 0.00 0.58 -1.92 0.54 -1.07 0.00 0.00 179.97 178.10 1jpk n ARG 75 N -3.36 0.70 -4.58 0.04 1.74 -0.28 -4.98 116.66 105.95 1jpk n ARG 75 Ca 0.01 0.32 -0.24 0.00 -0.77 0.00 0.00 57.85 57.16 1jpk n ARG 75 Cb 0.72 -1.69 -0.14 0.00 -1.02 0.00 0.00 32.46 30.33 1jpk n ARG 75 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jpk s PHE 76 N -2.51 1.70 -1.38 -1.55 0.40 0.39 -5.03 117.98 110.00 1jpk s PHE 76 Ca -0.26 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 55.61 1jpk s PHE 76 Cb 0.07 -1.01 -0.09 0.00 0.51 0.00 0.00 43.02 42.50 1jpk s PHE 76 CO 0.70 0.08 2.84 -0.35 0.70 0.00 0.00 175.22 179.20 1jpk n PRO 77 N 1.85 3.28 -2.06 0.24 -0.04 -1.26 -4.29 135.00 132.72 1jpk n PRO 77 Ca -0.17 -1.97 -0.36 0.00 -0.04 0.00 0.00 63.50 60.95 1jpk n PRO 77 Cb 0.54 -2.68 0.02 0.00 -0.04 0.00 0.00 33.50 31.34 1jpk n PRO 77 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jpk s LEU 78 N 0.14 3.73 0.00 1.53 1.43 -1.26 -4.93 118.68 119.32 1jpk s LEU 78 Ca 0.64 2.38 0.15 0.00 -1.03 0.00 0.00 54.13 56.27 1jpk s LEU 78 Cb 0.17 -4.54 0.47 0.00 0.03 0.00 0.00 46.19 42.32 1jpk s LEU 78 CO -0.05 -1.47 1.37 0.47 0.23 0.00 0.00 176.35 176.91 1jpk n ASP 79 N -1.39 2.18 -3.53 2.29 8.00 0.20 -4.90 116.55 119.41 1jpk n ASP 79 Ca 0.12 -1.93 -0.10 0.00 0.71 0.00 0.00 54.79 53.60 1jpk n ASP 79 Cb 0.49 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 1jpk n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jpk s ALA 80 N -1.53 -1.86 0.07 2.24 0.00 -1.26 -4.25 121.76 115.18 1jpk s ALA 80 Ca 0.30 1.23 0.09 0.00 0.00 0.00 0.00 51.96 53.58 1jpk s ALA 80 Cb 0.16 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1jpk s ALA 80 CO 0.22 -0.55 -0.25 0.00 0.00 0.00 0.00 175.76 175.18 1jpk s ALA 81 N -2.35 2.16 -0.08 0.00 0.00 -0.23 -4.90 121.76 116.37 1jpk s ALA 81 Ca 0.02 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.74 1jpk s ALA 81 Cb -0.01 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 1jpk s ALA 81 CO -0.04 0.50 -0.22 -1.50 0.00 0.00 0.00 175.76 174.49 1jpk s ILE 82 N -0.91 1.88 0.25 0.00 2.07 -1.26 0.57 121.20 123.80 1jpk s ILE 82 Ca 0.11 -0.94 -0.31 0.00 -1.41 0.00 0.00 60.65 58.10 1jpk s ILE 82 Cb -0.10 -1.62 -0.12 0.00 0.13 0.00 0.00 42.46 40.75 1jpk s ILE 82 CO 0.03 0.52 1.54 0.00 -1.91 0.00 0.00 174.94 175.13 1jpk n ILE 83 N 3.34 0.78 -2.68 2.00 0.00 -0.08 -4.79 119.36 117.93 1jpk n ILE 83 Ca -0.19 -0.20 -0.42 0.00 0.00 0.00 0.00 62.75 61.95 1jpk n ILE 83 Cb 0.53 -1.76 -0.04 0.00 0.00 0.00 0.00 39.64 38.37 1jpk n ILE 83 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1jpk s PHE 84 N 0.20 3.69 0.05 9.51 5.36 -1.26 -4.91 117.98 130.63 1jpk s PHE 84 Ca 0.68 1.70 -0.27 0.00 -0.96 0.00 0.00 56.93 58.08 1jpk s PHE 84 Cb -0.57 -3.13 0.09 0.00 -0.34 0.00 0.00 43.02 39.07 1jpk s PHE 84 CO 0.46 -0.09 0.75 0.45 -1.46 0.00 0.00 175.22 175.33 1jpk s SER 85 N 0.54 -0.49 -0.12 6.13 0.15 -1.26 -4.90 113.70 113.75 1jpk s SER 85 Ca 0.50 0.11 -0.07 0.00 0.70 0.00 0.00 55.95 57.20 1jpk s SER 85 Cb -0.23 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 1jpk s SER 85 CO 0.29 -0.75 0.13 -1.81 1.20 0.00 0.00 173.24 172.31 1jpk s ASP 86 N -2.35 6.33 0.00 5.45 1.11 -1.26 -5.05 116.67 120.91 1jpk s ASP 86 Ca 0.01 0.44 0.00 0.00 0.18 0.00 0.00 52.55 53.18 1jpk s ASP 86 Cb -0.01 -2.05 0.00 0.00 1.07 0.00 0.00 42.92 41.94 1jpk s ASP 86 CO -0.08 0.40 0.64 -0.38 1.18 0.00 0.00 175.17 176.93 1jpk n ILE 87 N 2.06 0.00 0.00 0.77 2.08 -1.26 -3.09 119.36 119.92 1jpk n ILE 87 Ca -0.20 1.10 0.00 0.00 0.56 0.00 0.00 62.75 64.21 1jpk n ILE 87 Cb 0.55 -1.56 0.00 0.00 -0.75 0.00 0.00 39.64 37.88 1jpk n ILE 87 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1jpk n LEU 88 N -1.72 0.00 -0.25 1.39 4.77 -1.26 -4.14 117.00 115.79 1jpk n LEU 88 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1jpk n LEU 88 Cb 0.00 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.25 1jpk n LEU 88 CO 0.00 0.00 1.14 -0.37 -1.33 0.00 0.00 177.39 176.83 1jpk h VAL 89 N 0.00 1.23 0.05 4.08 -1.51 -1.97 -1.08 116.25 117.04 1jpk h VAL 89 Ca 0.00 -0.61 -0.00 0.00 -1.23 0.00 0.00 66.70 64.86 1jpk h VAL 89 Cb 0.00 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 29.37 1jpk h VAL 89 CO 0.00 0.27 -0.02 0.58 -1.23 0.00 0.00 177.57 177.16 1jpk h VAL 90 N 1.09 1.27 -0.85 7.19 2.07 -1.88 0.27 116.25 125.41 1jpk h VAL 90 Ca 0.27 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.74 1jpk h VAL 90 Cb 0.05 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1jpk h VAL 90 CO -0.04 0.27 0.55 -0.65 0.02 0.00 0.00 177.57 177.73 1jpk h PRO 91 N -0.55 0.98 -0.15 1.57 0.11 -1.86 -0.80 132.00 131.30 1jpk h PRO 91 Ca -0.01 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1jpk h PRO 91 Cb 0.49 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1jpk h PRO 91 CO 0.01 0.65 0.06 0.37 -0.21 0.00 0.00 178.00 178.88 1jpk h GLN 92 N 1.01 0.22 0.00 1.05 4.15 -1.14 -2.11 115.11 118.28 1jpk h GLN 92 Ca 0.35 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 1jpk h GLN 92 Cb 0.10 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 1jpk h GLN 92 CO -0.11 0.30 -0.04 0.00 -1.93 0.00 0.00 178.83 177.05 1jpk h ALA 93 N 0.91 1.27 -0.00 3.38 0.00 -0.18 0.17 119.26 124.81 1jpk h ALA 93 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jpk h ALA 93 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1jpk h ALA 93 CO -0.00 0.04 -0.07 1.28 0.00 0.00 0.00 179.25 180.49 1jpk n LEU 94 N -3.52 0.19 0.00 0.00 4.77 -0.38 -4.76 117.00 113.30 1jpk n LEU 94 Ca -0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1jpk n LEU 94 Cb 0.14 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1jpk n LEU 94 CO 0.26 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1jpk n GLY 95 N 1.34 1.09 3.84 -0.72 0.00 0.04 0.63 105.19 111.41 1jpk n GLY 95 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1jpk n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jpk s MET 96 N -0.26 3.90 -0.14 1.61 -1.94 -0.97 -4.94 119.30 116.57 1jpk s MET 96 Ca 0.00 0.39 -0.20 0.00 -1.71 0.00 0.00 55.69 54.17 1jpk s MET 96 Cb 0.00 -3.18 -0.04 0.00 2.01 0.00 0.00 34.83 33.63 1jpk s MET 96 CO 0.00 0.66 0.56 -1.21 -0.01 0.00 0.00 175.02 175.02 1jpk s GLU 97 N -1.23 4.31 -0.00 2.03 0.41 -1.26 -4.22 118.70 118.74 1jpk s GLU 97 Ca 0.26 0.56 0.00 0.00 -0.41 0.00 0.00 54.97 55.38 1jpk s GLU 97 Cb -0.16 -3.49 -0.04 0.00 -1.78 0.00 0.00 34.13 28.66 1jpk s GLU 97 CO 0.14 0.01 0.05 0.08 -0.49 0.00 0.00 175.26 175.05 1jpk s VAL 98 N 1.09 4.50 -0.53 2.63 1.01 -1.26 -4.11 120.40 123.73 1jpk s VAL 98 Ca 0.28 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.84 1jpk s VAL 98 Cb -0.16 -3.04 0.26 0.00 0.00 0.00 0.00 36.38 33.44 1jpk s VAL 98 CO 0.12 0.35 0.67 0.35 0.00 0.00 0.00 175.10 176.59 1jpk n THR 99 N 1.24 1.15 -1.68 3.92 -2.24 -0.27 -5.01 114.28 111.40 1jpk n THR 99 Ca -0.14 -4.76 -0.40 0.00 -2.27 0.00 0.00 64.05 56.49 1jpk n THR 99 Cb 0.53 -1.94 -0.03 0.00 -2.10 0.00 0.00 70.33 66.79 1jpk n THR 99 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1jpk s MET 100 N -2.04 2.69 0.19 -0.78 1.75 -1.26 -4.55 119.30 115.30 1jpk s MET 100 Ca 0.39 1.57 0.05 0.00 -1.25 0.00 0.00 55.69 56.45 1jpk s MET 100 Cb 0.17 -4.44 -0.04 0.00 2.84 0.00 0.00 34.83 33.37 1jpk s MET 100 CO -0.06 -2.61 0.17 0.14 -0.65 0.00 0.00 175.02 172.01 1jpk s VAL 101 N 9.79 4.54 0.35 10.11 -7.23 -1.10 -4.83 120.40 132.02 1jpk s VAL 101 Ca 0.94 -1.14 0.08 0.00 -1.81 0.00 0.00 61.98 60.04 1jpk s VAL 101 Cb -0.23 -3.36 0.12 0.00 0.56 0.00 0.00 36.38 33.47 1jpk s VAL 101 CO 0.30 -0.18 1.84 1.55 -0.31 0.00 0.00 175.10 178.30 1jpk h PRO 102 N 2.12 0.28 0.11 4.82 0.13 -1.94 -1.37 132.00 136.15 1jpk h PRO 102 Ca -0.48 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 64.56 1jpk h PRO 102 Cb 1.21 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1jpk h PRO 102 CO 0.63 0.48 -0.05 0.78 -0.23 0.00 0.00 178.00 179.61 1jpk h GLY 103 N 0.91 -0.15 0.35 1.56 0.00 -2.01 -3.40 103.07 100.33 1jpk h GLY 103 Ca 0.04 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1jpk h GLY 103 CO 0.03 -0.06 -0.06 0.50 0.00 0.00 0.00 176.54 176.96 1jpk h LYS 104 N -0.81 -0.16 0.00 4.80 1.57 -1.99 -3.50 116.57 116.48 1jpk h LYS 104 Ca -0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jpk h LYS 104 Cb 0.11 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1jpk h LYS 104 CO 0.02 0.32 0.00 0.41 -0.57 0.00 0.00 179.45 179.63 1jpk n GLY 105 N 0.64 0.59 3.66 3.86 0.00 -0.52 -4.99 105.19 108.43 1jpk n GLY 105 Ca -0.08 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 1jpk n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jpk s PRO 106 N 0.00 4.18 -0.16 1.61 0.04 -1.26 -2.69 135.00 136.73 1jpk s PRO 106 Ca 0.00 2.18 -0.17 0.00 0.04 0.00 0.00 61.00 63.05 1jpk s PRO 106 Cb 0.00 -3.96 0.05 0.00 0.04 0.00 0.00 34.50 30.62 1jpk s PRO 106 CO 0.00 -0.83 0.48 0.45 0.04 0.00 0.00 177.00 177.13 1jpk s SER 107 N 3.26 -0.48 -0.35 6.66 0.15 -1.26 -4.55 113.70 117.13 1jpk s SER 107 Ca 0.73 0.87 -0.03 0.00 0.70 0.00 0.00 55.95 58.22 1jpk s SER 107 Cb -0.33 0.89 0.08 0.00 -1.71 0.00 0.00 66.02 64.95 1jpk s SER 107 CO 0.29 -0.22 0.10 -0.36 1.20 0.00 0.00 173.24 174.25 1jpk s PHE 108 N 0.01 3.43 0.59 3.44 0.40 0.40 -1.12 117.98 125.13 1jpk s PHE 108 Ca -0.02 -2.11 0.30 0.00 -0.60 0.00 0.00 56.93 54.50 1jpk s PHE 108 Cb -0.03 -2.65 1.83 0.00 0.51 0.00 0.00 43.02 42.68 1jpk s PHE 108 CO 0.02 -0.88 2.25 -1.00 0.70 0.00 0.00 175.22 176.31 1jpk h PRO 109 N 8.03 0.00 -3.03 0.24 0.13 -1.86 -3.29 132.00 132.22 1jpk h PRO 109 Ca -0.17 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.34 1jpk h PRO 109 Cb 1.06 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.78 1jpk h PRO 109 CO 0.61 0.00 -0.69 -1.21 -0.23 0.00 0.00 178.00 176.48 1jpk s GLU 110 N -4.62 1.74 0.78 0.86 8.01 -1.26 -5.12 118.70 119.09 1jpk s GLU 110 Ca -0.05 -2.55 -0.11 0.00 0.01 0.00 0.00 54.97 52.26 1jpk s GLU 110 Cb 0.15 -2.76 0.06 0.00 -4.31 0.00 0.00 34.13 27.27 1jpk s GLU 110 CO 0.54 -1.21 1.09 -2.14 0.01 0.00 0.00 175.26 173.54 1jpk s PRO 111 N -0.36 2.23 0.01 0.39 0.02 -1.24 -4.91 135.00 131.14 1jpk s PRO 111 Ca 0.22 0.79 -0.30 0.00 0.02 0.00 0.00 61.00 61.73 1jpk s PRO 111 Cb -0.15 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.41 1jpk s