#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pjz n GLN 2 N 0.00 0.00 0.00 1.57 6.02 -1.26 -4.60 117.38 119.11 1pjz n GLN 2 Ca 0.00 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 1pjz n GLN 2 Cb 0.00 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1pjz n GLN 2 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1pjz n SER 3 N -2.15 0.00 -3.41 1.08 7.64 -1.26 -3.77 113.62 111.75 1pjz n SER 3 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1pjz n SER 3 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1pjz n SER 3 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1pjz s GLU 4 N 0.00 0.72 -0.53 1.43 -1.05 -1.26 -5.03 118.70 112.98 1pjz s GLU 4 Ca 0.00 -1.68 0.05 0.00 -0.15 0.00 0.00 54.97 53.19 1pjz s GLU 4 Cb 0.00 -1.31 0.18 0.00 -0.44 0.00 0.00 34.13 32.56 1pjz s GLU 4 CO 0.00 -1.30 0.44 1.55 0.95 0.00 0.00 175.26 176.90 1pjz n VAL 5 N 3.46 0.07 -2.28 1.83 3.14 -1.25 -4.74 118.33 118.57 1pjz n VAL 5 Ca 0.21 -4.10 0.00 0.00 -2.96 0.00 0.00 64.34 57.48 1pjz n VAL 5 Cb 0.43 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 31.31 1pjz n VAL 5 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1pjz n ASN 6 N 2.28 -4.73 -0.44 6.55 5.15 -1.25 -3.09 115.26 119.74 1pjz n ASN 6 Ca 0.26 0.38 0.36 0.00 -0.60 0.00 0.00 54.58 54.98 1pjz n ASN 6 Cb 0.43 -1.07 0.64 0.00 -0.53 0.00 0.00 39.78 39.25 1pjz n ASN 6 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1pjz h LYS 7 N 3.16 0.10 0.20 1.20 3.11 -1.94 0.98 116.57 123.38 1pjz h LYS 7 Ca 0.00 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 1pjz h LYS 7 Cb 0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1pjz h LYS 7 CO 0.00 0.07 -0.09 -0.44 -2.81 0.00 0.00 179.45 176.17 1pjz h ASP 8 N 0.11 -0.22 0.12 4.20 3.32 -1.95 0.35 116.42 122.34 1pjz h ASP 8 Ca 0.80 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.63 1pjz h ASP 8 Cb 2.51 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 42.11 1pjz h ASP 8 CO -0.39 0.11 -0.23 0.25 -1.72 0.00 0.00 179.24 177.26 1pjz h LEU 9 N -0.58 -0.66 -1.87 1.55 7.12 0.69 0.83 115.31 122.38 1pjz h LEU 9 Ca -0.03 0.06 0.17 0.00 0.13 0.00 0.00 57.88 58.22 1pjz h LEU 9 Cb 0.43 0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 40.76 1pjz h LEU 9 CO 0.04 -0.26 0.46 0.06 -0.13 0.00 0.00 178.44 178.61 1pjz h GLN 10 N -0.37 0.12 0.00 1.25 -0.00 -0.93 0.17 115.11 115.35 1pjz h GLN 10 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1pjz h GLN 10 Cb 0.35 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.80 1pjz h GLN 10 CO -0.09 0.08 0.00 0.94 -0.00 0.00 0.00 178.83 179.76 1pjz n GLN 11 N -4.39 0.00 -0.25 0.06 7.27 0.12 -0.88 117.38 119.31 1pjz n GLN 11 Ca 0.13 0.09 -0.05 0.00 0.07 0.00 0.00 57.00 57.24 1pjz n GLN 11 Cb 0.65 -0.86 0.01 0.00 2.41 0.00 0.00 30.24 32.44 1pjz n GLN 11 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 1pjz h TYR 12 N 0.00 -1.05 -0.15 3.69 0.05 0.70 0.22 116.97 120.43 1pjz h TYR 12 Ca 0.00 0.08 0.05 0.00 0.05 0.00 0.00 58.73 58.91 1pjz h TYR 12 Cb 0.00 0.56 -0.06 0.00 1.01 0.00 0.00 36.73 38.24 1pjz h TYR 12 CO 0.02 -0.40 -0.29 2.35 -1.05 0.00 0.00 178.16 178.80 1pjz h TRP 13 N -0.13 -0.78 -1.08 4.88 2.91 -0.80 4.52 115.95 125.46 1pjz h TRP 13 Ca 0.25 0.04 0.29 0.00 1.13 0.00 0.00 58.89 60.60 1pjz h TRP 13 Cb 0.56 0.37 -0.08 0.00 -0.51 0.00 0.00 29.16 29.50 1pjz h TRP 13 CO -0.72 -0.37 0.73 1.03 -1.03 0.00 0.00 178.44 178.08 1pjz h SER 14 N -0.35 0.28 0.00 2.65 0.87 0.13 0.15 113.55 117.28 1pjz h SER 14 Ca 0.10 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1pjz h SER 14 Cb 0.51 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1pjz h SER 14 CO -0.35 0.05 -0.41 0.28 -0.53 0.00 0.00 176.83 175.87 1pjz h SER 15 N 0.24 0.00 -0.76 6.23 0.02 0.22 -3.37 113.55 116.13 1pjz h SER 15 Ca 0.58 0.00 0.26 0.00 -0.84 0.00 0.00 61.79 61.79 1pjz h SER 15 Cb 1.78 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 64.17 1pjz h SER 15 CO -0.20 0.65 0.19 0.18 -1.14 0.00 0.00 176.83 176.51 1pjz n LEU 16 N -4.36 0.07 -3.53 5.07 4.77 1.44 -4.73 117.00 115.73 1pjz n LEU 16 Ca -0.06 1.29 -0.23 0.00 -0.03 0.00 0.00 56.01 56.98 1pjz n LEU 16 Cb 0.21 -0.54 0.08 0.00 -2.33 0.00 0.00 43.42 40.84 1pjz n LEU 16 CO 0.09 -1.36 0.24 -3.20 -1.33 0.00 0.00 177.39 171.82 1pjz n ASN 17 N -4.92 -6.09 -4.39 -1.43 5.15 0.49 -4.86 115.26 99.21 1pjz n ASN 17 Ca 0.23 -0.53 -0.45 0.00 -0.60 0.00 0.00 54.58 53.23 1pjz n ASN 17 Cb 0.77 -4.96 -0.01 0.00 -0.53 0.00 0.00 39.78 35.05 1pjz n ASN 17 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1pjz n VAL 18 N -4.92 1.51 -1.06 3.44 0.31 -1.26 -4.75 118.33 111.60 1pjz n VAL 18 Ca -0.01 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.48 1pjz n VAL 18 Cb 0.56 -0.16 0.02 0.00 -0.91 0.00 0.00 33.84 33.35 1pjz n VAL 18 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1pjz n VAL 19 N -0.46 0.00 -2.33 2.52 0.24 -1.26 -4.73 118.33 112.32 1pjz n VAL 19 Ca 0.14 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 61.58 1pjz n VAL 19 Cb 0.33 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.67 1pjz n VAL 19 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1pjz s PRO 20 N -1.13 3.28 0.00 7.34 0.04 -1.26 -2.09 135.00 141.17 1pjz s PRO 20 Ca 0.47 0.59 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1pjz s PRO 20 Cb -0.37 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.03 1pjz s PRO 20 CO 0.63 -1.96 0.00 0.41 0.04 0.00 0.00 177.00 176.12 1pjz n GLY 21 N 5.29 0.60 2.92 0.56 0.00 -1.20 -5.04 105.19 108.32 1pjz n GLY 21 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1pjz n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz n ALA 22 N -1.53 -4.16 -2.70 4.61 0.00 -0.89 -3.17 120.51 112.67 1pjz n ALA 22 Ca 0.00 -0.35 -0.38 0.00 0.00 0.00 0.00 53.44 52.71 1pjz n ALA 22 Cb 0.00 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 1pjz n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pjz s ARG 23 N -1.41 4.31 -0.35 0.00 0.52 -0.74 -1.54 118.95 119.74 1pjz s ARG 23 Ca 0.45 0.48 -0.11 0.00 -0.52 0.00 0.00 55.73 56.04 1pjz s ARG 23 Cb -0.32 -3.47 0.02 0.00 0.52 0.00 0.00 34.95 31.70 1pjz s ARG 23 CO 0.70 0.06 0.19 0.08 0.02 0.00 0.00 175.30 176.35 1pjz s VAL 24 N 0.94 4.59 0.05 3.52 1.01 0.81 -1.80 120.40 129.51 1pjz s VAL 24 Ca 0.27 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 1pjz s VAL 24 Cb -0.15 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1pjz s VAL 24 CO 0.11 -0.14 0.63 -0.22 0.00 0.00 0.00 175.10 175.47 1pjz s LEU 25 N 1.57 4.48 -0.10 3.92 1.98 0.16 0.08 118.68 130.77 1pjz s LEU 25 Ca 0.03 1.28 -0.00 0.00 -2.89 0.00 0.00 54.13 52.55 1pjz s LEU 25 Cb -0.18 -2.99 0.02 0.00 0.66 0.00 0.00 46.19 43.70 1pjz s LEU 25 CO 0.07 0.16 -0.07 -0.69 -1.89 0.00 0.00 176.35 173.93 1pjz s VAL 26 N -0.59 0.94 0.02 1.68 1.01 0.28 -0.67 120.40 123.08 1pjz s VAL 26 Ca 0.32 -0.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.86 1pjz s VAL 26 Cb -0.19 -0.97 -0.22 0.00 0.00 0.00 0.00 36.38 35.00 1pjz s VAL 26 CO 0.20 0.35 1.14 1.55 0.00 0.00 0.00 175.10 178.34 1pjz h PRO 27 N 8.07 0.45 0.00 2.72 0.13 -1.82 0.00 132.00 141.55 1pjz h PRO 27 Ca -0.29 -0.44 -0.03 0.00 -0.87 0.00 0.00 66.00 64.37 1pjz h PRO 27 Cb 1.13 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1pjz h PRO 27 CO 0.40 1.09 -0.08 1.47 -0.23 0.00 0.00 178.00 180.65 1pjz n LEU 28 N -4.22 -0.26 0.13 1.56 -0.00 -1.22 -4.08 117.00 108.91 1pjz n LEU 28 Ca -0.10 -0.79 0.13 0.00 -0.00 0.00 0.00 56.01 55.25 1pjz n LEU 28 Cb 0.65 0.00 0.39 0.00 -0.00 0.00 0.00 43.42 44.46 1pjz n LEU 28 CO 0.47 0.90 0.88 0.00 -0.00 0.00 0.00 177.39 179.63 1pjz n GLY 30 N 1.05 2.37 0.00 0.00 0.00 -1.17 -4.56 105.19 102.87 1pjz n GLY 30 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1pjz n GLY 30 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pjz n LYS 31 N 5.46 0.00 0.00 1.61 2.85 -1.26 -4.87 118.16 121.94 1pjz n LYS 31 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1pjz n LYS 31 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1pjz n LYS 31 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1pjz n SER 32 N 0.00 -0.83 -0.04 -5.58 2.88 -1.26 -2.47 113.62 106.32 1pjz n SER 32 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1pjz n SER 32 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1pjz n SER 32 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1pjz h GLN 33 N 0.00 0.71 0.19 -1.46 1.08 -1.97 -1.09 115.11 112.56 1pjz h GLN 33 Ca 0.00 -0.42 0.01 0.00 -1.45 0.00 0.00 58.65 56.79 1pjz h GLN 33 Cb 0.00 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 1pjz h GLN 33 CO 0.00 1.04 -0.42 0.38 -0.95 0.00 0.00 178.83 178.88 1pjz h ASP 34 N 0.56 -1.22 0.73 1.46 2.03 -1.89 0.35 116.42 118.44 1pjz h ASP 34 Ca 0.02 0.13 -0.04 0.00 -0.73 0.00 0.00 57.03 56.42 1pjz h ASP 34 Cb 1.06 0.45 0.01 0.00 -0.83 0.00 0.00 39.33 40.02 1pjz h ASP 34 CO 0.10 -0.51 -0.35 -0.03 -1.03 0.00 0.00 179.24 177.42 1pjz h MET 35 N -0.70 -0.95 -1.16 4.15 -1.53 -1.50 -0.43 114.93 112.81 1pjz h MET 35 Ca 0.01 0.06 0.36 0.00 -3.44 0.00 0.00 59.70 56.69 1pjz h MET 35 Cb 0.70 0.22 -0.13 0.00 -0.55 0.00 0.00 31.60 31.84 1pjz h MET 35 CO -0.20 -0.61 0.72 0.77 0.14 0.00 0.00 176.91 177.73 1pjz h SER 36 N -1.11 0.36 -0.19 1.39 0.02 -1.09 1.56 113.55 114.49 1pjz h SER 36 Ca -0.10 0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 1pjz h SER 36 Cb 0.78 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 1pjz h SER 36 CO 0.17 -0.11 -0.26 -0.25 -1.14 0.00 0.00 176.83 175.24 1pjz h TRP 37 N 0.22 0.62 0.59 3.45 7.01 0.03 -0.48 115.95 127.39 1pjz h TRP 37 Ca 0.74 -0.20 -0.03 0.00 2.11 0.00 0.00 58.89 61.51 1pjz h TRP 37 Cb 2.07 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 29.01 1pjz h TRP 37 CO -0.01 0.90 -0.36 -0.07 -2.79 0.00 0.00 178.44 176.12 1pjz h LEU 38 N 0.16 -0.90 -0.91 0.65 3.38 0.37 0.11 115.31 118.16 1pjz h LEU 38 Ca 0.02 0.05 0.19 0.00 0.09 0.00 0.00 57.88 58.23 1pjz h LEU 38 Cb 0.83 0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.73 1pjz h LEU 38 CO 0.06 -0.56 0.47 0.77 0.09 0.00 0.00 178.44 179.28 1pjz h SER 39 N -0.89 0.52 0.09 -0.43 4.64 -0.24 0.70 113.55 117.94 1pjz h SER 39 Ca -0.08 0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1pjz h SER 39 Cb 0.71 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1pjz h SER 39 CO 0.08 0.14 -0.10 1.23 -0.87 0.00 0.00 176.83 177.31 1pjz h GLY 40 N 0.56 0.03 1.32 -0.77 0.00 -0.66 -2.03 103.07 101.52 1pjz h GLY 40 Ca 0.54 -0.02 -0.21 0.00 0.00 0.00 0.00 47.33 47.64 1pjz h GLY 40 CO -0.44 0.02 -0.76 1.46 0.00 0.00 0.00 176.54 176.81 1pjz h GLN 41 N 0.03 0.67 0.00 4.80 1.08 0.30 -3.48 115.11 118.51 1pjz h GLN 41 Ca 0.01 -0.54 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 1pjz h GLN 41 Cb 0.20 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1pjz h GLN 41 CO 0.01 1.16 0.00 0.41 -0.95 0.00 0.00 178.83 179.46 1pjz n GLY 42 N 0.65 0.91 3.74 3.46 0.00 -0.46 -4.96 105.19 108.54 1pjz n GLY 42 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1pjz n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pjz s TYR 43 N -0.93 2.32 -0.79 1.61 1.51 -1.19 -3.24 117.35 116.64 1pjz s TYR 43 Ca 0.00 -0.71 -0.17 0.00 -1.01 0.00 0.00 57.07 55.18 1pjz s TYR 43 Cb 0.00 -1.85 0.15 0.00 -0.11 0.00 0.00 41.96 40.15 1pjz s TYR 43 CO 0.00 0.16 0.88 -1.01 -1.11 0.00 0.00 175.55 174.47 1pjz s HIS 44 N -2.70 3.29 -0.36 2.71 3.76 -0.59 -4.62 115.29 116.78 1pjz s HIS 44 Ca 0.32 -1.45 -0.29 0.00 -0.15 0.00 0.00 55.06 53.50 1pjz s HIS 44 Cb 0.04 -4.05 0.01 0.00 1.11 0.00 0.00 32.58 29.69 1pjz s HIS 44 CO 0.18 -1.27 1.33 0.08 -0.85 0.00 0.00 174.74 174.21 1pjz s VAL 45 N 1.88 4.05 -0.05 -0.90 1.01 -1.26 -0.14 120.40 125.00 1pjz s VAL 45 Ca 0.21 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1pjz s VAL 45 Cb -0.13 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1pjz s VAL 45 CO -0.04 -0.62 -0.03 -0.69 0.00 0.00 0.00 175.10 173.72 1pjz s VAL 46 N 4.80 0.43 0.00 2.92 1.01 0.11 -0.64 120.40 129.03 1pjz s VAL 46 Ca 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1pjz s VAL 46 Cb -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1pjz s VAL 46 CO 0.27 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1pjz n GLY 47 N 4.26 -0.40 3.77 4.51 0.00 -0.46 0.10 105.19 116.98 1pjz n GLY 47 Ca -0.22 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 1pjz n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz s ALA 48 N -2.00 3.66 -0.42 4.61 0.00 -0.01 -0.71 121.76 126.89 1pjz s ALA 48 Ca 0.00 -1.97 0.03 0.00 0.00 0.00 0.00 51.96 50.02 1pjz s ALA 48 Cb 0.00 -0.64 0.12 0.00 0.00 0.00 0.00 23.12 22.60 1pjz s ALA 48 CO 0.00 -0.11 0.18 -2.00 0.00 0.00 0.00 175.76 173.83 1pjz s GLU 49 N -3.93 1.45 -0.70 0.00 2.12 0.06 -3.05 118.70 