PRO 111 CO -0.07 -1.55 0.96 -0.51 -0.33 0.00 0.00 177.00 175.49 1jpk s LEU 112 N -5.78 4.39 0.00 -5.54 1.43 -0.08 -4.87 118.68 108.22 1jpk s LEU 112 Ca 0.60 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 1jpk s LEU 112 Cb -0.15 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.53 1jpk s LEU 112 CO 0.55 -0.22 0.00 0.54 0.23 0.00 0.00 176.35 177.45 1jpk n ARG 113 N 3.72 1.11 -4.28 1.70 5.12 -1.26 -4.38 116.66 118.39 1jpk n ARG 113 Ca 0.05 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.73 1jpk n ARG 113 Cb 0.51 -0.67 -0.08 0.00 -1.16 0.00 0.00 32.46 31.06 1jpk n ARG 113 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1jpk s GLU 114 N -1.35 2.27 0.40 5.56 2.56 -1.26 -5.02 118.70 121.86 1jpk s GLU 114 Ca 0.00 -1.33 0.07 0.00 0.00 0.00 0.00 54.97 53.71 1jpk s GLU 114 Cb 0.00 -2.20 0.82 0.00 2.00 0.00 0.00 34.13 34.75 1jpk s GLU 114 CO 0.00 0.40 2.02 1.49 -0.56 0.00 0.00 175.26 178.60 1jpk h GLU 115 N 2.25 0.51 0.00 4.30 4.81 -1.99 -2.03 114.58 122.42 1jpk h GLU 115 Ca -0.45 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1jpk h GLU 115 Cb 1.23 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1jpk h GLU 115 CO 0.59 0.39 -0.03 0.37 -0.73 0.00 0.00 179.01 179.60 1jpk h GLN 116 N 0.52 0.00 0.00 1.92 4.15 -2.03 -2.06 115.11 117.60 1jpk h GLN 116 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1jpk h GLN 116 Cb 0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1jpk h GLN 116 CO -0.02 0.03 0.00 -0.44 -1.93 0.00 0.00 178.83 176.47 1jpk h ASP 117 N 0.00 0.00 0.80 -0.69 3.32 -1.77 -1.91 116.42 116.17 1jpk h ASP 117 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1jpk h ASP 117 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1jpk h ASP 117 CO 0.00 0.00 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.36 1jpk h LEU 118 N 0.00 0.00 -1.78 1.55 3.38 -1.55 -3.10 115.31 113.81 1jpk h LEU 118 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1jpk h LEU 118 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jpk h LEU 118 CO 0.00 0.10 -0.15 -0.33 0.09 0.00 0.00 178.44 178.14 1jpk h GLU 119 N 0.00 0.00 0.00 1.13 5.08 -1.56 -2.44 114.58 116.79 1jpk h GLU 119 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jpk h GLU 119 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1jpk h GLU 119 CO 0.01 0.15 0.00 2.89 -1.00 0.00 0.00 179.01 181.07 1jpk n ARG 120 N -3.76 0.57 -2.85 2.33 1.85 -1.17 -4.85 116.66 108.78 1jpk n ARG 120 Ca -0.02 0.01 -0.34 0.00 -1.00 0.00 0.00 57.85 56.50 1jpk n ARG 120 Cb 0.26 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.10 1jpk n ARG 120 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1jpk s LEU 121 N -2.42 4.04 0.63 2.89 1.43 -0.92 -4.78 118.68 119.55 1jpk s LEU 121 Ca 0.33 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.98 1jpk s LEU 121 Cb 0.20 -4.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.03 1jpk s LEU 121 CO 0.43 -0.28 1.04 -0.13 0.23 0.00 0.00 176.35 177.64 1jpk s ARG 122 N -2.91 3.36 0.09 1.70 0.52 0.21 -4.98 118.95 116.94 1jpk s ARG 122 Ca 0.58 0.92 -0.31 0.00 -0.52 0.00 0.00 55.73 56.40 1jpk s ARG 122 Cb -0.11 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.22 1jpk s ARG 122 CO 0.16 -0.76 1.64 0.34 0.02 0.00 0.00 175.30 176.70 1jpk s ASP 123 N -3.69 6.59 0.66 0.23 -1.08 -1.26 -4.84 116.67 113.27 1jpk s ASP 123 Ca 0.58 2.53 0.29 0.00 -0.52 0.00 0.00 52.55 55.43 1jpk s ASP 123 Cb -0.13 -2.57 1.59 0.00 -1.46 0.00 0.00 42.92 40.35 1jpk s ASP 123 CO 0.49 -0.88 1.90 1.55 0.52 0.00 0.00 175.17 178.75 1jpk h PRO 124 N 8.01 0.00 0.00 4.34 0.13 -1.89 -1.13 132.00 141.46 1jpk h PRO 124 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1jpk h PRO 124 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1jpk h PRO 124 CO 0.93 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.63 1jpk h GLU 125 N 0.00 0.00 -0.06 0.86 5.08 -1.88 -2.81 114.58 115.76 1jpk h GLU 125 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1jpk h GLU 125 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1jpk h GLU 125 CO -0.00 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.34 1jpk n VAL 126 N -2.63 0.06 -0.19 3.13 0.24 -0.43 -4.54 118.33 113.96 1jpk n VAL 126 Ca 0.01 -0.53 -0.09 0.00 -2.04 0.00 0.00 64.34 61.70 1jpk n VAL 126 Cb 0.26 1.39 0.01 0.00 -1.47 0.00 0.00 33.84 34.03 1jpk n VAL 126 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1jpk h VAL 127 N 4.17 1.25 -0.94 3.34 2.07 -1.61 -3.10 116.25 121.43 1jpk h VAL 127 Ca 0.00 -0.88 0.09 0.00 0.82 0.00 0.00 66.70 66.73 1jpk h VAL 127 Cb 0.89 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.38 1jpk h VAL 127 CO 0.00 0.32 0.58 0.00 0.02 0.00 0.00 177.57 178.49 1jpk h ALA 128 N 1.00 1.36 0.00 1.67 0.00 -1.80 0.14 119.26 121.64 1jpk h ALA 128 Ca 0.17 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1jpk h ALA 128 Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jpk h ALA 128 CO 0.00 0.25 -0.19 0.66 0.00 0.00 0.00 179.25 179.97 1jpk h SER 129 N 0.99 0.00 1.84 0.00 4.64 -1.85 -2.28 113.55 116.88 1jpk h SER 129 Ca 0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.75 1jpk h SER 129 Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1jpk h SER 129 CO -0.23 0.19 -0.16 -0.33 -0.87 0.00 0.00 176.83 175.43 1jpk h GLU 130 N 0.00 0.00 -0.52 4.77 4.39 -0.94 -3.29 114.58 119.00 1jpk h GLU 130 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1jpk h GLU 130 Cb 0.59 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1jpk h GLU 130 CO 0.03 0.05 0.04 1.28 -1.16 0.00 0.00 179.01 179.25 1jpk n LEU 131 N -3.07 5.30 -0.07 1.33 4.77 -0.77 -4.63 117.00 119.86 1jpk n LEU 131 Ca 0.03 -3.03 0.19 0.00 -0.03 0.00 0.00 56.01 53.18 1jpk n LEU 131 Cb 0.56 -0.66 0.64 0.00 -2.33 0.00 0.00 43.42 41.62 1jpk n LEU 131 CO 0.35 0.68 1.20 1.23 -1.33 0.00 0.00 177.39 179.53 1jpk h GLY 132 N 3.16 0.22 2.00 -0.72 0.00 -1.61 -0.44 103.07 105.67 1jpk h GLY 132 Ca 0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 1jpk h GLY 132 CO 0.46 0.02 -0.22 0.10 0.00 0.00 0.00 176.54 176.90 1jpk h TYR 133 N 0.13 0.00 -0.25 5.60 -0.00 -1.90 -1.73 116.97 118.81 1jpk h TYR 133 Ca 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.93 1jpk h TYR 133 Cb 1.03 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.75 1jpk h TYR 133 CO -0.00 0.22 -0.25 0.28 -0.00 0.00 0.00 178.16 178.41 1jpk h VAL 134 N 0.00 1.31 -0.94 -0.90 2.07 -1.41 -2.39 116.25 113.99 1jpk h VAL 134 Ca -0.00 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 1jpk h VAL 134 Cb 0.39 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1jpk h VAL 134 CO 0.03 0.44 0.59 -0.26 0.02 0.00 0.00 177.57 178.39 1jpk h PHE 135 N 0.33 1.22 -0.52 1.57 0.05 -1.39 -1.11 116.94 117.09 1jpk h PHE 135 Ca 0.04 0.01 -0.11 0.00 3.82 0.00 0.00 57.97 61.73 1jpk h PHE 135 Cb 0.81 -0.40 -0.02 0.00 2.00 0.00 0.00 35.95 38.33 1jpk h PHE 135 CO 0.07 0.79 -0.10 1.96 -0.18 0.00 0.00 178.31 180.86 1jpk h GLN 136 N 1.29 0.95 -0.39 1.51 4.20 -1.27 -1.54 115.11 119.86 1jpk h GLN 136 Ca 0.34 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 1jpk h GLN 136 Cb -0.09 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1jpk h GLN 136 CO -0.07 1.00 -0.19 0.00 -0.67 0.00 0.00 178.83 178.90 1jpk h ALA 137 N 1.03 0.93 -0.08 3.87 0.00 -0.93 -1.54 119.26 122.54 1jpk h ALA 137 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1jpk h ALA 137 Cb 0.64 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jpk h ALA 137 CO 0.04 0.61 0.01 0.82 0.00 0.00 0.00 179.25 180.74 1jpk h ILE 138 N 0.66 1.21 -0.27 0.00 2.04 -0.89 0.12 117.51 120.37 1jpk h ILE 138 Ca 0.10 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1jpk h ILE 138 Cb 0.69 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1jpk h ILE 138 CO 0.05 0.18 0.18 0.74 0.00 0.00 0.00 178.15 179.31 1jpk h THR 139 N -0.10 1.07 -0.59 -0.27 2.02 -1.07 0.59 112.91 114.55 1jpk h THR 139 Ca 0.02 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1jpk h THR 139 Cb 0.28 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1jpk h THR 139 CO 0.00 0.07 0.38 0.25 0.37 0.00 0.00 175.52 176.59 1jpk h LEU 140 N 0.37 0.64 -0.72 2.58 5.85 -1.23 -0.42 115.31 122.38 1jpk h LEU 140 Ca 0.10 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1jpk h LEU 140 Cb -0.04 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1jpk h LEU 140 CO -0.02 0.46 -0.00 0.74 -0.34 0.00 0.00 178.44 179.27 1jpk h THR 141 N 0.77 1.26 -0.75 1.05 2.02 -0.56 -0.27 112.91 116.42 1jpk h THR 141 Ca 0.23 -1.12 -0.06 0.00 0.77 0.00 0.00 66.41 66.23 1jpk h THR 141 Cb -0.05 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1jpk h THR 141 CO -0.07 0.40 0.23 -0.09 0.37 0.00 0.00 175.52 176.36 1jpk h ARG 142 N 0.90 1.17 -0.05 6.66 9.65 -0.42 0.98 114.38 133.27 1jpk h ARG 142 Ca 0.16 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 1jpk h ARG 142 Cb 0.53 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1jpk h ARG 142 CO 0.03 1.00 -0.00 1.96 2.80 0.00 0.00 179.97 185.75 1jpk h GLN 143 N 1.12 0.09 0.00 0.20 1.08 -0.79 -3.15 115.11 113.66 1jpk h GLN 143 Ca 0.24 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.34 1jpk h GLN 143 Cb 0.32 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1jpk h GLN 143 CO -0.01 0.39 -0.34 0.00 -0.95 0.00 0.00 178.83 177.93 1jpk h ARG 144 N -0.23 0.00 0.00 1.46 2.47 -0.90 -2.32 114.38 114.87 1jpk h ARG 144 Ca 0.01 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 1jpk h ARG 144 Cb 0.36 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 1jpk h ARG 144 CO 0.00 0.34 -0.25 -0.07 0.56 0.00 0.00 179.97 180.55 1jpk h LEU 145 N 0.00 0.00 1.01 3.04 3.38 -0.80 -3.47 115.31 118.47 1jpk h LEU 145 Ca -0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.57 1jpk h LEU 145 Cb 0.65 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.41 1jpk h LEU 145 CO 0.04 0.25 -0.58 0.00 0.09 0.00 0.00 178.44 178.25 1jpk n ALA 146 N -2.37 -0.98 -1.17 1.53 0.00 -0.87 -1.85 120.51 114.79 1jpk n ALA 146 Ca -0.02 0.22 -0.06 0.00 0.00 0.00 0.00 53.44 53.59 1jpk n ALA 146 Cb 0.34 -3.44 -0.03 0.00 0.00 0.00 0.00 19.45 16.33 1jpk n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jpk n GLY 147 N -1.38 0.82 0.48 0.00 0.00 -1.26 -4.81 105.19 99.04 1jpk n GLY 147 Ca -0.09 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 1jpk n GLY 147 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jpk h ARG 148 N 0.16 -1.04 -4.54 1.61 2.43 -1.68 0.40 114.38 111.72 1jpk h ARG 148 Ca -0.12 0.07 -0.22 0.00 -0.81 0.00 0.00 59.98 58.90 1jpk h ARG 148 Cb 0.49 0.24 -0.15 0.00 -0.42 0.00 0.00 29.97 30.13 1jpk h ARG 148 CO 0.18 -0.70 -0.63 0.14 -1.51 0.00 0.00 179.97 177.45 1jpk s VAL 149 N -5.96 0.09 0.72 0.20 -7.23 -1.26 -2.50 120.40 104.45 1jpk s VAL 149 Ca -0.18 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 57.89 1jpk s VAL 149 Cb 0.04 -2.30 0.03 0.00 0.56 0.00 0.00 36.38 34.71 1jpk s VAL 149 CO 0.61 -0.21 1.11 -2.84 -0.31 0.00 0.00 175.10 173.45 1jpk s PRO 150 N -4.10 2.50 -0.21 4.82 0.02 -1.26 -4.80 135.00 131.97 1jpk s PRO 150 Ca 0.32 1.31 -0.04 0.00 0.02 0.00 0.00 61.00 62.61 1jpk s PRO 150 Cb 0.07 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.66 1jpk s PRO 150 CO 0.07 -1.48 -0.04 -1.17 -0.33 0.00 0.00 177.00 174.06 1jpk s LEU 151 N -5.37 2.94 -0.16 -5.54 2.96 -1.26 -1.07 118.68 111.18 1jpk s LEU 151 Ca 0.65 -0.36 -0.15 0.00 -0.22 0.00 0.00 54.13 54.05 1jpk s LEU 151 Cb -0.19 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1jpk s LEU 151 CO 0.48 0.01 0.34 -0.63 -1.32 0.00 0.00 176.35 175.23 1jpk s ILE 152 N 1.32 5.27 0.33 6.68 -1.09 0.19 0.07 121.20 133.98 1jpk s ILE 152 Ca 0.04 0.65 0.07 0.00 -2.23 0.00 0.00 60.65 59.17 1jpk s ILE 152 Cb -0.14 -3.68 -0.01 0.00 -1.58 0.00 0.00 42.46 37.04 1jpk s ILE 152 CO -0.02 0.36 0.46 -0.83 -1.23 0.00 0.00 174.94 173.68 1jpk s GLY 153 N 0.58 1.60 0.34 6.18 0.00 0.24 -0.90 107.32 115.36 1jpk s GLY 153 Ca 0.19 -1.47 -0.17 0.00 0.00 0.00 0.00 44.72 43.26 1jpk s GLY 153 CO 0.06 -1.38 0.74 -0.11 0.00 0.00 0.00 173.10 172.40 1jpk s PHE 154 N -2.18 0.02 0.03 1.90 -0.12 -1.26 -1.36 117.98 115.02 1jpk s PHE 154 Ca 0.45 -0.59 -0.28 0.00 -0.05 0.00 0.00 56.93 56.46 1jpk s PHE 154 Cb -0.09 0.74 0.09 0.00 -0.63 0.00 0.00 43.02 43.13 1jpk s PHE 154 CO 0.31 -1.40 1.00 0.00 -0.05 0.00 0.00 175.22 175.08 1jpk s ALA 155 N -3.06 -1.84 0.16 1.99 0.00 -1.03 -4.96 121.76 113.01 1jpk s ALA 155 Ca 0.14 0.71 -0.06 0.00 0.00 0.00 0.00 51.96 52.76 1jpk s ALA 155 Cb -0.05 0.43 -0.06 0.00 0.00 0.00 0.00 23.12 23.44 1jpk s ALA 155 CO 0.10 -0.86 0.40 -0.51 0.00 0.00 0.00 175.76 174.89 1jpk s ASP 156 N -2.68 6.51 0.68 0.00 1.01 -1.26 -1.28 116.67 119.65 1jpk s ASP 156 Ca 0.09 0.64 -0.14 0.00 0.71 0.00 0.00 52.55 53.86 1jpk s ASP 156 Cb -0.00 -2.11 0.01 0.00 1.01 0.00 0.00 42.92 41.82 1jpk s ASP 156 CO -0.04 0.03 1.10 0.00 0.21 0.00 0.00 175.17 176.47 1jpk s ALA 157 N -1.69 2.46 0.22 5.23 0.00 0.11 -4.77 121.76 123.33 1jpk s ALA 157 Ca 0.42 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.70 1jpk s ALA 157 Cb -0.12 -3.29 0.31 0.00 0.00 0.00 0.00 23.12 20.02 1jpk s ALA 157 CO 0.24 -1.34 1.63 -1.35 0.00 0.00 0.00 175.76 174.94 1jpk h PRO 158 N -0.26 0.04 -0.03 0.00 0.11 -1.91 -0.79 132.00 129.17 1jpk h PRO 158 Ca -0.46 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jpk h PRO 158 Cb 1.24 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jpk h PRO 158 CO 0.54 0.03 0.02 2.35 -0.21 0.00 0.00 178.00 180.72 1jpk h TRP 159 N 0.04 0.05 -0.80 0.65 2.91 -1.90 -0.17 115.95 116.72 1jpk h TRP 159 Ca 0.34 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.39 1jpk h TRP 159 Cb 0.55 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 29.14 1jpk h TRP 159 CO -0.49 0.13 0.53 1.15 -1.03 0.00 0.00 178.44 178.73 1jpk h THR 160 N -0.05 1.16 -0.27 2.65 2.02 -1.76 -0.35 112.91 116.30 1jpk h THR 160 Ca 0.01 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.71 1jpk h THR 160 Cb 0.10 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1jpk h THR 160 CO -0.00 0.19 -0.37 -0.07 0.37 0.00 0.00 175.52 175.63 1jpk h LEU 161 N 1.02 0.65 -0.89 2.58 3.38 -0.94 -2.73 115.31 118.39 1jpk h LEU 161 Ca 0.31 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1jpk h LEU 161 Cb -0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1jpk h LEU 161 CO -0.08 0.96 0.29 -0.03 0.09 0.00 0.00 178.44 179.66 1jpk h MET 162 N 0.51 1.10 -0.61 1.13 4.05 0.10 -2.10 114.93 119.11 1jpk h MET 162 Ca 0.05 -0.20 -0.03 0.00 -0.28 0.00 0.00 59.70 59.24 1jpk h MET 162 Cb 0.88 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.47 1jpk h MET 162 CO 0.08 0.90 0.25 1.79 0.23 0.00 0.00 176.91 180.15 1jpk h THR 163 N 1.07 1.21 -0.35 -0.77 1.35 -0.81 -0.80 112.91 113.82 1jpk h THR 163 Ca 0.25 -0.66 -0.15 0.00 -0.55 0.00 0.00 66.41 65.30 1jpk h THR 163 Cb 0.22 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 1jpk h THR 163 CO -0.02 0.26 -0.37 1.88 -0.25 0.00 0.00 175.52 177.03 1jpk h TYR 164 N 0.87 0.96 -0.10 4.73 -1.99 -1.26 0.20 116.97 120.38 1jpk h TYR 164 Ca 0.21 -0.27 -0.15 0.00 2.00 0.00 0.00 58.73 60.52 1jpk h TYR 164 Cb 0.16 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 1jpk h TYR 164 CO 0.01 1.05 -0.58 0.52 -0.00 0.00 0.00 178.16 179.16 1jpk h MET 165 N 0.67 0.33 0.12 4.88 2.86 -0.97 0.21 114.93 123.02 1jpk h MET 165 Ca 0.06 -0.22 -0.35 0.00 -2.06 0.00 0.00 59.70 57.14 1jpk h MET 165 Cb 0.92 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 1jpk h MET 165 CO 0.08 0.81 -1.90 0.28 1.06 0.00 0.00 176.91 177.25 1jpk h VAL 166 N 0.25 0.67 -0.01 -2.22 2.07 -1.15 -0.18 116.25 115.68 1jpk h VAL 166 Ca -0.00 -2.33 -0.18 0.00 0.82 0.00 0.00 66.70 65.01 1jpk h VAL 166 Cb 1.08 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 1jpk h VAL 166 CO 0.09 0.84 -0.79 -0.33 0.02 0.00 0.00 177.57 177.40 1jpk h GLU 167 N -0.05 0.14 0.00 1.57 4.39 -1.06 -3.40 114.58 116.18 1jpk h GLU 167 Ca -0.41 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1jpk h GLU 167 Cb 1.96 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.64 1jpk h GLU 167 CO 0.06 0.86 0.00 0.41 -1.16 0.00 0.00 179.01 179.18 1jpk n GLY 168 N 0.70 1.26 0.00 -3.84 0.00 0.06 -4.87 105.19 98.49 1jpk n GLY 168 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1jpk n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jpk n GLY 169 N -2.00 -0.80 3.88 -0.02 0.00 -1.20 -0.45 105.19 104.60 1jpk n GLY 169 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1jpk n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jpk s GLY 170 N 0.00 1.63 -0.06 -0.02 0.00 -1.26 -4.58 107.32 103.04 1jpk s GLY 170 Ca 0.00 -0.22 -0.31 0.00 0.00 0.00 0.00 44.72 44.19 1jpk s GLY 170 CO 0.00 0.06 0.70 -0.45 0.00 0.00 0.00 173.10 173.41 1jpk s SER 171 N -4.23 -0.65 0.01 1.64 0.15 -1.26 -5.04 113.70 104.32 1jpk s SER 171 Ca 0.55 0.73 0.25 0.00 0.70 0.00 0.00 55.95 58.18 1jpk s SER 171 Cb -0.11 0.56 0.55 0.00 -1.71 0.00 0.00 66.02 65.31 1jpk s SER 171 CO 0.52 -0.59 1.45 -1.54 1.20 0.00 0.00 173.24 174.28 1jpk n SER 172 N 0.95 0.47 0.00 5.45 3.41 -1.26 -4.41 113.62 118.23 1jpk n SER 172 Ca -0.18 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 1jpk n SER 172 Cb 0.57 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 1jpk n SER 172 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jpk n THR 173 N -1.54 0.00 -2.45 6.66 -2.24 -1.26 -5.01 114.28 108.43 1jpk n THR 173 Ca 0.05 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.65 1jpk n THR 173 Cb 0.34 0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 1jpk n THR 173 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1jpk n MET 174 N -1.03 -2.02 -0.17 -0.78 0.00 -1.26 -4.87 117.12 106.98 1jpk n MET 174 Ca 0.00 0.87 0.06 0.00 0.00 0.00 0.00 57.70 58.63 1jpk n MET 174 Cb 0.05 -5.53 0.36 0.00 0.00 0.00 0.00 33.22 28.10 1jpk n MET 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1jpk h ALA 175 N 1.00 1.70 -0.16 3.04 0.00 -1.96 0.24 119.26 123.12 1jpk h ALA 175 Ca -0.43 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 1jpk h ALA 175 Cb 1.32 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1jpk h ALA 175 CO 0.51 0.19 -0.53 1.96 0.00 0.00 0.00 179.25 181.38 1jpk h GLN 176 N 0.74 0.64 -0.29 0.00 1.08 -1.95 -0.67 115.11 114.67 1jpk h GLN 176 Ca 0.30 -0.48 -0.08 0.00 -1.45 0.00 0.00 58.65 56.95 1jpk h GLN 176 Cb 0.23 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1jpk h GLN 176 CO -0.10 1.10 -0.11 0.00 -0.95 0.00 0.00 178.83 178.77 1jpk h ALA 177 N 0.55 0.40 0.00 3.87 0.00 -1.79 -2.66 119.26 119.64 1jpk h ALA 177 Ca -0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1jpk h ALA 177 Cb 1.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1jpk h ALA 177 CO 0.11 0.26 -0.37 0.87 0.00 0.00 0.00 179.25 180.13 1jpk h LYS 178 N 0.34 0.00 -0.15 0.00 1.57 -0.58 -1.63 116.57 116.11 1jpk h LYS 178 Ca 0.07 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1jpk h LYS 178 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1jpk h LYS 178 CO 0.04 0.37 -0.28 -0.09 -0.57 0.00 0.00 179.45 178.91 1jpk h ARG 179 N 0.00 0.28 -0.54 3.15 2.43 -0.96 -1.92 114.38 116.82 1jpk h ARG 179 Ca -0.00 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 1jpk h ARG 179 Cb 0.70 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1jpk h ARG 179 CO 0.05 0.55 0.17 -1.49 -1.51 0.00 0.00 179.97 177.74 1jpk h TRP 180 N 0.25 0.87 -0.55 2.20 4.06 -0.95 0.18 115.95 122.02 1jpk h TRP 180 Ca 0.04 -0.09 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 1jpk h TRP 180 Cb 0.64 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 28.52 1jpk h TRP 180 CO 0.01 0.74 0.31 -0.07 -3.56 0.00 0.00 178.44 175.87 1jpk h LEU 181 N 0.75 0.68 0.14 -4.49 3.38 -1.02 0.38 115.31 115.13 1jpk h LEU 181 Ca 0.18 -0.08 -0.30 0.00 0.09 0.00 0.00 57.88 57.76 1jpk h LEU 181 Cb 0.28 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.88 1jpk h LEU 181 CO -0.01 0.56 -1.30 1.88 0.09 0.00 0.00 178.44 179.67 1jpk h TYR 182 N 0.73 0.78 0.03 1.13 -1.99 -1.26 -3.23 116.97 113.16 1jpk h TYR 182 Ca 0.19 -0.54 -0.33 0.00 2.00 0.00 0.00 58.73 60.05 1jpk h TYR 182 Cb 0.03 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 38.67 1jpk h TYR 182 CO -0.02 1.41 -2.00 1.04 -0.00 0.00 0.00 178.16 178.59 1jpk n GLN 183 N -3.67 0.67 -2.86 4.88 6.02 0.63 -4.59 117.38 118.46 1jpk n GLN 183 Ca -0.12 0.21 -0.24 0.00 -0.01 0.00 0.00 57.00 56.83 1jpk n GLN 183 Cb 1.03 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 30.58 1jpk n GLN 183 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1jpk