114.65 1pjz s GLU 49 Ca 0.41 -2.03 -0.27 0.00 0.36 0.00 0.00 54.97 53.45 1pjz s GLU 49 Cb 0.00 -2.77 -0.25 0.00 0.26 0.00 0.00 34.13 31.37 1pjz s GLU 49 CO 0.24 -1.07 1.89 1.28 -0.54 0.00 0.00 175.26 177.05 1pjz n LEU 50 N 3.75 1.88 -3.69 2.70 7.99 -1.19 0.19 117.00 128.63 1pjz n LEU 50 Ca 0.05 -2.33 -0.10 0.00 -0.01 0.00 0.00 56.01 53.62 1pjz n LEU 50 Cb 0.36 -1.24 -0.10 0.00 -0.11 0.00 0.00 43.42 42.33 1pjz n LEU 50 CO 0.25 -2.38 0.09 -0.55 -1.51 0.00 0.00 177.39 173.29 1pjz s SER 51 N 7.22 -0.56 -0.22 -1.43 0.15 -0.17 -4.98 113.70 113.70 1pjz s SER 51 Ca 0.72 0.96 -0.16 0.00 0.70 0.00 0.00 55.95 58.17 1pjz s SER 51 Cb 0.05 0.85 -0.10 0.00 -1.71 0.00 0.00 66.02 65.11 1pjz s SER 51 CO 0.22 -0.20 -0.29 -0.62 1.20 0.00 0.00 173.24 173.56 1pjz n GLU 52 N 4.16 0.55 0.02 5.44 1.02 -1.26 -3.44 120.64 127.12 1pjz n GLU 52 Ca -0.22 0.29 0.03 0.00 -0.02 0.00 0.00 57.16 57.24 1pjz n GLU 52 Cb 0.56 -1.50 0.41 0.00 -0.02 0.00 0.00 31.44 30.88 1pjz n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pjz h ALA 53 N -0.96 1.64 -0.31 0.62 0.00 -1.99 -1.30 119.26 116.96 1pjz h ALA 53 Ca -0.35 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 1pjz h ALA 53 Cb 1.27 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1pjz h ALA 53 CO -0.21 0.30 -0.37 0.00 0.00 0.00 0.00 179.25 178.97 1pjz h ALA 54 N 1.70 0.47 0.05 0.00 0.00 -1.98 -0.52 119.26 118.98 1pjz h ALA 54 Ca 0.13 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1pjz h ALA 54 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1pjz h ALA 54 CO -0.02 0.56 -0.17 0.28 0.00 0.00 0.00 179.25 179.90 1pjz h VAL 55 N 0.58 0.60 -0.36 0.00 2.07 -1.31 0.45 116.25 118.27 1pjz h VAL 55 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1pjz h VAL 55 Cb 0.96 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1pjz h VAL 55 CO 0.09 0.00 0.23 -0.33 0.02 0.00 0.00 177.57 177.58 1pjz h GLU 56 N -0.31 0.49 -0.81 1.57 4.39 -1.26 -1.01 114.58 117.65 1pjz h GLU 56 Ca 0.04 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.75 1pjz h GLU 56 Cb 0.35 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1pjz h GLU 56 CO -0.12 0.35 0.53 -0.09 -1.16 0.00 0.00 179.01 178.52 1pjz h ARG 57 N 0.48 0.90 -0.44 2.33 2.43 -0.60 0.54 114.38 120.01 1pjz h ARG 57 Ca 0.13 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1pjz h ARG 57 Cb -0.02 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1pjz h ARG 57 CO -0.03 0.59 -0.03 1.88 -1.51 0.00 0.00 179.97 180.88 1pjz h TYR 58 N 0.92 0.87 0.00 2.20 -1.99 0.60 0.34 116.97 119.91 1pjz h TYR 58 Ca 0.34 -0.16 -0.07 0.00 2.00 0.00 0.00 58.73 60.84 1pjz h TYR 58 Cb 0.17 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 1pjz h TYR 58 CO -0.00 0.86 -0.32 0.74 -0.00 0.00 0.00 178.16 179.44 1pjz h PHE 59 N 0.63 0.00 0.22 4.88 -1.00 -0.27 -1.31 116.94 120.09 1pjz h PHE 59 Ca 0.12 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.56 1pjz h PHE 59 Cb 0.53 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.12 1pjz h PHE 59 CO 0.04 0.32 -1.61 0.00 -1.61 0.00 0.00 178.31 175.45 1pjz h THR 60 N 0.00 1.13 -0.33 -1.55 1.03 -0.61 0.45 112.91 113.03 1pjz h THR 60 Ca -0.00 -2.62 -0.02 0.00 -0.01 0.00 0.00 66.41 63.76 1pjz h THR 60 Cb 0.66 2.91 -0.01 0.00 -1.07 0.00 0.00 68.15 70.64 1pjz h THR 60 CO 0.04 0.83 0.14 -0.33 -0.01 0.00 0.00 175.52 176.19 1pjz h GLU 61 N 0.13 0.49 0.10 0.00 4.39 -0.16 -3.12 114.58 116.42 1pjz h GLU 61 Ca -0.30 -0.08 -0.30 0.00 0.34 0.00 0.00 59.36 59.02 1pjz h GLU 61 Cb 2.14 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.70 1pjz h GLU 61 CO 0.23 0.48 -1.50 0.00 -1.16 0.00 0.00 179.01 177.06 1pjz h ARG 62 N 0.39 0.22 -1.68 2.33 3.08 -1.36 -3.49 114.38 113.86 1pjz h ARG 62 Ca 0.11 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1pjz h ARG 62 Cb 0.17 0.14 0.02 0.00 0.08 0.00 0.00 29.97 30.37 1pjz h ARG 62 CO -0.01 1.07 -0.09 0.41 -1.07 0.00 0.00 179.97 180.28 1pjz n GLY 63 N 1.64 0.75 0.17 0.04 0.00 0.15 -4.85 105.19 103.09 1pjz n GLY 63 Ca -0.15 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1pjz n GLY 63 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pjz n GLU 64 N -1.12 -0.45 0.00 1.61 1.02 -0.89 -5.02 120.64 115.79 1pjz n GLU 64 Ca 0.00 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1pjz n GLU 64 Cb 0.51 -0.44 0.00 0.00 -0.02 0.00 0.00 31.44 31.48 1pjz n GLU 64 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pjz n GLN 65 N -1.65 0.00 0.00 3.49 1.13 -1.26 -5.12 117.38 113.97 1pjz n GLN 65 Ca -0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1pjz n GLN 65 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.40 1pjz n GLN 65 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1pjz n PRO 66 N 0.00 0.45 -3.82 -1.09 -0.04 -1.26 -5.03 135.00 124.21 1pjz n PRO 66 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 1pjz n PRO 66 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 1pjz n PRO 66 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1pjz s HIS 67 N -0.37 3.20 -0.10 0.54 3.76 -0.46 -4.99 115.29 116.86 1pjz s HIS 67 Ca 0.00 -1.42 -0.09 0.00 -0.15 0.00 0.00 55.06 53.40 1pjz s HIS 67 Cb 0.00 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.45 1pjz s HIS 67 CO 0.00 -0.70 0.20 0.42 -0.85 0.00 0.00 174.74 173.81 1pjz s ILE 68 N 1.38 5.39 0.06 0.60 -1.09 -1.26 -1.49 121.20 124.80 1pjz s ILE 68 Ca -0.01 0.35 0.05 0.00 -2.23 0.00 0.00 60.65 58.81 1pjz s ILE 68 Cb -0.18 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1pjz s ILE 68 CO 0.01 0.58 -0.13 -0.89 -1.23 0.00 0.00 174.94 173.28 1pjz s THR 69 N -0.84 1.01 -0.49 2.92 2.01 0.68 -4.94 115.64 115.99 1pjz s THR 69 Ca 0.16 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 60.89 1pjz s THR 69 Cb -0.13 -0.98 0.13 0.00 0.01 0.00 0.00 72.50 71.53 1pjz s THR 69 CO 0.05 -0.25 0.29 -0.55 -0.69 0.00 0.00 174.62 173.47 1pjz s SER 70 N -1.69 5.18 -1.11 3.53 0.15 -1.26 0.15 113.70 118.66 1pjz s SER 70 Ca -0.03 -2.38 -0.18 0.00 0.70 0.00 0.00 55.95 54.05 1pjz s SER 70 Cb -0.10 -1.82 0.11 0.00 -1.71 0.00 0.00 66.02 62.50 1pjz s SER 70 CO 0.02 -0.46 1.43 -1.10 1.20 0.00 0.00 173.24 174.33 1pjz s GLN 71 N 0.63 3.82 2.07 5.44 -1.52 0.15 -4.84 119.66 125.41 1pjz s GLN 71 Ca 0.12 -1.88 0.00 0.00 -1.95 0.00 0.00 55.36 51.65 1pjz s GLN 71 Cb -0.22 -5.21 0.00 0.00 -0.22 0.00 0.00 33.01 27.36 1pjz s GLN 71 CO -0.04 -1.99 0.00 0.41 -0.25 0.00 