n ARG 184 N -3.09 2.79 -0.36 -1.09 1.74 0.13 -4.92 116.66 111.86 1jpk n ARG 184 Ca -0.27 -4.45 0.07 0.00 -0.77 0.00 0.00 57.85 52.44 1jpk n ARG 184 Cb 1.07 -2.09 0.24 0.00 -1.02 0.00 0.00 32.46 30.66 1jpk n ARG 184 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1jpk h PRO 185 N 2.90 0.96 0.12 5.56 0.13 -1.55 -0.20 132.00 139.91 1jpk h PRO 185 Ca 0.15 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1jpk h PRO 185 Cb 0.71 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1jpk h PRO 185 CO 0.75 0.63 -0.06 1.96 -0.23 0.00 0.00 178.00 181.06 1jpk h GLN 186 N 0.99 -0.16 -0.40 0.86 4.20 -1.90 -1.44 115.11 117.26 1jpk h GLN 186 Ca 0.50 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.20 1jpk h GLN 186 Cb 0.50 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1jpk h GLN 186 CO -0.26 0.04 0.16 0.00 -0.67 0.00 0.00 178.83 178.10 1jpk h ALA 187 N 0.52 1.53 -0.25 3.87 0.00 -1.86 -0.84 119.26 122.24 1jpk h ALA 187 Ca -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1jpk h ALA 187 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1jpk h ALA 187 CO 0.03 0.37 0.03 0.77 0.00 0.00 0.00 179.25 180.44 1jpk h SER 188 N 0.56 0.42 -0.36 0.00 0.02 -0.86 -0.99 113.55 112.34 1jpk h SER 188 Ca 0.14 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.75 1jpk h SER 188 Cb 0.12 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1jpk h SER 188 CO -0.01 0.59 0.05 0.45 -1.14 0.00 0.00 176.83 176.76 1jpk h HIS 189 N 0.23 0.73 -0.12 3.45 -0.00 -0.77 0.22 115.15 118.89 1jpk h HIS 189 Ca 0.07 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1jpk h HIS 189 Cb 0.36 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.56 1jpk h HIS 189 CO 0.03 0.66 0.05 0.37 -0.00 0.00 0.00 177.93 179.03 1jpk h GLN 190 N 0.67 0.17 -0.51 2.45 4.15 -0.92 -1.03 115.11 120.09 1jpk h GLN 190 Ca 0.14 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 1jpk h GLN 190 Cb 0.35 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 1jpk h GLN 190 CO 0.01 0.28 0.21 1.25 -1.93 0.00 0.00 178.83 178.65 1jpk h LEU 191 N 0.03 0.71 -1.46 -2.39 5.85 -0.88 -1.38 115.31 115.79 1jpk h LEU 191 Ca 0.04 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1jpk h LEU 191 Cb 0.17 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1jpk h LEU 191 CO -0.00 0.68 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.65 1jpk h LEU 192 N 0.69 0.27 -0.15 2.25 3.38 -0.86 -0.95 115.31 119.94 1jpk h LEU 192 Ca 0.17 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 1jpk h LEU 192 Cb 0.19 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1jpk h LEU 192 CO -0.01 0.36 -0.62 -0.09 0.09 0.00 0.00 178.44 178.17 1jpk h ARG 193 N 0.28 0.69 -0.65 1.13 9.65 -0.81 -1.89 114.38 122.78 1jpk h ARG 193 Ca 0.06 -0.54 0.01 0.00 -1.10 0.00 0.00 59.98 58.42 1jpk h ARG 193 Cb 0.28 0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.93 1jpk h ARG 193 CO 0.01 1.15 0.42 0.82 2.80 0.00 0.00 179.97 185.18 1jpk h ILE 194 N 0.38 1.14 -0.59 1.20 2.04 -0.79 -0.38 117.51 120.50 1jpk h ILE 194 Ca -0.03 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 1jpk h ILE 194 Cb 1.25 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1jpk h ILE 194 CO 0.13 0.15 0.11 -0.07 0.00 0.00 0.00 178.15 178.48 1jpk h LEU 195 N 0.85 0.88 -0.27 1.44 3.38 -1.16 -2.45 115.31 117.97 1jpk h LEU 195 Ca 0.25 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1jpk h LEU 195 Cb -0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1jpk h LEU 195 CO -0.07 0.87 -0.09 0.74 0.09 0.00 0.00 178.44 179.98 1jpk h THR 196 N 0.88 1.29 0.00 0.22 2.02 -0.67 -0.96 112.91 115.69 1jpk h THR 196 Ca 0.19 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1jpk h THR 196 Cb 0.36 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1jpk h THR 196 CO 0.00 0.36 0.00 0.47 0.37 0.00 0.00 175.52 176.72 1jpk n ASP 197 N -4.49 0.65 -0.07 4.18 8.00 -0.22 -1.87 116.55 122.74 1jpk n ASP 197 Ca -0.04 0.70 -0.17 0.00 0.71 0.00 0.00 54.79 56.00 1jpk n ASP 197 Cb 0.33 -0.83 -0.13 0.00 -0.02 0.00 0.00 41.12 40.47 1jpk n ASP 197 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jpk n ALA 198 N -1.78 1.25 -0.16 2.24 0.00 -0.94 -4.40 120.51 116.72 1jpk n ALA 198 Ca 0.01 -0.91 -0.11 0.00 0.00 0.00 0.00 53.44 52.43 1jpk n ALA 198 Cb 0.17 -0.40 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 1jpk n ALA 198 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jpk h LEU 199 N 0.03 0.84 0.37 0.00 3.38 -0.77 -2.76 115.31 116.39 1jpk h LEU 199 Ca -0.49 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.14 1jpk h LEU 199 Cb 2.00 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.49 1jpk h LEU 199 CO 0.01 0.98 -0.47 0.58 0.09 0.00 0.00 178.44 179.63 1jpk h VAL 200 N 0.68 0.07 0.00 1.22 2.07 -1.59 0.26 116.25 118.96 1jpk h VAL 200 Ca 0.12 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 1jpk h VAL 200 Cb 0.59 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1jpk h VAL 200 CO 0.04 0.00 -0.13 1.55 0.02 0.00 0.00 177.57 179.04 1jpk h PRO 201 N -0.88 0.00 -0.01 1.57 0.13 -1.77 0.38 132.00 131.42 1jpk h PRO 201 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1jpk h PRO 201 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1jpk h PRO 201 CO -0.12 0.13 -0.01 -0.92 -0.23 0.00 0.00 178.00 176.85 1jpk h TYR 202 N 0.00 0.04 -0.46 1.56 3.20 -1.12 -0.22 116.97 119.97 1jpk h TYR 202 Ca -0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 1jpk h TYR 202 Cb 0.25 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1jpk h TYR 202 CO 0.00 0.44 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.81 1jpk h LEU 203 N -0.37 0.79 -0.66 2.82 3.38 -0.12 -1.26 115.31 119.89 1jpk h LEU 203 Ca 0.00 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1jpk h LEU 203 Cb 0.43 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1jpk h LEU 203 CO 0.00 0.90 0.09 0.58 0.09 0.00 0.00 178.44 180.10 1jpk h VAL 204 N 0.73 1.26 -0.27 1.22 2.07 -0.91 -2.49 116.25 117.87 1jpk h VAL 204 Ca 0.13 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 1jpk h VAL 204 Cb 0.55 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1jpk h VAL 204 CO 0.03 0.40 -0.05 1.23 0.02 0.00 0.00 177.57 179.20 1jpk h GLY 205 N 1.02 0.45 1.46 2.17 0.00 -0.49 -1.19 103.07 106.49 1jpk h GLY 205 Ca 0.20 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 1jpk h GLY 205 CO 0.02 0.25 -0.19 1.46 0.00 0.00 0.00 176.54 178.07 1jpk h GLN 206 N 0.40 0.63 -0.19 4.80 4.20 -0.81 -1.27 115.11 122.87 1jpk h GLN 206 Ca 0.08 -0.23 -0.16 0.00 0.06 0.00 0.00 58.65 58.40 1jpk h GLN 206 Cb 0.35 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1jpk h GLN 206 CO 0.02 0.79 -0.52 0.28 -0.67 0.00 0.00 178.83 178.73 1jpk h VAL 207 N 0.56 1.32 -0.28 -0.54 2.07 -1.03 0.64 116.25 118.99 1jpk h VAL 207 Ca 0.09 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1jpk h VAL 207 Cb 0.65 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1jpk h VAL 207 CO 0.05 0.55 0.18 0.58 0.02 0.00 0.00 177.57 178.95 1jpk h VAL 208 N 0.38 1.07 -0.00 2.57 2.07 -1.08 0.01 116.25 121.27 1jpk h VAL 208 Ca -0.01 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1jpk h VAL 208 Cb 1.14 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1jpk h VAL 208 CO 0.11 0.07 -0.06 0.00 0.02 0.00 0.00 177.57 177.72 1jpk n ALA 209 N -2.50 2.54 0.00 1.67 0.00 -0.49 -4.90 120.51 116.82 1jpk n ALA 209 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1jpk n ALA 209 Cb 0.07 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1jpk n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jpk n GLY 210 N 1.41 0.45 3.73 0.00 0.00 -0.01 -2.70 105.19 108.06 1jpk n GLY 210 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1jpk n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jpk s ALA 211 N -1.43 3.58 -2.65 4.61 0.00 0.19 -4.80 121.76 121.25 1jpk s ALA 211 Ca 0.00 1.16 0.22 0.00 0.00 0.00 0.00 51.96 53.34 1jpk s ALA 211 Cb 0.00 -3.52 0.21 0.00 0.00 0.00 0.00 23.12 19.81 1jpk s ALA 211 CO 0.00 -0.61 1.22 1.04 0.00 0.00 0.00 175.76 177.41 1jpk n GLN 212 N 3.02 2.09 -3.56 0.00 6.02 0.11 -4.48 117.38 120.58 1jpk n GLN 212 Ca 0.08 -1.87 -0.09 0.00 -0.01 0.00 0.00 57.00 55.12 1jpk n GLN 212 Cb 0.42 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 30.23 1jpk n GLN 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jpk s ALA 213 N -1.75 -1.64 -0.01 -1.58 0.00 -1.18 -4.19 121.76 111.41 1jpk s ALA 213 Ca 0.27 0.52 -0.00 0.00 0.00 0.00 0.00 51.96 52.75 1jpk s ALA 213 Cb 0.19 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.99 1jpk s ALA 213 CO 0.28 -0.82 0.01 -0.51 0.00 0.00 0.00 175.76 174.72 1jpk s LEU 214 N -2.70 1.68 -0.09 0.00 1.43 -0.72 -0.59 118.68 117.70 1jpk s LEU 214 Ca 0.05 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1jpk s LEU 214 Cb -0.02 -0.01 0.00 0.00 0.03 0.00 0.00 46.19 46.20 1jpk s LEU 214 CO -0.07 -0.04 -0.20 -1.58 0.23 0.00 0.00 176.35 174.69 1jpk s GLN 215 N 0.36 2.56 -0.24 1.70 0.74 -0.46 -0.26 119.66 124.06 1jpk s GLN 215 Ca -0.03 -0.71 -0.08 0.00 0.05 0.00 0.00 55.36 54.59 1jpk s GLN 215 Cb -0.04 -1.98 -0.03 0.00 1.10 0.00 0.00 33.01 32.06 1jpk s GLN 215 CO -0.01 0.12 0.08 -1.17 -0.55 0.00 0.00 175.29 173.77 1jpk s LEU 216 N 0.46 3.56 -0.35 3.68 2.96 0.68 -2.47 118.68 127.21 1jpk s LEU 216 Ca -0.17 -0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 53.43 1jpk s LEU 216 Cb -0.17 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 1jpk s LEU 216 CO 0.07 -0.01 0.40 -0.36 -1.32 0.00 0.00 176.35 175.13 1jpk s PHE 217 N 1.46 3.20 -0.89 5.38 0.40 -0.41 -1.44 117.98 125.69 1jpk s PHE 217 Ca 0.06 -0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.39 1jpk s PHE 217 Cb -0.15 -2.74 0.30 0.00 0.51 0.00 0.00 43.02 40.94 1jpk s PHE 217 CO 0.04 -0.47 1.27 -1.91 0.70 0.00 0.00 175.22 174.85 1jpk n GLU 218 N 5.47 3.96 0.18 0.44 4.07 0.19 0.04 120.64 134.99 1jpk n GLU 218 Ca -0.08 -4.65 0.09 0.00 -0.06 0.00 0.00 57.16 52.46 1jpk n GLU 218 Cb 0.49 -2.40 0.62 0.00 -0.06 0.00 0.00 31.44 30.09 1jpk n GLU 218 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1jpk h SER 219 N 4.57 0.07 -0.83 4.31 0.02 -1.89 -2.23 113.55 117.56 1jpk h SER 219 Ca 0.25 -0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.64 1jpk h