0.00 175.29 173.42 1pjz n GLY 72 N 5.45 0.20 0.66 3.09 0.00 -1.26 0.52 105.19 113.84 1pjz n GLY 72 Ca 0.35 0.67 0.04 0.00 0.00 0.00 0.00 46.02 47.09 1pjz n GLY 72 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pjz n ASP 73 N 3.42 2.31 -4.28 1.61 2.03 -1.26 -5.02 116.55 115.37 1pjz n ASP 73 Ca 0.00 -3.58 -0.15 0.00 0.52 0.00 0.00 54.79 51.58 1pjz n ASP 73 Cb 0.00 -0.54 -0.10 0.00 -0.72 0.00 0.00 41.12 39.76 1pjz n ASP 73 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1pjz s PHE 74 N -3.11 1.40 0.23 -0.67 0.08 0.18 -5.02 117.98 111.07 1pjz s PHE 74 Ca 0.39 -1.22 0.11 0.00 0.12 0.00 0.00 56.93 56.32 1pjz s PHE 74 Cb 0.36 -0.78 -0.05 0.00 -0.57 0.00 0.00 43.02 41.97 1pjz s PHE 74 CO -0.01 -0.41 -0.20 0.21 -0.10 0.00 0.00 175.22 174.70 1pjz s LYS 75 N -4.06 1.53 -0.28 0.44 2.20 -1.26 0.30 119.74 118.61 1pjz s LYS 75 Ca 0.37 -1.62 -0.03 0.00 -0.36 0.00 0.00 55.97 54.32 1pjz s LYS 75 Cb 0.07 -1.65 0.11 0.00 -1.51 0.00 0.00 37.83 34.85 1pjz s LYS 75 CO 0.12 0.32 0.16 0.08 -0.36 0.00 0.00 175.35 175.68 1pjz s VAL 76 N -2.25 -0.14 -0.49 4.02 1.01 0.12 -1.44 120.40 121.23 1pjz s VAL 76 Ca 0.24 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 1pjz s VAL 76 Cb -0.05 -0.96 0.11 0.00 0.00 0.00 0.00 36.38 35.47 1pjz s VAL 76 CO 0.11 -0.65 0.39 -0.47 0.00 0.00 0.00 175.10 174.48 1pjz s TYR 77 N 2.16 3.32 -0.17 5.22 6.14 0.40 -0.23 117.35 134.19 1pjz s TYR 77 Ca 0.09 -1.46 -0.08 0.00 0.64 0.00 0.00 57.07 56.26 1pjz s TYR 77 Cb -0.16 -3.46 -0.04 0.00 0.42 0.00 0.00 41.96 38.72 1pjz s TYR 77 CO -0.35 -0.95 0.08 0.00 0.64 0.00 0.00 175.55 174.98 1pjz s ALA 78 N 1.50 3.52 0.23 3.97 0.00 -0.56 -0.76 121.76 129.66 1pjz s ALA 78 Ca 0.04 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.35 1pjz s ALA 78 Cb -0.27 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 1pjz s ALA 78 CO 0.02 0.25 0.10 0.00 0.00 0.00 0.00 175.76 176.12 1pjz s ALA 79 N 0.14 3.39 -0.41 0.00 0.00 -1.25 -1.36 121.76 122.28 1pjz s ALA 79 Ca 0.06 -1.44 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 1pjz s ALA 79 Cb -0.12 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1pjz s ALA 79 CO 0.00 0.34 1.41 -1.25 0.00 0.00 0.00 175.76 176.26 1pjz s PRO 80 N -3.52 3.59 0.00 0.00 0.04 -1.26 -3.43 135.00 130.42 1pjz s PRO 80 Ca 0.31 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1pjz s PRO 80 Cb -0.08 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1pjz s PRO 80 CO 0.22 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 176.12 1pjz n GLY 81 N 5.04 3.25 3.79 0.56 0.00 -1.26 -5.07 105.19 111.50 1pjz n GLY 81 Ca 0.16 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 1pjz n GLY 81 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pjz s ILE 82 N 0.00 4.92 -0.58 -0.61 -1.16 -1.22 -4.92 121.20 117.63 1pjz s ILE 82 Ca 0.00 -0.13 -0.03 0.00 -0.51 0.00 0.00 60.65 59.97 1pjz s ILE 82 Cb 0.00 -3.17 0.17 0.00 0.61 0.00 0.00 42.46 40.07 1pjz s ILE 82 CO 0.00 0.51 2.50 1.21 -2.81 0.00 0.00 174.94 176.35 1pjz n GLU 83 N 1.72 2.50 -3.91 3.50 2.13 0.18 -3.77 120.64 122.99 1pjz n GLU 83 Ca -0.17 -2.73 -0.36 0.00 0.66 0.00 0.00 57.16 54.57 1pjz n GLU 83 Cb 0.54 -2.17 -0.12 0.00 0.27 0.00 0.00 31.44 29.95 1pjz n GLU 83 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1pjz s ILE 84 N -3.22 4.20 -0.47 6.31 -1.09 -1.26 -1.35 121.20 124.32 1pjz s ILE 84 Ca 0.56 -0.22 -0.11 0.00 -2.23 0.00 0.00 60.65 58.66 1pjz s ILE 84 Cb 0.40 -2.93 0.11 0.00 -1.58 0.00 0.00 42.46 38.46 1pjz s ILE 84 CO -0.28 0.39 0.35 -1.66 -1.23 0.00 0.00 174.94 172.51 1pjz s TRP 85 N 1.24 3.37 0.05 3.97 1.48 0.12 -3.74 118.94 125.42 1pjz s TRP 85 Ca 0.04 -1.64 -0.31 0.00 -1.06 0.00 0.00 56.10 53.13 1pjz s TRP 85 Cb -0.15 -3.40 -0.06 0.00 -1.16 0.00 0.00 33.47 28.70 1pjz s TRP 85 CO 0.02 -0.95 1.38 0.00 -4.06 0.00 0.00 176.95 173.34 1pjz n GLY 87 N 3.56 -0.03 3.36 0.00 0.00 0.13 -0.45 105.19 111.75 1pjz n GLY 87 Ca 0.12 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 1pjz n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pjz s ASP 88 N -4.00 2.28 -0.37 1.61 2.15 -0.52 -1.00 116.67 116.81 1pjz s ASP 88 Ca 0.00 -1.15 -0.07 0.00 0.43 0.00 0.00 52.55 51.76 1pjz s ASP 88 Cb 0.00 -0.08 0.05 0.00 -0.30 0.00 0.00 42.92 42.59 1pjz s ASP 88 CO 0.00 -0.37 0.17 0.12 -0.17 0.00 0.00 175.17 174.91 1pjz s PHE 89 N -3.19 3.30 0.00 -5.34 2.19 -1.26 -4.63 117.98 109.05 1pjz s PHE 89 Ca 0.26 -1.47 0.00 0.00 0.33 0.00 0.00 56.93 56.05 1pjz s PHE 89 Cb 0.04 -2.55 0.00 0.00 -1.31 0.00 0.00 43.02 39.20 1pjz s PHE 89 CO 0.08 -0.77 0.00 1.19 1.83 0.00 0.00 175.22 177.55 1pjz n PHE 90 N 4.85 0.00 -2.07 10.12 3.72 -1.26 -5.01 117.46 127.80 1pjz n PHE 90 Ca -0.11 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.28 1pjz n PHE 90 Cb 0.44 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.97 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pjz n ALA 91 N 0.00 2.44 -2.71 4.37 0.00 -1.26 -5.08 120.51 118.27 1pjz n ALA 91 Ca 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 53.44 52.62 1pjz n ALA 91 Cb 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.09 1pjz n ALA 91 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1pjz s LEU 92 N 0.00 1.07 -0.47 0.00 -0.00 -1.26 -5.12 118.68 112.90 1pjz s LEU 92 Ca 0.05 -0.53 -0.11 0.00 -0.00 0.00 0.00 54.13 53.53 1pjz s LEU 92 Cb 0.05 1.31 0.11 0.00 -0.00 0.00 0.00 46.19 47.66 1pjz s LEU 92 CO -0.02 -0.77 0.36 0.42 -0.00 0.00 0.00 176.35 176.33 1pjz s THR 93 N -3.83 4.48 0.44 5.48 -4.23 -1.26 -4.91 115.64 111.82 1pjz s THR 93 Ca 0.04 -1.58 0.31 0.00 -1.18 0.00 0.00 61.69 59.28 1pjz s THR 93 Cb 0.04 -3.87 0.31 0.00 1.34 0.00 0.00 72.50 70.32 1pjz s THR 93 CO -0.11 -0.71 1.93 0.00 -0.54 0.00 0.00 174.62 175.18 1pjz h ALA 94 N 8.55 1.16 0.17 3.99 0.00 -1.91 0.27 119.26 131.49 1pjz h ALA 94 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.33 1pjz h ALA 94 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1pjz h ALA 94 CO 0.87 -0.16 -1.70 0.07 0.00 0.00 0.00 179.25 178.33 1pjz h ARG 95 N 0.00 0.35 -0.61 0.00 0.11 0.80 0.39 114.38 115.43 1pjz h ARG 95 Ca 0.00 -0.61 -0.06 0.00 0.10 0.00 0.00 59.98 59.42 1pjz h ARG 95 Cb 0.35 0.23 -0.03 0.00 1.11 0.00 0.00 29.97 31.63 1pjz h ARG 95 CO 0.00 1.26 0.16 0.22 0.10 0.00 0.00 179.97 181.71 1pjz h ASP 96 N 0.10 0.91 0.08 0.08 1.82 -0.79 0.20 116.42 118.81 1pjz h ASP 96 Ca -0.32 -0.23 -0.20 0.00 -0.39 0.00 0.00 57.03 55.89 1pjz h ASP 96 Cb 2.08 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 41.85 1pjz h ASP 96 CO 0.17 0.90 -1.01 0.16 -1.61 0.00 0.00 179.24 177.85 1pjz h ILE 97 N 0.88 1.24 0.03 2.25 -0.00 -1.30 -3.39 117.51 117.22 1pjz h ILE 97 Ca 0.19 -2.38 0.00 0.00 -0.00 0.00 0.00 64.86 62.68 1pjz h ILE 97 Cb 0.33 2.85 -0.00 0.00 -0.00 0.00 0.00 36.82 40.00 1pjz h ILE 97 CO -0.00 0.62 -0.06 1.23 -0.00 0.00 0.00 178.15 179.94 1pjz h GLY 98 N -0.40 -1.08 0.00 0.16 0.00 -0.20 -3.42 103.07 98.13 1pjz h GLY 98 Ca -0.23 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1pjz h GLY 98 CO 0.02 -0.39 0.00 1.42 0.00 0.00 0.00 176.54 177.58 1pjz n HIS 99 N -2.76 0.00 -4.15 5.60 8.25 0.05 -3.98 115.22 118.24 1pjz n HIS 99 Ca -0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.26 1pjz n HIS 99 Cb 0.05 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.00 1pjz n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pjz n ALA 101 N 3.75 0.00 -3.29 0.00 0.00 -0.09 -1.79 120.51 119.09 1pjz n ALA 101 Ca -0.23 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.25 1pjz n ALA 101 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 1pjz n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz n ALA 102 N -0.59 -0.96 -3.40 0.00 0.00 -0.74 -0.74 120.51 114.07 1pjz n ALA 102 Ca 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 1pjz n ALA 102 Cb 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 1pjz n ALA 102 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1pjz s PHE 103 N -3.73 -0.51 -0.14 0.00 5.36 -0.30 -0.67 117.98 117.99 1pjz s PHE 103 Ca 0.08 0.74 0.01 0.00 -0.96 0.00 0.00 56.93 56.80 1pjz s PHE 103 Cb -0.01 0.35 0.02 0.00 -0.34 0.00 0.00 43.02 43.04 1pjz s PHE 103 CO 0.01 -0.61 -0.17 -0.47 -1.46 0.00 0.00 175.22 172.52 1pjz s TYR 104 N -1.79 2.29 0.17 10.12 5.04 0.16 0.34 117.35 133.67 1pjz s TYR 104 Ca -0.09 -1.20 0.08 0.00 -2.44 0.00 0.00 57.07 53.42 1pjz s TYR 104 Cb -0.01 -1.62 -0.04 0.00 0.35 0.00 0.00 41.96 40.63 1pjz s TYR 104 CO 0.04 -0.61 -0.06 0.34 -1.34 0.00 0.00 175.55 173.92 1pjz s ASP 105 N 1.15 4.46 0.45 4.32 -1.08 -0.50 -3.89 116.67 121.58 1pjz s ASP 105 Ca -0.01 -0.48 0.07 0.00 -0.52 0.00 0.00 52.55 51.60 1pjz s ASP 105 Cb -0.14 -0.84 -0.02 0.00 -1.46 0.00 0.00 42.92 40.46 1pjz s ASP 105 CO -0.06 0.11 0.32 0.00 0.52 0.00 0.00 175.17 176.06 1pjz s ARG 106 N -2.77 2.37 -0.52 4.34 1.70 -1.26 -0.93 118.95 121.88 1pjz s ARG 106 Ca 0.25 -1.75 -0.27 0.00 -0.47 0.00 0.00 55.73 53.49 1pjz s ARG 106 Cb -0.09 -2.19 -0.08 0.00 -0.57 0.00 0.00 34.95 32.02 1pjz s ARG 106 CO 0.16 -0.27 2.43 0.00 -1.08 0.00 0.00 175.30 176.54 1pjz n ALA 107 N -1.51 0.80 0.00 7.88 0.00 0.20 -4.52 120.51 123.38 1pjz n ALA 107 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1pjz n ALA 107 Cb 0.63 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.99 1pjz n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz n ALA 108 N 15.08 2.31 0.67 0.00 0.00 -1.26 -4.71 120.51 132.60 1pjz n ALA 108 Ca 0.39 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.91 1pjz n ALA 108 Cb 0.49 0.29 0.38 0.00 0.00 0.00 0.00 19.45 20.60 1pjz n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz n MET 109 N -2.29 0.14 0.01 0.00 0.00 -1.26 -1.40 117.12 112.32 1pjz n MET 109 Ca 0.00 0.17 0.12 0.00 0.00 0.00 0.00 57.70 58.00 1pjz n MET 109 Cb 0.29 -1.50 0.30 0.00 0.00 0.00 0.00 33.22 32.31 1pjz n MET 109 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1pjz n ILE 110 N -1.36 0.08 -0.11 3.17 -6.64 -1.26 -4.07 119.36 109.16 1pjz n ILE 110 Ca 0.06 -0.06 -0.22 0.00 -1.77 0.00 0.00 62.75 60.76 1pjz n ILE 110 Cb 0.15 0.03 -0.09 0.00 -1.44 0.00 0.00 39.64 38.29 1pjz n ILE 110 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1pjz n ALA 111 N -1.57 1.50 -1.56 -1.28 0.00 -0.49 0.25 120.51 117.36 1pjz n ALA 111 Ca 0.05 -0.93 -0.30 0.00 0.00 0.00 0.00 53.44 52.26 1pjz n ALA 111 Cb 0.36 0.14 0.08 0.00 0.00 0.00 0.00 19.45 20.03 1pjz n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pjz s LEU 112 N -6.97 2.68 0.00 0.00 1.02 -0.90 -4.93 118.68 109.57 1pjz s LEU 112 Ca -0.32 1.34 0.00 0.00 0.02 0.00 0.00 54.13 55.18 1pjz s LEU 112 Cb 0.11 -4.00 0.00 0.00 0.02 0.00 0.00 46.19 42.32 1pjz s LEU 112 CO 0.44 -1.89 0.00 -0.81 0.02 0.00 0.00 176.35 174.11 1pjz n PRO 113 N -3.38 0.82 -0.08 1.29 -0.04 -1.26 -4.81 135.00 127.53 1pjz n PRO 113 Ca 0.07 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.34 1pjz n PRO 113 Cb 0.56 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.90 1pjz n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pjz h ALA 114 N -2.00 0.16 0.51 0.55 0.00 -1.97 -2.92 119.26 113.58 1pjz h ALA 114 Ca 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 54.91 53.96 1pjz h ALA 114 Cb 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1pjz h ALA 114 CO 0.00 0.45 -0.46 0.22 0.00 0.00 0.00 179.25 179.45 1pjz h ASP 115 N -0.95 -1.25 -0.09 0.00 3.58 -1.98 0.57 116.42 116.30 1pjz h ASP 115 Ca -0.21 0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.37 1pjz h ASP 115 Cb 1.22 0.40 -0.06 0.00 1.72 0.00 0.00 39.33 42.61 1pjz h ASP 115 CO -0.11 -0.63 -0.38 -0.03 -2.88 0.00 0.00 179.24 175.21 1pjz h MET 116 N -0.96 -0.46 -0.94 0.28 4.05 -1.96 0.14 114.93 115.07 1pjz h MET 116 Ca -0.07 0.03 0.15 0.00 -0.28 0.00 0.00 59.70 59.54 1pjz h MET 116 Cb 0.82 0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 31.64 1pjz h MET 116 CO -0.03 -0.31 0.60 0.00 0.23 0.00 0.00 176.91 177.40 1pjz h ARG 117 N -0.48 0.73 -0.65 0.39 2.47 -1.36 0.20 114.38 115.68 1pjz h ARG 117 Ca 0.07 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1pjz h ARG 117 Cb 0.60 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.72 1pjz h ARG 117 CO -0.35 0.48 0.41 0.93 0.56 0.00 0.00 179.97 182.00 1pjz h GLU 118 N 0.75 0.87 0.00 0.04 5.08 0.20 0.41 114.58 121.94 1pjz h GLU 118 Ca 0.49 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.72 1pjz h GLU 118 Cb 0.74 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1pjz h GLU 118 CO -0.25 0.61 -0.27 0.00 -1.00 0.00 0.00 179.01 178.09 1pjz h ARG 119 N 0.88 0.00 0.07 2.33 2.47 0.65 -1.46 114.38 119.33 1pjz h ARG 119 Ca 0.24 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.79 1pjz h ARG 119 Cb -0.05 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.28 1pjz h ARG 119 CO -0.05 0.27 -0.69 -0.92 