SER 219 Cb 0.56 -0.02 -0.31 0.00 0.14 0.00 0.00 62.40 62.77 1jpk h SER 219 CO 1.11 0.05 0.18 1.41 -1.14 0.00 0.00 176.83 178.44 1jpk n HIS 220 N -4.51 2.78 -0.09 3.45 8.25 -1.26 -4.46 115.22 119.38 1jpk n HIS 220 Ca 0.00 -2.49 -0.14 0.00 -0.26 0.00 0.00 57.72 54.83 1jpk n HIS 220 Cb 0.17 -0.93 -0.04 0.00 1.12 0.00 0.00 29.99 30.31 1jpk n HIS 220 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jpk h ALA 221 N 1.85 0.43 -0.02 -1.41 0.00 -1.56 -3.28 119.26 115.27 1jpk h ALA 221 Ca 0.48 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jpk h ALA 221 Cb 1.32 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1jpk h ALA 221 CO 1.13 0.51 0.22 0.78 0.00 0.00 0.00 179.25 181.88 1jpk h GLY 222 N 0.50 0.00 2.00 0.00 0.00 -1.42 -1.79 103.07 102.36 1jpk h GLY 222 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1jpk h GLY 222 CO 0.09 0.00 -0.27 0.45 0.00 0.00 0.00 176.54 176.80 1jpk h HIS 223 N 0.00 0.00 -3.17 5.60 3.86 -1.87 -3.44 115.15 116.12 1jpk h HIS 223 Ca 0.01 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 1jpk h HIS 223 Cb 0.44 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1jpk h HIS 223 CO 0.00 0.27 -0.17 -0.51 0.86 0.00 0.00 177.93 178.39 1jpk s LEU 224 N -6.68 4.09 0.00 2.43 1.43 -0.68 -5.05 118.68 114.22 1jpk s LEU 224 Ca 0.02 0.68 0.08 0.00 -1.03 0.00 0.00 54.13 53.88 1jpk s LEU 224 Cb 0.09 -3.49 0.10 0.00 0.03 0.00 0.00 46.19 42.92 1jpk s LEU 224 CO 0.66 -0.16 0.77 0.61 0.23 0.00 0.00 176.35 178.46 1jpk n GLY 225 N -0.83 1.79 0.32 -3.19 0.00 -1.26 -4.86 105.19 97.17 1jpk n GLY 225 Ca -0.02 -2.19 -0.08 0.00 0.00 0.00 0.00 46.02 43.72 1jpk n GLY 225 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jpk h PRO 226 N 0.00 -0.27 0.09 1.61 0.11 -1.97 -1.55 132.00 130.02 1jpk h PRO 226 Ca -0.26 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.89 1jpk h PRO 226 Cb 1.15 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1jpk h PRO 226 CO 0.36 -0.18 -0.24 1.96 -0.21 0.00 0.00 178.00 179.69 1jpk h GLN 227 N -0.28 -0.41 -0.56 1.05 4.20 -1.99 -0.80 115.11 116.33 1jpk h GLN 227 Ca 0.15 0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 1jpk h GLN 227 Cb 0.53 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1jpk h GLN 227 CO -0.47 -0.27 0.08 -0.07 -0.67 0.00 0.00 178.83 177.43 1jpk h LEU 228 N -0.42 0.86 -0.28 1.46 3.38 -1.93 -2.14 115.31 116.24 1jpk h LEU 228 Ca 0.04 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1jpk h LEU 228 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1jpk h LEU 228 CO -0.15 0.87 0.18 0.15 0.09 0.00 0.00 178.44 179.58 1jpk h PHE 229 N 0.85 0.36 0.00 1.13 3.57 -1.00 0.25 116.94 122.10 1jpk h PHE 229 Ca 0.17 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1jpk h PHE 229 Cb 0.39 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1jpk h PHE 229 CO 0.02 0.24 -0.25 -0.91 -2.23 0.00 0.00 178.31 175.19 1jpk h ASN 230 N 0.36 0.00 0.11 0.41 2.35 -1.02 0.23 115.58 118.02 1jpk h ASN 230 Ca 0.10 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.65 1jpk h ASN 230 Cb -0.02 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.36 1jpk h ASN 230 CO -0.02 0.25 -0.98 0.50 -1.65 0.00 0.00 177.43 175.53 1jpk h LYS 231 N 0.00 0.24 0.00 0.81 3.64 -0.73 -3.38 116.57 117.15 1jpk h LYS 231 Ca -0.00 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1jpk h LYS 231 Cb 0.57 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1jpk h LYS 231 CO 0.03 1.20 -1.11 1.19 -2.27 0.00 0.00 179.45 178.49 1jpk n PHE 232 N -4.11 0.00 -0.09 1.91 3.01 0.82 -4.74 117.46 114.25 1jpk n PHE 232 Ca -0.18 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.09 1jpk n PHE 232 Cb 0.82 -0.12 -0.06 0.00 -0.01 0.00 0.00 39.48 40.10 1jpk n PHE 232 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jpk n ALA 233 N -1.62 1.74 -0.13 4.37 0.00 -0.14 -4.69 120.51 120.04 1jpk n ALA 233 Ca -0.01 -0.74 -0.04 0.00 0.00 0.00 0.00 53.44 52.65 1jpk n ALA 233 Cb 0.16 0.24 0.04 0.00 0.00 0.00 0.00 19.45 19.88 1jpk n ALA 233 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jpk h LEU 234 N -0.69 0.10 -0.82 0.00 5.85 -0.86 -1.54 115.31 117.36 1jpk h LEU 234 Ca -0.44 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.44 1jpk h LEU 234 Cb 1.35 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.36 1jpk h LEU 234 CO -0.26 0.09 0.46 -0.65 -0.34 0.00 0.00 178.44 177.73 1jpk h PRO 235 N 0.28 0.73 0.00 5.25 0.11 -1.82 -0.21 132.00 136.35 1jpk h PRO 235 Ca 0.21 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.10 1jpk h PRO 235 Cb 0.22 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1jpk h PRO 235 CO -0.23 0.49 -0.83 1.88 -0.21 0.00 0.00 178.00 179.09 1jpk h TYR 236 N 0.76 0.01 -0.39 0.65 -1.99 -1.78 -0.50 116.97 113.72 1jpk h TYR 236 Ca 0.40 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 61.05 1jpk h TYR 236 Cb 0.39 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.10 1jpk h TYR 236 CO -0.07 0.84 -0.08 0.82 -0.00 0.00 0.00 178.16 179.67 1jpk h ILE 237 N 0.00 1.24 -0.09 -2.88 2.04 -0.47 -1.79 117.51 115.57 1jpk h ILE 237 Ca -0.01 -1.05 -0.07 0.00 1.00 0.00 0.00 64.86 64.73 1jpk h ILE 237 Cb 1.48 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1jpk h ILE 237 CO 0.11 0.36 -0.23 0.03 0.00 0.00 0.00 178.15 178.42 1jpk h ARG 238 N 0.61 0.31 -0.95 2.37 3.08 -0.85 -3.24 114.38 115.71 1jpk h ARG 238 Ca 0.11 -0.22 0.08 0.00 0.07 0.00 0.00 59.98 60.03 1jpk h ARG 238 Cb 0.50 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 1jpk h ARG 238 CO 0.03 0.83 0.61 -0.44 -1.07 0.00 0.00 179.97 179.93 1jpk h ASP 239 N -0.17 0.92 0.24 7.04 3.45 -0.92 -2.29 116.42 124.69 1jpk h ASP 239 Ca -0.00 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.46 1jpk h ASP 239 Cb 0.84 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 1jpk h ASP 239 CO 0.05 0.56 -0.12 0.58 -1.57 0.00 0.00 179.24 178.74 1jpk h VAL 240 N 1.02 0.78 -0.54 -1.35 2.07 -1.36 -0.63 116.25 116.25 1jpk h VAL 240 Ca 0.43 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.83 1jpk h VAL 240 Cb 0.31 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1jpk h VAL 240 CO -0.18 0.02 0.29 0.00 0.02 0.00 0.00 177.57 177.72 1jpk h ALA 241 N 0.38 0.69 0.26 1.67 0.00 -1.55 -0.49 119.26 120.21 1jpk h ALA 241 Ca -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1jpk h ALA 241 Cb 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jpk h ALA 241 CO 0.05 0.22 -0.12 -0.22 0.00 0.00 0.00 179.25 179.18 1jpk h LYS 242 N 0.72 -0.34 -0.25 0.00 3.64 -1.33 -1.90 116.57 117.12 1jpk h LYS 242 Ca 0.19 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1jpk h LYS 242 Cb 0.06 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1jpk h LYS 242 CO -0.03 -0.20 -0.24 1.96 -2.27 0.00 0.00 179.45 178.68 1jpk h GLN 243 N -0.39 0.47 -0.34 1.90 4.20 -1.03 -1.77 115.11 118.15 1jpk h GLN 243 Ca -0.04 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 1jpk h GLN 243 Cb 0.30 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1jpk h GLN 243 CO 0.06 0.68 -0.10 0.28 -0.67 0.00 0.00 178.83 179.07 1jpk h VAL 244 N 0.42 1.28 -0.41 -0.54 2.07 -1.00 -1.81 116.25 116.25 1jpk h VAL 244 Ca 0.06 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 1jpk h VAL 244 Cb 0.64 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1jpk h VAL 244 CO 0.05 0.39 0.17 0.11 0.02 0.00 0.00 177.57 178.30 1jpk h LYS 245 N 0.46 0.62 -0.39 1.57 1.57 -1.19 -1.75 116.57 117.45 1jpk h LYS 245 Ca 0.08 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1jpk h LYS 245 Cb 0.62 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1jpk h LYS 245 CO 0.04 0.57 0.21 0.00 -0.57 0.00 0.00 179.45 179.70 1jpk h ALA 246 N 1.01 0.50 -0.47 3.86 0.00 -1.26 -1.91 119.26 120.99 1jpk h ALA 246 Ca 0.14 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1jpk h ALA 246 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1jpk h ALA 246 CO -0.01 0.02 -0.07 0.00 0.00 0.00 0.00 179.25 179.19 1jpk h ARG 247 N 0.50 0.84 -0.58 0.00 3.08 -1.23 -1.36 114.38 115.64 1jpk h ARG 247 Ca 0.14 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1jpk h ARG 247 Cb 0.05 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1jpk h ARG 247 CO -0.02 0.89 0.22 -0.07 -1.07 0.00 0.00 179.97 179.92 1jpk h LEU 248 N 0.76 0.81 0.01 3.04 3.38 -1.12 -1.91 115.31 120.29 1jpk h LEU 248 Ca 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1jpk h LEU 248 Cb 0.57 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1jpk h LEU 248 CO 0.03 0.77 -0.01 0.03 0.09 0.00 0.00 178.44 179.36 1jpk h ARG 249 N 0.80 -0.01 -0.11 1.13 3.08 -1.12 -0.74 114.38 117.40 1jpk h ARG 249 Ca 0.19 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.27 1jpk h ARG 249 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1jpk h ARG 249 CO -0.01 0.14 0.13 0.93 -1.07 0.00 0.00 179.97 180.08 1jpk h GLU 250 N -0.16 0.00 -0.01 0.04 5.08 -1.13 0.80 114.58 119.19 1jpk h GLU 250 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jpk h GLU 250 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1jpk h GLU 250 CO 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 179.01 177.93 1jpk n ALA 251 N -2.34 2.74 -0.74 3.43 0.00 -0.73 -4.91 120.51 117.97 1jpk n ALA 251 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1jpk n ALA 251 Cb 0.23 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1jpk n ALA 251 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jpk n GLY 252 N 1.21 0.75 3.92 0.00 0.00 0.28 -5.05 105.19 106.30 1jpk n GLY 252 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1jpk n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jpk s LEU 253 N 0.00 4.05 -0.23 0.99 1.43 -0.32 -5.01 118.68 119.59 1jpk s LEU 253 Ca 0.00 0.59 -0.23 0.00 -1.03 0.00 0.00 54.13 53.46 1jpk s LEU 253 Cb 0.00 -3.43 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 1jpk s LEU 253 CO 0.00 -0.22 0.76 0.00 0.23 0.00 0.00 176.35 177.12 1jpk s ALA 254 N -2.16 3.61 0.64 4.21 0.00 -1.26 -3.88 121.76 122.92 1jpk s ALA 254 Ca 0.42 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 1jpk s ALA 254 Cb -0.10 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1jpk s ALA 254 CO 0.32 -0.81 0.81 -2.30 0.00 0.00 0.00 175.76 173.78 1jpk n PRO 255 N 5.70 0.63 -4.17 0.00 -0.02 -1.26 -5.00 135.00 130.88 1jpk