0.56 0.00 0.00 179.97 179.15 1pjz h TYR 120 N 0.00 0.56 -0.41 3.04 5.03 0.40 -0.77 116.97 124.82 1pjz h TYR 120 Ca -0.00 -0.35 -0.08 0.00 2.58 0.00 0.00 58.73 60.87 1pjz h TYR 120 Cb 0.86 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.09 1pjz h TYR 120 CO 0.00 1.22 -0.06 -0.39 -1.32 0.00 0.00 178.16 177.61 1pjz h VAL 121 N -0.25 1.27 -0.18 1.81 -1.51 -0.19 0.24 116.25 117.44 1pjz h VAL 121 Ca -0.11 -1.13 -0.03 0.00 -1.23 0.00 0.00 66.70 64.21 1pjz h VAL 121 Cb 1.46 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 31.78 1pjz h VAL 121 CO 0.13 0.38 0.01 0.06 -1.23 0.00 0.00 177.57 176.92 1pjz h GLN 122 N 0.59 0.30 -0.33 5.19 3.07 -1.36 0.21 115.11 122.78 1pjz h GLN 122 Ca 0.11 -0.09 -0.04 0.00 0.09 0.00 0.00 58.65 58.71 1pjz h GLN 122 Cb 0.57 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.08 1pjz h GLN 122 CO 0.03 0.50 0.01 0.45 0.09 0.00 0.00 178.83 179.91 1pjz h HIS 123 N 0.07 0.52 0.54 0.06 3.86 -1.06 0.30 115.15 119.44 1pjz h HIS 123 Ca 0.05 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1pjz h HIS 123 Cb 0.36 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.68 1pjz h HIS 123 CO 0.03 0.50 -0.26 1.25 0.86 0.00 0.00 177.93 180.31 1pjz h LEU 124 N 0.49 -0.62 -2.00 2.43 7.12 -0.22 -0.84 115.31 121.67 1pjz h LEU 124 Ca 0.11 0.02 0.13 0.00 0.13 0.00 0.00 57.88 58.27 1pjz h LEU 124 Cb 0.30 0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.57 1pjz h LEU 124 CO 0.01 -0.23 0.43 1.05 -0.13 0.00 0.00 178.44 179.57 1pjz h GLU 125 N -1.14 0.00 -0.01 1.25 -0.00 -0.50 2.61 114.58 116.79 1pjz h GLU 125 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.27 1pjz h GLU 125 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.31 1pjz h GLU 125 CO 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 179.01 179.08 1pjz h ALA 126 N 1.55 0.03 -0.01 1.06 0.00 -0.80 -3.09 119.26 118.01 1pjz h ALA 126 Ca 0.21 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1pjz h ALA 126 Cb 1.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1pjz h ALA 126 CO -0.00 -0.12 -0.09 1.47 0.00 0.00 0.00 179.25 180.52 1pjz n LEU 127 N -4.72 0.63 -4.49 0.00 -0.00 0.23 -4.89 117.00 103.76 1pjz n LEU 127 Ca -0.09 -0.11 -0.29 0.00 -0.00 0.00 0.00 56.01 55.52 1pjz n LEU 127 Cb 0.35 -0.12 0.25 0.00 -0.00 0.00 0.00 43.42 43.90 1pjz n LEU 127 CO 0.35 0.11 0.53 -0.04 -0.00 0.00 0.00 177.39 178.34 1pjz s MET 128 N -2.32 -1.50 0.00 1.47 -1.94 0.85 0.12 119.30 115.99 1pjz s MET 128 Ca 0.33 0.28 0.00 0.00 -1.71 0.00 0.00 55.69 54.59 1pjz s MET 128 Cb 0.20 -1.53 0.00 0.00 2.01 0.00 0.00 34.83 35.51 1pjz s MET 128 CO 0.44 -3.97 0.00 -0.35 -0.01 0.00 0.00 175.02 171.13 1pjz n PRO 129 N -5.01 1.11 -0.06 2.03 -0.04 -1.24 -3.96 135.00 127.83 1pjz n PRO 129 Ca 0.09 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.47 1pjz n PRO 129 Cb 0.58 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.98 1pjz n PRO 129 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1pjz n GLN 130 N 0.00 0.41 -3.46 0.54 7.27 -0.97 -4.89 117.38 116.28 1pjz n GLN 130 Ca 0.00 0.07 -0.26 0.00 0.07 0.00 0.00 57.00 56.88 1pjz n GLN 130 Cb 0.00 -1.25 -0.12 0.00 2.41 0.00 0.00 30.24 31.28 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pjz s ALA 131 N -2.25 0.53 -0.10 1.69 0.00 -0.74 -4.11 121.76 116.77 1pjz s ALA 131 Ca -0.16 -1.39 -0.16 0.00 0.00 0.00 0.00 51.96 50.24 1pjz s ALA 131 Cb 0.04 -1.63 0.04 0.00 0.00 0.00 0.00 23.12 21.58 1pjz s ALA 131 CO 0.30 -1.96 0.40 0.00 0.00 0.00 0.00 175.76 174.50 1pjz s SER 133 N -0.40 6.25 0.21 0.00 1.04 0.08 0.51 113.70 121.40 1pjz s SER 133 Ca -0.05 -0.68 -0.22 0.00 0.48 0.00 0.00 55.95 55.48 1pjz s SER 133 Cb -0.03 -2.29 -0.08 0.00 0.10 0.00 0.00 66.02 63.71 1pjz s SER 133 CO 0.03 -0.82 0.75 -0.83 0.98 0.00 0.00 173.24 173.35 1pjz s GLY 134 N 2.34 2.72 -0.31 7.32 0.00 0.20 -1.15 107.32 118.43 1pjz s GLY 134 Ca 0.17 0.25 -0.00 0.00 0.00 0.00 0.00 44.72 45.14 1pjz s GLY 134 CO 0.15 0.66 0.08 -2.27 0.00 0.00 0.00 173.10 171.72 1pjz s LEU 135 N -1.71 2.62 -0.02 0.66 2.96 0.15 0.27 118.68 123.61 1pjz s LEU 135 Ca 0.41 -1.68 -0.27 0.00 -0.22 0.00 0.00 54.13 52.36 1pjz s LEU 135 Cb -0.19 -0.99 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 1pjz s LEU 135 CO 0.23 -0.40 0.86 -0.22 -1.32 0.00 0.00 176.35 175.49 1pjz s LEU 136 N 1.50 4.35 -0.32 -0.68 2.96 -0.12 -1.41 118.68 124.96 1pjz s LEU 136 Ca 0.09 1.46 -0.01 0.00 -0.22 0.00 0.00 54.13 55.45 1pjz s LEU 136 Cb -0.18 -3.36 0.07 0.00 0.50 0.00 0.00 46.19 43.22 1pjz s LEU 136 CO -0.21 -0.19 0.03 -0.63 -1.32 0.00 0.00 176.35 174.03 1pjz s ILE 137 N 0.88 2.89 0.43 6.68 -1.09 -0.11 -1.13 121.20 129.74 1pjz s ILE 137 Ca 0.46 -1.63 0.05 0.00 -2.23 0.00 0.00 60.65 57.30 1pjz s ILE 137 Cb -0.20 -2.77 -0.06 0.00 -1.58 0.00 0.00 42.46 37.85 1pjz s ILE 137 CO 0.24 -0.25 0.01 0.42 -1.23 0.00 0.00 174.94 174.13 1pjz s THR 138 N 1.18 1.70 0.30 2.92 -4.23 0.15 0.63 115.64 118.28 1pjz s THR 138 Ca -0.02 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.54 1pjz s THR 138 Cb -0.20 -2.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.84 1pjz s THR 138 CO -0.03 0.00 0.22 -0.76 -0.54 0.00 0.00 174.62 173.51 1pjz s LEU 139 N -3.73 1.59 0.00 4.79 2.01 -1.26 -0.05 118.68 122.03 1pjz s LEU 139 Ca 0.28 -1.64 0.00 0.00 0.01 0.00 0.00 54.13 52.78 1pjz s LEU 139 Cb 0.08 0.45 0.00 0.00 0.01 0.00 0.00 46.19 46.72 1pjz s LEU 139 CO 0.14 -0.98 0.00 1.21 1.01 0.00 0.00 176.35 177.73 1pjz n GLU 140 N -0.54 0.00 0.00 1.70 2.13 -0.15 -3.56 120.64 120.22 1pjz n GLU 140 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1pjz n GLU 140 Cb 0.64 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.35 1pjz n GLU 140 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1pjz n TYR 141 N -0.95 0.00 -0.40 4.31 4.02 -1.26 -4.43 117.16 118.45 1pjz n TYR 141 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1pjz n TYR 141 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 1pjz n TYR 141 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1pjz n ASP 142 N -0.55 -0.34 0.00 7.72 5.75 -1.26 -4.67 116.55 123.20 1pjz n ASP 142 Ca 0.00 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.11 1pjz n ASP 142 Cb 0.00 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1pjz n ASP 142 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pjz n GLN 143 N 0.30 0.00 -2.56 0.11 10.64 -1.26 -4.03 117.38 120.57 1pjz n GLN 143 Ca 0.05 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 55.01 1pjz n GLN 143 Cb 0.07 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.46 1pjz n GLN 143 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pjz n ALA 144 N 0.00 4.53 0.00 2.61 0.00 -1.26 -4.41 120.51 121.98 1pjz n ALA 144 Ca 0.00 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.45 1pjz n ALA 144 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1pjz n ALA 144 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1pjz n LEU 145 N -0.34 0.00 -4.88 0.00 -0.00 -1.26 -5.14 117.00 105.38 1pjz n LEU 145 Ca 0.30 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.99 1pjz n LEU 145 Cb 0.69 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 44.06 1pjz n LEU 145 CO 0.31 0.00 0.20 -0.22 -0.00 0.00 0.00 177.39 177.68 1pjz s LEU 146 N 0.00 4.16 -0.49 1.47 0.20 -1.26 -4.82 118.68 117.94 1pjz s LEU 146 Ca 0.00 0.88 -0.27 0.00 0.69 0.00 0.00 54.13 55.43 1pjz s LEU 146 Cb 0.00 -3.64 -0.04 0.00 -0.43 0.00 0.00 46.19 42.07 1pjz s LEU 146 CO 0.00 -0.08 2.10 -1.83 -0.29 0.00 0.00 176.35 176.26 1pjz s GLU 147 N -2.89 2.56 0.00 1.98 4.04 -1.26 -4.45 118.70 118.69 1pjz s GLU 147 Ca 0.47 1.18 0.00 0.00 0.04 0.00 0.00 54.97 56.66 1pjz s GLU 147 Cb -0.11 -4.44 0.00 0.00 0.02 0.00 0.00 34.13 29.60 1pjz s GLU 147 CO 0.22 -2.77 0.00 0.41 -1.84 0.00 0.00 175.26 171.29 1pjz n GLY 148 N 5.79 -1.04 3.62 -3.83 0.00 -1.26 -4.94 105.19 103.53 1pjz n GLY 148 Ca 0.28 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1pjz n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pjz s PRO 149 N -3.80 3.80 0.17 1.61 0.04 -1.26 -4.71 135.00 130.85 1pjz s PRO 149 Ca 0.00 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 1pjz s PRO 149 Cb 0.00 -3.94 -0.08 0.00 0.04 0.00 0.00 34.50 30.53 1pjz s PRO 149 CO 0.00 -1.27 1.12 -1.25 0.04 0.00 0.00 177.00 175.64 1pjz s PRO 150 N 4.45 4.57 -0.10 0.56 0.04 -1.24 -4.26 135.00 139.02 1pjz s PRO 150 Ca 0.59 1.75 0.08 0.00 0.04 0.00 0.00 61.00 63.46 1pjz s PRO 150 Cb -0.16 -3.27 0.40 0.00 0.04 0.00 0.00 34.50 31.50 1pjz s PRO 150 CO 0.27 0.03 1.15 0.34 0.04 0.00 0.00 177.00 178.83 1pjz n PHE 151 N 2.45 0.94 -4.24 0.56 7.35 0.71 -4.88 117.46 120.34 1pjz n PHE 151 Ca 0.03 -0.34 -0.30 0.00 -0.76 0.00 0.00 57.45 56.08 1pjz n PHE 151 Cb 0.46 -0.25 -0.08 0.00 0.35 0.00 0.00 39.48 39.96 1pjz n PHE 151 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1pjz n SER 152 N 0.37 0.63 -4.29 -2.13 3.41 -1.23 -4.59 113.62 105.78 1pjz n SER 152 Ca 0.14 -1.23 -0.61 0.00 -0.26 0.00 0.00 58.87 56.91 1pjz n SER 152 Cb 0.65 -1.89 -0.11 0.00 -0.26 0.00 0.00 64.21 62.60 1pjz n SER 152 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1pjz n VAL 153 N -4.56 0.00 -2.45 -3.33 3.14 -1.26 -4.81 118.33 105.06 1pjz n VAL 153 Ca -0.32 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.64 1pjz n VAL 153 Cb 0.70 -0.48 -0.03 0.00 -1.06 0.00 0.00 33.84 32.97 1pjz n VAL 153 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1pjz s PRO 154 N 4.60 4.40 0.53 1.45 0.04 -1.26 -4.88 135.00 139.88 1pjz s PRO 154 Ca 1.10 1.71 0.43 0.00 0.04 0.00 0.00 61.00 64.27 1pjz s PRO 154 Cb -1.44 -3.45 1.62 0.00 0.04 0.00 0.00 34.50 31.27 1pjz s PRO 154 CO 0.70 -0.33 1.65 0.37 0.04 0.00 0.00 177.00 179.43 1pjz h GLN 155 N 7.11 0.02 -0.86 4.56 -0.00 -1.97 1.67 115.11 125.65 1pjz h GLN 155 Ca -0.38 -0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.32 1pjz h GLN 155 Cb 1.19 -0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.61 1pjz h GLN 155 CO 0.84 0.01 0.56 0.00 0.00 0.00 0.00 178.83 180.24 1pjz h THR 156 N 0.02 1.07 0.70 2.39 1.03 -1.97 0.21 112.91 116.37 1pjz h THR 156 Ca 0.81 -0.33 -0.03 0.00 -0.01 0.00 0.00 66.41 66.84 1pjz h THR 156 Cb 3.10 0.01 0.01 0.00 -1.07 0.00 0.00 68.15 70.20 1pjz h THR 156 CO -0.08 0.18 -0.34 -0.25 -0.01 0.00 0.00 175.52 175.02 1pjz h TRP 157 N 0.97 -0.88 -0.66 0.00 7.01 0.21 0.61 115.95 123.22 1pjz h TRP 157 Ca 0.36 -0.02 0.19 0.00 2.11 0.00 0.00 58.89 61.53 1pjz h TRP 157 Cb 0.19 0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 27.51 1pjz h TRP 157 CO -0.00 -0.52 0.55 -0.07 -2.79 0.00 0.00 178.44 175.61 1pjz h LEU 158 N -1.18 0.00 0.00 0.65 3.38 -1.37 1.89 115.31 118.69 1pjz h LEU 158 Ca -0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1pjz h LEU 158 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1pjz h LEU 158 CO 0.16 0.00 -0.59 -0.74 0.09 0.00 0.00 178.44 177.36 1pjz h HIS 159 N 0.00 0.00 0.08 1.13 2.76 -0.06 0.56 115.15 119.63 1pjz h HIS 159 Ca 0.31 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.20 1pjz h HIS 159 Cb 1.41 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.36 1pjz h HIS 159 CO 0.00 0.13 -1.45 0.07 -1.30 0.00 0.00 177.93 175.38 1pjz h ARG 160 N 0.00 0.18 0.00 5.26 0.11 0.84 -3.33 114.38 117.45 1pjz h ARG 160 Ca -0.02 -0.31 0.00 0.00 0.10 0.00 0.00 59.98 59.75 1pjz h ARG 160 Cb 1.12 0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1pjz h ARG 160 CO 0.01 1.03 -0.20 1.55 0.10 0.00 0.00 179.97 182.46 1pjz n VAL 161 N -3.39 0.90 0.00 0.08 3.14 0.17 -4.58 118.33 114.65 1pjz n VAL 161 Ca -0.13 0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 1pjz n VAL 161 Cb 1.03 -1.60 0.00 0.00 -1.06 0.00 0.00 33.84 32.20 1pjz n VAL 161 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1pjz n MET 162 N -3.38 0.00 -3.13 1.45 2.81 0.18 -4.24 117.12 110.81 1pjz n MET 162 Ca -0.03 0.00 -0.45 0.00 -1.81 0.00 0.00 57.70 55.41 1pjz n MET 162 Cb 0.11 -1.17 -0.04 0.00 -0.71 0.00 0.00 33.22 31.40 1pjz n MET 162 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pjz s SER 163 N -1.75 6.29 0.00 7.83 0.15 -0.12 -4.25 113.70 121.85 1pjz s SER 163 Ca 0.00 -1.66 0.00 0.00 0.70 0.00 0.00 55.95 54.99 1pjz s SER 163 Cb 0.00 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1pjz s SER 163 CO 0.00 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 174.02 1pjz n GLY 164 N 5.15 -0.88 0.00 9.45 0.00 -1.26 -4.94 105.19 112.71 1pjz n GLY 164 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1pjz n GLY 164 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pjz n ASN 165 N 0.00 0.00 -3.82 1.61 5.03 -1.26 -5.10 115.26 111.72 1pjz n ASN 165 Ca 0.00 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.33 1pjz n ASN 165 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 38.65 1pjz n ASN 