n PRO 255 Ca 0.03 0.26 -0.24 0.00 -2.02 0.00 0.00 63.50 61.53 1jpk n PRO 255 Cb 0.48 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 1jpk n PRO 255 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1jpk s VAL 256 N -1.68 4.08 0.22 -1.45 -7.23 -1.26 -5.08 120.40 107.99 1jpk s VAL 256 Ca 0.73 -1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 59.17 1jpk s VAL 256 Cb -0.39 -3.13 -0.09 0.00 0.56 0.00 0.00 36.38 33.32 1jpk s VAL 256 CO 0.51 -0.24 1.38 -2.16 -0.31 0.00 0.00 175.10 174.28 1jpk s PRO 257 N -3.40 4.33 -0.09 4.82 0.04 -1.26 -4.83 135.00 134.60 1jpk s PRO 257 Ca 0.31 2.17 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 1jpk s PRO 257 Cb -0.08 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 1jpk s PRO 257 CO 0.22 -0.34 -0.07 -1.64 0.04 0.00 0.00 177.00 175.20 1jpk s MET 258 N -0.16 2.99 -0.11 4.56 -1.94 -1.26 -1.75 119.30 121.63 1jpk s MET 258 Ca 0.58 -0.56 0.01 0.00 -1.71 0.00 0.00 55.69 54.01 1jpk s MET 258 Cb -0.39 -2.65 -0.01 0.00 2.01 0.00 0.00 34.83 33.79 1jpk s MET 258 CO 0.40 0.53 -0.15 0.42 -0.01 0.00 0.00 175.02 176.21 1jpk s ILE 259 N -0.44 2.92 -0.19 2.53 1.09 0.64 -1.38 121.20 126.38 1jpk s ILE 259 Ca 0.06 -0.72 -0.03 0.00 -1.10 0.00 0.00 60.65 58.87 1jpk s ILE 259 Cb -0.12 -2.20 -0.01 0.00 -1.06 0.00 0.00 42.46 39.07 1jpk s ILE 259 CO 0.02 0.54 -0.08 -0.51 -0.10 0.00 0.00 174.94 174.81 1jpk s ILE 260 N 0.20 3.24 -0.23 2.92 -1.16 -0.79 -0.23 121.20 125.14 1jpk s ILE 260 Ca -0.09 -0.56 0.02 0.00 -0.51 0.00 0.00 60.65 59.52 1jpk s ILE 260 Cb -0.15 -2.44 0.05 0.00 0.61 0.00 0.00 42.46 40.53 1jpk s ILE 260 CO 0.05 0.46 -0.14 0.12 -2.81 0.00 0.00 174.94 172.63 1jpk s PHE 261 N 1.10 3.08 -0.47 3.50 5.36 -0.52 -0.62 117.98 129.42 1jpk s PHE 261 Ca 0.01 -2.09 -0.01 0.00 -0.96 0.00 0.00 56.93 53.87 1jpk s PHE 261 Cb -0.15 -1.91 0.13 0.00 -0.34 0.00 0.00 43.02 40.75 1jpk s PHE 261 CO -0.01 -0.85 0.26 0.00 -1.46 0.00 0.00 175.22 173.15 1jpk s ALA 262 N 1.17 3.26 0.18 11.12 0.00 -1.26 0.55 121.76 136.78 1jpk s ALA 262 Ca -0.04 -2.83 -0.31 0.00 0.00 0.00 0.00 51.96 48.77 1jpk s ALA 262 Cb -0.18 -2.39 -0.10 0.00 0.00 0.00 0.00 23.12 20.45 1jpk s ALA 262 CO -0.08 -1.90 1.58 0.21 0.00 0.00 0.00 175.76 175.58 1jpk s LYS 263 N 0.60 4.20 -1.48 0.00 2.20 -0.85 -1.67 119.74 122.75 1jpk s LYS 263 Ca 0.12 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.13 1jpk s LYS 263 Cb -0.22 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1jpk s LYS 263 CO -0.04 -0.61 0.00 -0.25 -0.36 0.00 0.00 175.35 174.09 1jpk n ASP 264 N 3.78 -4.80 -2.23 1.43 8.00 -1.26 -1.79 116.55 119.67 1jpk n ASP 264 Ca 0.13 0.14 -0.31 0.00 0.71 0.00 0.00 54.79 55.46 1jpk n ASP 264 Cb 0.38 -3.84 0.08 0.00 -0.02 0.00 0.00 41.12 37.72 1jpk n ASP 264 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jpk n GLY 265 N -1.02 5.84 0.36 0.44 0.00 -0.67 -3.64 105.19 106.50 1jpk n GLY 265 Ca -0.18 -2.25 0.12 0.00 0.00 0.00 0.00 46.02 43.72 1jpk n GLY 265 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1jpk h HIS 266 N 1.92 1.05 0.00 1.61 2.07 -1.91 -0.69 115.15 119.20 1jpk h HIS 266 Ca 0.56 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 58.11 1jpk h HIS 266 Cb 1.12 -0.32 0.00 0.00 2.57 0.00 0.00 27.41 30.78 1jpk h HIS 266 CO 1.33 0.27 0.00 1.97 -3.07 0.00 0.00 177.93 178.43 1jpk n PHE 267 N -4.72 0.11 0.11 6.12 1.16 -1.26 -2.99 117.46 115.98 1jpk n PHE 267 Ca 0.22 0.05 0.03 0.00 -1.87 0.00 0.00 57.45 55.88 1jpk n PHE 267 Cb 0.54 -0.58 0.05 0.00 -1.61 0.00 0.00 39.48 37.88 1jpk n PHE 267 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1jpk n ALA 268 N -1.54 2.33 -0.30 1.98 0.00 -0.27 -4.75 120.51 117.96 1jpk n ALA 268 Ca 0.03 -0.76 0.17 0.00 0.00 0.00 0.00 53.44 52.88 1jpk n ALA 268 Cb 0.15 -0.20 0.43 0.00 0.00 0.00 0.00 19.45 19.83 1jpk n ALA 268 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jpk h LEU 269 N 1.08 0.57 -0.18 0.00 3.38 -1.49 -0.06 115.31 118.61 1jpk h LEU 269 Ca 0.00 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1jpk h LEU 269 Cb 0.39 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1jpk h LEU 269 CO 0.00 0.20 -0.23 -0.08 0.09 0.00 0.00 178.44 178.42 1jpk h GLU 270 N 0.55 0.47 -0.51 1.13 4.81 -1.86 -2.52 114.58 116.67 1jpk h GLU 270 Ca 0.53 -0.27 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 1jpk h GLU 270 Cb 1.11 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1jpk h GLU 270 CO -0.27 0.85 0.07 0.93 -0.73 0.00 0.00 179.01 179.86 1jpk h GLU 271 N 0.12 0.84 -0.17 1.92 4.39 -1.65 -3.08 114.58 116.96 1jpk h GLU 271 Ca 0.02 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 1jpk h GLU 271 Cb 0.79 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1jpk h GLU 271 CO 0.05 0.84 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.63 1jpk h LEU 272 N 0.72 0.23 0.00 1.33 3.38 -1.04 -1.58 115.31 118.35 1jpk h LEU 272 Ca 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jpk h LEU 272 Cb 0.41 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1jpk h LEU 272 CO 0.01 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.86 1jpk n ALA 273 N -2.49 1.81 -0.85 1.53 0.00 -0.95 -2.00 120.51 117.56 1jpk n ALA 273 Ca -0.00 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.43 1jpk n ALA 273 Cb 0.21 -1.26 0.08 0.00 0.00 0.00 0.00 19.45 18.48 1jpk n ALA 273 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jpk n GLN 274 N -1.41 1.60 -0.08 0.00 6.02 -0.62 -4.71 117.38 118.18 1jpk n GLN 274 Ca 0.06 -2.03 0.11 0.00 -0.01 0.00 0.00 57.00 55.12 1jpk n GLN 274 Cb 0.16 -1.22 0.38 0.00 1.02 0.00 0.00 30.24 30.58 1jpk n GLN 274 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jpk n ALA 275 N -0.98 2.52 -0.42 -1.58 0.00 -0.85 -4.92 120.51 114.29 1jpk n ALA 275 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1jpk n ALA 275 Cb 0.53 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1jpk n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jpk n GLY 276 N 1.15 0.76 3.52 0.00 0.00 -1.26 -4.54 105.19 104.82 1jpk n GLY 276 Ca 0.16 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1jpk n GLY 276 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jpk s TYR 277 N -2.00 2.79 0.23 1.61 1.51 -1.26 -4.86 117.35 115.36 1jpk s TYR 277 Ca 0.00 -0.09 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 1jpk s TYR 277 Cb 0.00 -1.66 0.22 0.00 -0.11 0.00 0.00 41.96 40.42 1jpk s TYR 277 CO 0.00 0.24 1.55 0.93 -1.11 0.00 0.00 175.55 177.16 1jpk h GLU 278 N 5.29 0.33 -6.06 -0.62 3.07 -1.55 -3.45 114.58 111.59 1jpk h GLU 278 Ca -0.47 -0.21 -0.57 0.00 -0.50 0.00 0.00 59.36 57.60 1jpk h GLU 278 Cb 1.16 0.03 -0.25 0.00 -0.84 0.00 0.00 28.75 28.85 1jpk h GLU 278 CO 0.51 0.81 -0.84 0.08 -1.40 0.00 0.00 179.01 178.18 1jpk s VAL 279 N -3.84 1.64 -0.21 3.13 1.01 -0.78 -1.21 120.40 120.14 1jpk s VAL 279 Ca -0.05 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.69 1jpk s VAL 279 Cb 0.12 -1.44 0.05 0.00 0.00 0.00 0.00 36.38 35.10 1jpk s VAL 279 CO 0.81 0.15 -0.08 -0.69 0.00 0.00 0.00 175.10 175.29 1jpk s VAL 280 N -0.87 1.56 0.37 2.92 1.01 -0.08 -1.89 120.40 123.43 1jpk s VAL 280 Ca 0.07 -1.06 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 1jpk s VAL 280 Cb -0.09 -1.71 -0.10 0.00 0.00 0.00 0.00 36.38 34.48 1jpk s VAL 280 CO 0.02 0.07 0.98 -0.83 0.00 0.00 0.00 175.10 175.34 1jpk s GLY 281 N 1.41 2.69 0.07 4.51 0.00 0.21 -1.84 107.32 114.37 1jpk s GLY 281 Ca -0.03 0.55 0.08 0.00 0.00 0.00 0.00 44.72 45.33 1jpk s GLY 281 CO -0.07 0.95 -0.23 1.08 0.00 0.00 0.00 173.10 174.83 1jpk s LEU 282 N -2.49 2.21 0.70 0.66 1.43 -0.84 -4.27 118.68 116.09 1jpk s LEU 282 Ca 0.55 -0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1jpk s LEU 282 Cb -0.17 -1.06 0.07 0.00 0.03 0.00 0.00 46.19 45.06 1jpk s LEU 282 CO 0.22 0.17 1.00 1.51 0.23 0.00 0.00 176.35 179.48 1jpk s ASP 283 N -1.45 4.71 0.00 2.29 1.47 -1.26 -3.81 116.67 118.62 1jpk s ASP 283 Ca 0.09 0.30 0.19 0.00 1.18 0.00 0.00 52.55 54.31 1jpk s ASP 283 Cb -0.09 -0.91 0.94 0.00 -0.34 0.00 0.00 42.92 42.52 1jpk s ASP 283 CO 0.03 -1.65 1.58 -2.67 0.68 0.00 0.00 175.17 173.15 1jpk n TRP 284 N -2.90 0.00 0.61 2.11 2.14 -1.25 -3.30 117.44 114.85 1jpk n TRP 284 Ca 0.09 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.79 1jpk n TRP 284 Cb 0.60 -0.30 0.26 0.00 -0.81 0.00 0.00 31.31 31.06 1jpk n TRP 284 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1jpk n THR 285 N -1.30 0.43 -3.30 -1.67 -2.24 -1.26 -4.77 114.28 100.16 1jpk n THR 285 Ca 0.09 -0.27 -0.39 0.00 -2.27 0.00 0.00 64.05 61.21 1jpk n THR 285 Cb 0.16 -0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.02 1jpk n THR 285 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1jpk s VAL 286 N -3.14 5.13 0.18 2.28 1.01 -1.21 -5.04 120.40 119.62 1jpk s VAL 286 Ca 0.08 0.80 -0.31 0.00 0.00 0.00 0.00 61.98 62.55 1jpk s VAL 286 Cb 0.13 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 1jpk s VAL 286 CO 0.67 0.16 1.47 0.00 0.00 0.00 0.00 175.10 177.41 1jpk s ALA 287 N 1.83 3.67 0.20 5.51 0.00 -1.26 -4.88 121.76 126.84 1jpk s ALA 287 Ca 0.20 1.28 -0.19 0.00 0.00 0.00 0.00 51.96 53.25 1jpk s ALA 287 Cb -0.15 -3.57 0.17 0.00 0.00 0.00 0.00 23.12 19.56 1jpk s ALA 287 CO 0.09 -0.71 1.58 -1.35 0.00 0.00 0.00 175.76 175.37 1jpk h PRO 288 N 6.21 -0.11 -0.62 0.00 0.11 -1.95 -0.24 132.00 135.38 1jpk h PRO 288 Ca -0.44 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.71 1jpk h PRO 288 Cb 1.21 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1jpk h PRO 288 CO 0.85 -0.07 0.39 0.87 -0.21 0.00 0.00 178.00 179.83 1jpk h LYS 289 N -0.12 0.74 -0.47 1.05 1.57 -1.92 0.78 116.57 118.21 1jpk h LYS 289 Ca 0.27 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 1jpk h LYS 289 Cb 0.56 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1jpk h LYS 289 CO -0.74 0.49 -0.04 0.87 -0.57 0.00 0.00 179.45 179.46 1jpk h LYS 290 N 0.77 0.80 -0.80 3.15 1.57 -1.76 -1.28 116.57 119.02 1jpk h LYS 290 Ca 0.25 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1jpk h LYS 290 Cb 0.01 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1jpk h LYS 290 CO -0.10 0.83 0.32 0.00 -0.57 0.00 0.00 179.45 179.93 1jpk h ALA 291 N 1.21 1.05 -0.70 3.86 0.00 -0.27 -0.65 119.26 123.78 1jpk h ALA 291 Ca 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1jpk h ALA 291 Cb 0.51 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1jpk h ALA 291 CO 0.03 0.67 0.40 -0.09 0.00 0.00 0.00 179.25 180.25 1jpk h ARG 292 N 1.16 0.96 0.47 0.00 9.65 -0.13 0.03 114.38 126.53 1jpk h ARG 292 Ca 0.27 -0.10 -0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1jpk h ARG 292 Cb 0.22 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1jpk h ARG 292 CO -0.02 0.70 -0.24 0.93 2.80 0.00 0.00 179.97 184.14 1jpk h GLU 293 N 0.95 -0.63 -0.57 0.20 5.08 -0.71 0.34 114.58 119.23 1jpk h GLU 293 Ca 0.25 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.71 1jpk h GLU 293 Cb 0.01 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1jpk h GLU 293 CO -0.04 -0.42 0.28 0.00 -1.00 0.00 0.00 179.01 177.82 1jpk h VAL 295 N 0.52 1.56 0.00 0.00 -1.51 -0.97 -3.35 116.25 112.50 1jpk h VAL 295 Ca 0.26 -3.23 0.00 0.00 -1.23 0.00 0.00 66.70 62.50 1jpk h VAL 295 Cb 0.21 2.77 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 1jpk h VAL 295 CO -0.20 0.89 0.00 0.61 -1.23 0.00 0.00 177.57 177.64 1jpk n GLY 296 N 1.34 0.18 0.00 5.19 0.00 0.10 -4.65 105.19 107.35 1jpk n GLY 296 Ca -0.01 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1jpk n GLY 296 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jpk n LYS 297 N 0.00 0.73 -0.07 1.61 2.85 -1.26 -4.66 118.16 117.36 1jpk n LYS 297 Ca 0.00 -0.79 -0.06 0.00 -1.05 0.00 0.00 58.31 56.41 1jpk n LYS 297 Cb 0.00 -0.86 -0.02 0.00 -0.65 0.00 0.00 35.03 33.50 1jpk n LYS 297 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1jpk h THR 298 N 0.57 0.08 -4.30 0.58 2.02 -1.97 -3.49 112.91 106.40 1jpk h THR 298 Ca 0.00 -1.09 -0.51 0.00 0.77 0.00 0.00 66.41 65.57 1jpk h THR 298 Cb 0.39 0.18 0.12 0.00 -1.74 0.00 0.00 68.15 67.11 1jpk h THR 298 CO 0.00 0.03 0.33 0.68 0.37 0.00 0.00 175.52 176.93 1jpk s VAL 299 N -2.19 3.38 0.02 3.16 -7.23 -1.26 -4.92 120.40 111.36 1jpk s VAL 299 Ca -0.15 0.48 -0.12 0.00 -1.81 0.00 0.00 61.98 60.38 1jpk s VAL 299 Cb 0.02 -2.99 -0.06 0.00 0.56 0.00 0.00 36.38 33.91 1jpk s VAL 299 CO 0.23 -0.56 0.39 -0.89 -0.31 0.00 0.00 175.10 173.96 1jpk s THR 300 N -2.83 5.09 -0.16 5.32 2.01 -0.35 -4.93 115.64 119.79 1jpk s THR 300 Ca 0.62 0.64 -0.06 0.00 0.31 0.00 0.00 61.69 63.20 1jpk s THR 300 Cb -0.17 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1jpk s THR 300 CO 0.54 0.47 0.04 -0.76 -0.69 0.00 0.00 174.62 174.21 1jpk s LEU 301 N -1.41 3.73 -0.25 4.42 1.43 -0.70 -0.90 118.68 125.00 1jpk s LEU 301 Ca 0.27 0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.33 1jpk s LEU 301 Cb -0.15 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1jpk s LEU 301 CO 0.15 0.21 0.21 -1.58 0.23 0.00 0.00 176.35 175.57 1jpk s GLN 302 N 0.13 4.03 -0.29 1.70 0.74 -0.77 -1.28 119.66 123.92 1jpk s GLN 302 Ca 0.04 -0.22 -0.08 0.00 0.05 0.00 0.00 55.36 55.15 1jpk s GLN 302 Cb -0.12 -3.59 -0.00 0.00 1.10 0.00 0.00 33.01 30.39 1jpk s GLN 302 CO 0.01 -0.06 0.10 0.20 -0.55 0.00 0.00 175.29 174.99 1jpk s GLY 303 N 1.35 1.81 0.00 2.59 0.00 0.29 -1.98 107.32 111.37 1jpk s GLY 303 Ca 0.09 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1jpk s GLY 303 CO 0.07 0.64 0.00 1.16 0.00 0.00 0.00 173.10 174.97 1jpk n ASN 304 N 4.92 0.00 -4.77 1.64 0.23 -1.23 -2.88 115.26 113.17 1jpk n ASN 304 Ca -0.15 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.49 1jpk n ASN 304 Cb 0.49 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.18 1jpk n ASN 304 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1jpk s LEU 305 N 0.00 4.38 -0.03 -4.53 2.96 -0.98 -3.66 118.68 116.82 1jpk s LEU 305 Ca 0.00 2.83 -0.30 0.00 -0.22 0.00 0.00 54.13 56.43 1jpk s LEU 305 Cb 0.00 -3.65 -0.09 0.00 0.50 0.00 0.00 46.19 42.95 1jpk s LEU 305 CO 0.00 -0.71 2.01 -0.67 -1.32 0.00 0.00 176.35 175.66 1jpk n ASP 306 N 1.04 3.90 -0.30 3.68 2.03 -1.26 0.13 116.55 125.77 1jpk n ASP 306 Ca 0.02 0.80 0.18 0.00 0.52 0.00 0.00 54.79 56.31 1jpk n ASP 306 Cb 0.40 -1.50 0.44 0.00 -0.72 0.00 0.00 41.12 39.74 1jpk n ASP 306 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1jpk h PRO 307 N 11.12 0.52 0.00 -0.67 0.13 -1.89 0.40 132.00 141.61 1jpk h PRO 307 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1jpk h PRO 307 Cb 1.25 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1jpk h PRO 307 CO 0.95 0.34 0.00 0.00 -0.23 0.00 0.00 178.00 179.06 1jpk h ALA 309 N 2.08 1.75 0.00 0.00 0.00 -0.55 -0.41 119.26 122.13 1jpk h ALA 309 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jpk h ALA 309 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jpk h ALA 309 CO 0.00 -0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.43 1jpk n LEU 310 N -4.03 0.00 0.18 0.00 4.77 -0.71 -1.65 117.00 115.57 1jpk n LEU 310 Ca -0.01 0.24 0.09 0.00 -0.03 0.00 0.00 56.01 56.30 1jpk n LEU 310 Cb 0.16 -0.24 0.11 0.00 -2.33 0.00 0.00 43.42 41.12 1jpk n LEU 310 CO 0.29 -0.14 0.62 1.88 -1.33 0.00 0.00 177.39 178.72 1jpk h TYR 311 N 0.00 0.00 -3.93 -1.77 0.99 -1.29 -3.45 116.97 107.53 1jpk h TYR 311 Ca 0.00 0.00 -0.46 0.00 2.00 0.00 0.00 58.73 60.27 1jpk h TYR 311 Cb 0.11 0.00 0.16 0.00 1.00 0.00 0.00 36.73 37.99 1jpk h TYR 311 CO 0.00 0.15 0.21 0.00 -0.00 0.00 0.00 178.16 178.52 1jpk s ALA 312 N -3.15 1.08 0.82 3.88 0.00 -0.66 -5.01 121.76 118.73 1jpk s ALA 312 Ca 0.05 -0.35 -0.10 0.00 0.00 0.00 0.00 51.96 51.56 1jpk s ALA 312 Cb 0.06 -3.12 0.09 0.00 0.00 0.00 0.00 23.12 20.15 1jpk s ALA 312 CO 0.70 -2.74 1.11 -1.54 0.00 0.00 0.00 175.76 173.29 1jpk s SER 313 N -3.51 3.96 0.43 0.00 1.04 -1.26 -4.76 113.70 109.61 1jpk s SER 313 Ca 0.65 1.91 0.13 0.00 0.48 0.00 0.00 55.95 59.12 1jpk s SER 313 Cb -0.18 -2.52 1.02 0.00 0.10 0.00 0.00 66.02 64.44 1jpk s SER 313 CO 0.57 -2.40 1.99 -0.33 0.98 0.00 0.00 173.24 174.05 1jpk h GLU 314 N -1.38 0.41 -0.08 4.02 5.08 -1.95 0.39 114.58 121.07 1jpk h GLU 314 Ca -0.44 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 1jpk h GLU 314 Cb 1.25 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1jpk h GLU 314 CO 0.49 0.27 -0.02 1.49 -1.00 0.00 0.00 179.01 180.24 1jpk h GLU 315 N 0.42 0.16 -0.15 2.33 4.81 -2.00 -1.98 114.58 118.17 1jpk h GLU 315 Ca 0.27 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1jpk h GLU 315 Cb 0.49 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1jpk h GLU 315 CO -0.07 0.47 -0.07 0.93 -0.73 0.00 0.00 179.01 179.53 1jpk h GLU 316 N -0.17 0.22 -0.45 1.92 5.08 -1.61 -2.31 114.58 117.27 1jpk h GLU 316 Ca 0.02 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1jpk h GLU 316 Cb 0.41 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1jpk h GLU 316 CO 0.01 0.31 -0.08 0.82 -1.00 0.00 0.00 179.01 179.07 1jpk h ILE 317 N 0.21 1.27 -0.73 3.13 1.08 -0.80 -1.65 117.51 120.03 1jpk h ILE 317 Ca 0.05 -1.18 -0.00 0.00 -0.39 0.00 0.00 64.86 63.34 1jpk h ILE 317 Cb 0.27 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.11 1jpk h ILE 317 CO 0.01 0.40 0.45 1.23 -0.69 0.00 0.00 178.15 179.56 1jpk h GLY 318 N 0.68 1.05 0.97 5.37 0.00 -0.81 -0.47 103.07 109.87 1jpk h GLY 318 Ca 0.12 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 1jpk h GLY 318 CO 0.04 0.41 -0.10 1.46 0.00 0.00 0.00 176.54 178.35 1jpk h GLN 319 N 1.00 0.74 -0.38 4.80 4.20 -1.37 0.21 115.11 124.31 1jpk h GLN 319 Ca 0.26 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1jpk h GLN 319 Cb -0.06 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1jpk h GLN 319 CO -0.05 0.89 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.85 1jpk h LEU 320 N 0.54 0.62 -0.33 1.46 3.38 -1.11 -1.58 115.31 118.29 1jpk h LEU 320 Ca 0.09 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1jpk h LEU 320 Cb 0.62 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1jpk h LEU 320 CO 0.04 0.74 -0.19 0.58 0.09 0.00 0.00 178.44 179.70 1jpk h VAL 321 N 0.59 1.29 -0.38 1.22 2.07 -0.87 -1.45 116.25 118.71 1jpk h VAL 321 Ca 0.11 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 66.33 1jpk h VAL 321 Cb 0.49 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1jpk h VAL 321 CO 0.03 0.43 0.21 0.50 0.02 0.00 0.00 177.57 178.75 1jpk h LYS 322 N 0.48 0.41 -0.70 1.57 3.64 -0.68 -0.08 116.57 121.20 1jpk h LYS 322 Ca 0.07 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1jpk h LYS 322 Cb 0.74 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1jpk h LYS 322 CO 0.05 0.27 0.19 0.37 -2.27 0.00 0.00 179.45 178.06 1jpk h GLN 323 N 0.42 1.10 -0.35 1.90 5.75 -1.24 -1.54 115.11 121.16 1jpk h GLN 323 Ca 0.16 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 1jpk h GLN 323 Cb 0.04 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 1jpk h GLN 323 CO -0.09 0.96 0.17 1.98 -2.65 0.00 0.00 178.83 179.19 1jpk h MET 324 N 1.05 0.50 -0.90 1.69 4.05 -0.74 -2.37 114.93 118.21 1jpk h MET 324 Ca 0.22 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 1jpk h MET 324 Cb 0.34 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.01 1jpk h MET 324 CO -0.00 0.46 0.53 -0.07 0.23 0.00 0.00 176.91 178.05 1jpk h LEU 325 N 0.42 1.10 -1.14 3.39 4.07 -0.81 -2.00 115.31 120.34 1jpk h LEU 325 Ca 0.12 -0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.95 1jpk h LEU 325 Cb 0.12 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.56 1jpk h LEU 325 CO -0.01 0.85 0.06 0.44 -1.08 0.00 0.00 178.44 178.70 1jpk h ASP 326 N 1.25 0.62 -0.12 -0.43 3.45 -1.06 -0.74 116.42 119.38 1jpk h ASP 326 Ca 0.32 -0.11 -0.19 0.00 0.43 0.00 0.00 57.03 57.48 1jpk h ASP 326 Cb -0.03 -0.16 0.01 0.00 -0.56 0.00 0.00 39.33 38.59 1jpk h ASP 326 CO -0.06 0.65 -0.65 0.44 -1.57 0.00 0.00 179.24 178.06 1jpk h ASP 327 N 0.64 0.78 -0.05 6.45 5.19 -1.11 -3.29 116.42 125.03 1jpk h ASP 327 Ca 0.14 -0.64 -0.17 0.00 -0.62 0.00 0.00 57.03 55.74 1jpk h ASP 327 Cb 0.31 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.59 1jpk h ASP 327 CO 0.01 1.30 -0.55 -0.26 -3.12 0.00 0.00 179.24 176.61 1jpk h PHE 328 N 0.32 0.80 0.00 4.55 -1.00 -1.24 -3.38 116.94 116.99 1jpk h PHE 328 Ca -0.05 -0.28 0.00 0.00 2.81 0.00 0.00 57.97 60.45 1jpk h PHE 328 Cb 1.29 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.70 1jpk h PHE 328 CO 0.10 1.04 0.00 0.41 -1.61 0.00 0.00 178.31 178.25 1jpk n GLY 329 N 0.28 -1.35 0.13 -1.45 0.00 -0.30 -4.67 105.19 97.83 1jpk n GLY 329 Ca -0.03 -1.45 0.11 0.00 0.00 0.00 0.00 46.02 44.64 1jpk n GLY 329 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jpk n PRO 330 N -0.56 0.15 -3.47 1.61 -0.04 -1.26 -4.74 135.00 126.69 1jpk n PRO 330 Ca 0.00 0.52 -0.33 0.00 -0.04 0.00 0.00 63.50 63.64 1jpk n PRO 330 Cb 0.00 -1.87 -0.05 0.00 -0.04 0.00 0.00 33.50 31.53 1jpk n PRO 330 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1jpk s HIS 331 N -3.39 3.51 -1.10 0.54 3.76 -1.26 -4.55 115.29 112.81 1jpk s HIS 331 Ca 0.01 0.87 -0.31 0.00 -0.15 0.00 0.00 55.06 55.48 1jpk s HIS 331 Cb 0.07 -2.24 0.04 0.00 1.11 0.00 0.00 32.58 31.57 1jpk s HIS 331 CO 0.28 0.39 0.62 0.54 -0.85 0.00 0.00 174.74 175.71 1jpk n ARG 332 N 0.37 -0.32 -3.76 1.40 1.74 -1.26 -4.92 116.66 109.91 1jpk n ARG 332 Ca -0.03 0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 56.96 1jpk n ARG 332 Cb 0.52 -2.14 -0.12 0.00 -1.02 0.00 0.00 32.46 29.71 1jpk n ARG 332 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1jpk s TYR 333 N -3.61 -0.34 -0.16 -1.55 5.04 -1.26 -1.72 117.35 113.76 1jpk s TYR 333 Ca 0.43 0.80 0.00 0.00 -2.44 0.00 0.00 57.07 55.87 1jpk s TYR 333 Cb -0.24 0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.21 1jpk s TYR 333 CO 0.89 -0.18 -0.10 0.42 -1.34 0.00 0.00 175.55 175.24 1jpk s ILE 334 N 0.49 1.36 0.51 3.14 1.01 -0.41 -4.55 121.20 122.76 1jpk s ILE 334 Ca -0.03 -0.65 -0.20 0.00 0.00 0.00 0.00 60.65 59.77 1jpk s ILE 334 Cb -0.04 -1.40 -0.07 0.00 0.01 0.00 0.00 42.46 40.96 1jpk s ILE 334 CO -0.03 0.28 1.11 0.00 0.00 0.00 0.00 174.94 176.30 1jpk s ALA 335 N 1.55 2.78 -0.01 9.38 0.00 -0.26 0.10 121.76 135.31 1jpk s ALA 335 Ca 0.02 0.78 -0.28 0.00 0.00 0.00 0.00 51.96 52.48 1jpk s ALA 335 Cb -0.14 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.74 1jpk s ALA 335 CO -0.09 -0.62 1.28 1.21 0.00 0.00 0.00 175.76 177.54 1jpk s ASN 336 N -1.78 0.00 0.67 0.00 3.84 -1.14 -3.00 114.94 113.54 1jpk s ASN 336 Ca 0.70 -0.21 -0.03 0.00 0.21 0.00 0.00 52.86 53.52 1jpk s ASN 336 Cb -0.22 0.16 0.07 0.00 -0.55 0.00 0.00 41.25 40.71 1jpk s ASN 336 CO 0.26 -0.32 0.95 -0.76 -2.79 0.00 0.00 177.10 174.44 1jpk s LEU 337 N -3.72 3.00 0.00 3.21 1.43 -1.26 -2.32 118.68 119.02 1jpk s LEU 337 Ca 0.28 0.10 0.29 0.00 -1.03 0.00 0.00 54.13 53.77 1jpk s LEU 337 Cb -0.00 -2.73 1.18 0.00 0.03 0.00 0.00 46.19 44.67 1jpk s LEU 337 CO -0.01 -1.57 1.88 0.61 0.23 0.00 0.00 176.35 177.49 1jpk n GLY 338 N -2.75 -1.43 3.79 -3.19 0.00 0.35 -3.99 105.19 97.96 1jpk n GLY 338 Ca 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 1jpk n GLY 338 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jpk s HIS 339 N -2.94 -0.04 0.81 1.61 5.65 -1.26 -3.96 115.29 115.17 1jpk s HIS 339 Ca 0.16 -0.27 -0.13 0.00 0.25 0.00 0.00 55.06 55.07 1jpk s HIS 339 Cb 0.19 0.65 0.09 0.00 -1.18 0.00 0.00 32.58 32.32 1jpk s HIS 339 CO 0.54 -0.76 1.19 0.20 -0.65 0.00 0.00 174.74 175.27 1jpk s GLY 340 N -3.14 2.10 0.54 1.59 0.00 -1.26 -4.67 107.32 102.48 1jpk s GLY 340 Ca 0.17 0.80 -0.21 0.00 0.00 0.00 0.00 44.72 45.48 1jpk s GLY 340 CO 0.02 1.21 1.21 1.08 0.00 0.00 0.00 173.10 176.63 1jpk s LEU 341 N -5.77 3.82 0.10 0.66 1.43 -0.89 -4.90 118.68 113.14 1jpk s LEU 341 Ca 0.72 2.40 -0.11 0.00 -1.03 0.00 0.00 54.13 56.12 1jpk s LEU 341 Cb -0.28 -4.43 -0.06 0.00 0.03 0.00 0.00 46.19 41.45 1jpk s LEU 341 CO 0.51 -1.33 0.44 -0.31 0.23 0.00 0.00 176.35 175.89 1jpk s TYR 342 N -1.55 3.57 0.51 0.29 4.12 -1.26 -4.96 117.35 118.07 1jpk s TYR 342 Ca 0.71 0.84 0.31 0.00 0.02 0.00 0.00 57.07 58.96 1jpk s TYR 342 Cb -0.31 -2.20 1.43 0.00 -1.52 0.00 0.00 41.96 39.37 1jpk s TYR 342 CO 0.35 0.48 1.82 -1.35 0.02 0.00 0.00 175.55 176.87 1jpk h PRO 343 N 3.58 0.09 -0.61 -1.71 0.11 -1.96 -1.95 132.00 129.54 1jpk h PRO 343 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1jpk h PRO 343 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jpk h PRO 343 CO 0.67 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 1jpk n ASP 344 N -4.30 3.46 -4.81 -2.05 5.75 -1.26 -3.61 116.55 109.72 1jpk n ASP 344 Ca 0.24 -2.10 -0.34 0.00 -0.01 0.00 0.00 54.79 52.58 1jpk n ASP 344 Cb 1.09 -0.44 -0.07 0.00 -1.03 0.00 0.00 41.12 40.68 1jpk n ASP 344 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1jpk s MET 345 N -1.36 4.27 -0.17 0.11 -1.94 -0.73 -5.02 119.30 114.45 1jpk s MET 345 Ca 0.41 1.19 -0.29 0.00 -1.71 0.00 0.00 55.69 55.29 1jpk s MET 345 Cb 0.23 -2.31 -0.00 0.00 2.01 0.00 0.00 34.83 34.76 1jpk s MET 345 CO 0.26 -0.00 1.02 0.34 -0.01 0.00 0.00 175.02 176.62 1jpk s ASP 346 N -2.03 7.16 0.41 3.03 -1.08 -1.26 -4.80 116.67 118.10 1jpk s ASP 346 Ca 0.60 1.44 0.13 0.00 -0.52 0.00 0.00 52.55 54.20 1jpk s ASP 346 Cb -0.12 -2.54 0.98 0.00 -1.46 0.00 0.00 42.92 39.77 1jpk s ASP 346 CO 0.16 -0.56 1.95 -0.65 0.52 0.00 0.00 175.17 176.58 1jpk h PRO 347 N 7.29 0.47 -0.12 4.34 0.11 -1.96 -0.09 132.00 142.05 1jpk h PRO 347 Ca -0.25 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1jpk h PRO 347 Cb 1.10 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1jpk h PRO 347 CO 0.92 0.31 -0.08 0.93 -0.21 0.00 0.00 178.00 179.87 1jpk h GLU 348 N 0.49 0.18 0.00 1.05 4.39 -1.98 -1.52 114.58 117.19 1jpk h GLU 348 Ca 0.33 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.88 1jpk h GLU 348 Cb 0.62 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1jpk h GLU 348 CO -0.11 0.28 -0.53 0.45 -1.16 0.00 0.00 179.01 177.94 1jpk h HIS 349 N 0.18 0.00 -0.09 4.33 3.86 -1.35 -2.44 115.15 119.63 1jpk h HIS 349 Ca 0.04 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.08 1jpk h HIS 349 Cb 0.26 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1jpk h HIS 349 CO 0.00 0.53 -0.65 0.28 0.86 0.00 0.00 177.93 178.95 1jpk h VAL 350 N 0.00 1.37 -0.43 2.45 2.07 -0.97 -2.35 116.25 118.39 1jpk h VAL 350 Ca -0.01 -2.03 -0.13 0.00 0.82 0.00 0.00 66.70 65.35 1jpk h VAL 350 Cb 1.35 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1jpk h VAL 350 CO 0.07 0.61 -0.25 1.23 0.02 0.00 0.00 177.57 179.25 1jpk h GLY 351 N 1.32 0.99 1.06 2.17 0.00 -1.20 -2.25 103.07 105.16 1jpk h GLY 351 Ca -0.01 -0.89 -0.05 0.00 0.00 0.00 0.00 47.33 46.38 1jpk h GLY 351 CO 0.11 0.81 0.32 0.00 0.00 0.00 0.00 176.54 177.78 1jpk h ALA 352 N 0.93 1.05 0.20 3.60 0.00 -1.30 0.06 119.26 123.80 1jpk h ALA 352 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1jpk h ALA 352 Cb 0.81 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1jpk h ALA 352 CO 0.07 0.67 -0.09 0.35 0.00 0.00 0.00 179.25 180.24 1jpk h PHE 353 N 1.16 -0.24 -0.35 0.00 3.57 -1.24 0.47 116.94 120.31 1jpk h PHE 353 Ca 0.27 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.79 1jpk h PHE 353 Cb 0.22 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1jpk h PHE 353 CO 0.02 -0.09 0.16 0.28 -2.23 0.00 0.00 178.31 176.45 1jpk h VAL 354 N -0.35 0.96 -0.39 1.41 2.07 -1.18 -1.46 116.25 117.31 1jpk h VAL 354 Ca -0.03 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1jpk h VAL 354 Cb 0.27 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1jpk h VAL 354 CO 0.04 0.06 -0.07 0.44 0.02 0.00 0.00 177.57 178.07 1jpk h ASP 355 N 0.33 0.64 -0.42 0.57 3.32 -0.91 -2.73 116.42 117.21 1jpk h ASP 355 Ca 0.15 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1jpk h ASP 355 Cb 0.08 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1jpk h ASP 355 CO -0.12 0.76 -0.10 0.00 -1.72 0.00 0.00 179.24 178.05 1jpk h ALA 356 N 1.31 0.58 -0.49 3.45 0.00 -0.41 -0.93 119.26 122.78 1jpk h ALA 356 Ca 0.12 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1jpk h ALA 356 Cb 0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1jpk h ALA 356 CO 0.03 0.47 0.29 0.28 0.00 0.00 0.00 179.25 180.31 1jpk h VAL 357 N 0.64 1.16 -0.13 0.00 2.07 -1.15 -1.03 116.25 117.80 1jpk h VAL 357 Ca 0.11 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1jpk h VAL 357 Cb 0.64 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1jpk h VAL 357 CO 0.04 0.16 0.04 0.45 0.02 0.00 0.00 177.57 178.28 1jpk h HIS 358 N 0.65 0.22 0.80 1.57 -0.00 -1.39 -1.63 115.15 115.37 1jpk h HIS 358 Ca 0.18 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.48 1jpk h HIS 358 Cb 0.00 -0.06 0.01 0.00 -0.00 0.00 0.00 27.41 27.36 1jpk h HIS 358 CO -0.03 0.35 -0.39 -0.22 -0.00 0.00 0.00 177.93 177.65 1jpk h LYS 359 N 0.02 -1.04 -0.44 2.45 3.64 -1.04 -3.08 116.57 117.09 1jpk h LYS 359 Ca 0.04 0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1jpk h LYS 359 Cb 0.24 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1jpk h LYS 359 CO -0.00 -0.68 -0.02 0.45 -2.27 0.00 0.00 179.45 176.93 1jpk h HIS 360 N -1.13 0.78 -0.01 1.91 3.86 -1.27 -2.59 115.15 116.71 1jpk h HIS 360 Ca -0.11 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 58.96 1jpk h HIS 360 Cb 0.83 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 1jpk h HIS 360 CO -0.01 0.74 -0.14 0.66 0.86 0.00 0.00 177.93 180.04 1jpk h SER 361 N 0.68 0.01 0.22 2.45 4.64 -1.36 0.31 113.55 120.51 1jpk h SER 361 Ca 0.13 -0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.19 1jpk h SER 361 Cb 0.45 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1jpk h SER 361 CO 0.02 0.15 -1.07 0.03 -0.87 0.00 0.00 176.83 175.08 1jpk h ARG 362 N 0.01 0.53 -0.52 4.77 3.08 -1.40 -3.10 114.38 117.74 1jpk h ARG 362 Ca 0.00 -0.63 -0.10 0.00 0.07 0.00 0.00 59.98 59.32 1jpk h ARG 362 Cb 0.25 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1jpk h ARG 362 CO 0.02 1.25 -0.08 -0.07 -1.07 0.00 0.00 179.97 180.01 1jpk h LEU 363 N 0.27 0.98 -0.54 3.04 3.38 -0.97 0.41 115.31 121.89 1jpk h LEU 363 Ca -0.13 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1jpk h LEU 363 Cb 1.73 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1jpk h LEU 363 CO 0.20 1.09 0.00 -0.11 0.09 0.00 0.00 178.44 179.71 1jpk n LEU 364 N -4.20 0.28 -0.08 1.67 7.94 0.10 -2.53 117.00 120.17 1jpk n LEU 364 Ca 0.01 0.61 -0.12 0.00 -1.11 0.00 0.00 56.01 55.39 1jpk n LEU 364 Cb 0.38 -0.61 -0.07 0.00 0.53 0.00 0.00 43.42 43.65 1jpk n LEU 364 CO 0.45 -0.60 -1.05 0.54 -1.11 0.00 0.00 177.39 175.62 1jpk n ARG 365 N -1.85 0.41 0.00 1.96 1.74 -0.81 -4.92 116.66 113.18 1jpk n ARG 365 Ca 0.01 0.10 0.14 0.00 -0.77 0.00 0.00 57.85 57.33 1jpk n ARG 365 Cb 0.08 -1.31 0.61 0.00 -1.02 0.00 0.00 32.46 30.83 1jpk n ARG 365 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05