165 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 1pjz s TRP 166 N 0.00 -0.12 -0.72 3.10 -2.14 -1.26 -1.04 118.94 116.76 1pjz s TRP 166 Ca 0.00 0.26 -0.15 0.00 2.66 0.00 0.00 56.10 58.87 1pjz s TRP 166 Cb 0.00 0.03 0.18 0.00 -3.10 0.00 0.00 33.47 30.58 1pjz s TRP 166 CO 0.00 -0.22 0.70 -1.21 -2.66 0.00 0.00 176.95 173.56 1pjz s GLU 167 N -0.67 3.36 0.01 3.25 0.41 -0.07 -4.64 118.70 120.35 1pjz s GLU 167 Ca -0.08 -2.09 -0.29 0.00 -0.41 0.00 0.00 54.97 52.11 1pjz s GLU 167 Cb -0.04 -4.40 -0.04 0.00 -1.78 0.00 0.00 34.13 27.87 1pjz s GLU 167 CO 0.01 -1.35 0.92 0.08 -0.49 0.00 0.00 175.26 174.43 1pjz s VAL 168 N 0.98 4.83 0.08 2.63 1.01 -1.22 -0.26 120.40 128.45 1pjz s VAL 168 Ca 0.13 1.93 0.07 0.00 0.00 0.00 0.00 61.98 64.12 1pjz s VAL 168 Cb -0.17 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 1pjz s VAL 168 CO -0.04 0.21 -0.19 0.28 0.00 0.00 0.00 175.10 175.37 1pjz s THR 169 N 0.74 1.51 0.21 3.92 -1.32 0.14 -4.87 115.64 115.97 1pjz s THR 169 Ca 0.48 -1.37 -0.30 0.00 -1.21 0.00 0.00 61.69 59.29 1pjz s THR 169 Cb -0.21 -1.37 -0.10 0.00 -1.51 0.00 0.00 72.50 69.31 1pjz s THR 169 CO 0.26 -0.04 1.44 -0.75 -2.21 0.00 0.00 174.62 173.33 1pjz s LYS 170 N -1.65 4.28 0.17 7.08 2.20 -1.26 -0.76 119.74 129.80 1pjz s LYS 170 Ca 0.04 2.26 -0.24 0.00 -0.36 0.00 0.00 55.97 57.67 1pjz s LYS 170 Cb -0.10 -3.14 0.06 0.00 -1.51 0.00 0.00 37.83 33.14 1pjz s LYS 170 CO 0.03 -0.44 0.84 0.54 -0.36 0.00 0.00 175.35 175.97 1pjz s VAL 171 N 0.34 0.00 0.00 4.02 0.11 0.54 -4.83 120.40 120.59 1pjz s VAL 171 Ca 0.62 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1pjz s VAL 171 Cb -0.41 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.68 1pjz s VAL 171 CO 0.39 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.77 1pjz n GLY 172 N -0.43 0.68 0.00 6.54 0.00 -1.26 0.28 105.19 111.00 1pjz n GLY 172 Ca -0.07 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1pjz n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pjz n GLY 173 N 0.00 1.80 3.89 -0.02 0.00 -0.43 -4.93 105.19 105.50 1pjz n GLY 173 Ca 0.00 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 1pjz n GLY 173 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pjz s GLN 174 N -2.00 2.62 -1.31 1.61 -2.07 -1.26 -0.97 119.66 116.28 1pjz s GLN 174 Ca 0.00 -1.44 0.00 0.00 -1.82 0.00 0.00 55.36 52.10 1pjz s GLN 174 Cb 0.00 -2.45 0.00 0.00 -1.09 0.00 0.00 33.01 29.47 1pjz s GLN 174 CO 0.00 -0.14 0.00 -0.25 -1.32 0.00 0.00 175.29 173.58 1pjz n ASP 175 N -1.55 -3.49 -3.91 12.60 9.92 -1.23 -4.83 116.55 124.07 1pjz n ASP 175 Ca 0.03 0.29 -0.36 0.00 -0.53 0.00 0.00 54.79 54.22 1pjz n ASP 175 Cb 0.61 -3.21 -0.04 0.00 -0.64 0.00 0.00 41.12 37.84 1pjz n ASP 175 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1pjz n THR 176 N -2.15 3.64 -0.05 -3.53 5.66 -1.20 -4.84 114.28 111.81 1pjz n THR 176 Ca -0.13 -5.41 -0.10 0.00 -3.05 0.00 0.00 64.05 55.35 1pjz n THR 176 Cb 0.46 -2.22 -0.04 0.00 -1.55 0.00 0.00 70.33 66.98 1pjz n THR 176 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1pjz h LEU 177 N 5.37 0.25 -5.61 1.09 7.12 -1.89 -3.15 115.31 118.48 1pjz h LEU 177 Ca 0.19 -0.04 -0.49 0.00 0.13 0.00 0.00 57.88 57.66 1pjz h LEU 177 Cb 0.71 -0.06 0.02 0.00 -0.53 0.00 0.00 40.66 40.80 1pjz h LEU 177 CO 1.01 0.22 2.76 1.41 -0.13 0.00 0.00 178.44 183.71 1pjz n HIS 178 N -4.92 1.75 0.00 1.25 8.25 -1.26 -2.64 115.22 117.65 1pjz n HIS 178 Ca -0.03 -2.16 0.00 0.00 -0.26 0.00 0.00 57.72 55.27 1pjz n HIS 178 Cb 0.05 -1.85 0.00 0.00 1.12 0.00 0.00 29.99 29.31 1pjz n HIS 178 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pjz n SER 179 N 4.87 0.00 -4.78 0.41 2.88 -1.19 -4.98 113.62 110.83 1pjz n SER 179 Ca 0.51 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.67 1pjz n SER 179 Cb 0.21 0.17 -0.06 0.00 -0.75 0.00 0.00 64.21 63.78 1pjz n SER 179 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pjz s SER 180 N -1.44 6.84 -0.05 -3.46 0.15 -1.08 -3.97 113.70 110.69 1pjz s SER 180 Ca 0.00 0.99 -0.27 0.00 0.70 0.00 0.00 55.95 57.38 1pjz s SER 180 Cb 0.00 -2.30 -0.22 0.00 -1.71 0.00 0.00 66.02 61.79 1pjz s SER 180 CO 0.00 0.17 1.14 0.00 1.20 0.00 0.00 173.24 175.75 1pjz h ALA 181 N 5.54 -0.00 0.00 5.45 0.00 -1.96 -2.92 119.26 125.36 1pjz h ALA 181 Ca -0.46 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1pjz h ALA 181 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1pjz h ALA 181 CO 0.68 -0.19 0.41 0.00 0.00 0.00 0.00 179.25 180.15 1pjz h ARG 182 N -0.62 0.00 -0.19 0.00 3.08 -1.97 0.24 114.38 114.93 1pjz h ARG 182 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1pjz h ARG 182 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1pjz h ARG 182 CO 0.00 0.00 -0.02 0.78 -1.07 0.00 0.00 179.97 179.66 1pjz h GLY 183 N 0.00 0.38 1.42 0.04 0.00 -1.84 0.15 103.07 103.21 1pjz h GLY 183 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1pjz h GLY 183 CO 0.00 0.27 -0.45 1.41 0.00 0.00 0.00 176.54 177.77 1pjz h LEU 184 N 0.09 0.00 0.04 3.11 -0.00 -0.74 0.93 115.31 118.74 1pjz h LEU 184 Ca 0.05 -0.13 -0.00 0.00 -0.00 0.00 0.00 57.88 57.80 1pjz h LEU 184 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1pjz h LEU 184 CO 0.01 0.06 -0.02 0.50 -0.00 0.00 0.00 178.44 179.00 1pjz h LYS 185 N 0.00 -0.06 0.00 1.13 3.64 -0.71 -3.34 116.57 117.23 1pjz h LYS 185 Ca 0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.15 1pjz h LYS 185 Cb 0.78 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 1pjz h LYS 185 CO 0.00 0.59 -1.29 0.00 -2.27 0.00 0.00 179.45 176.47 1pjz h ALA 186 N -0.14 0.55 -1.23 5.00 0.00 -0.82 -3.49 119.26 119.13 1pjz h ALA 186 Ca -0.01 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1pjz h ALA 186 Cb 0.67 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1pjz h ALA 186 CO 0.01 1.36 0.00 0.41 0.00 0.00 0.00 179.25 181.03 1pjz n GLY 187 N 1.43 0.50 0.12 0.00 0.00 0.65 -4.84 105.19 103.06 1pjz n GLY 187 Ca -0.07 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 1pjz n GLY 187 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pjz h LEU 188 N 0.00 0.42 0.29 0.99 -0.00 0.44 -3.47 115.31 113.97 1pjz h LEU 188 Ca 0.00 -0.87 -0.12 0.00 -0.00 0.00 0.00 57.88 56.88 1pjz h LEU 188 Cb 0.41 -0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 40.88 1pjz h LEU 188 CO 0.00 1.60 -0.11 -0.62 -0.00 0.00 0.00 178.44 179.31 1pjz n GLU 189 N -3.92 -1.84 0.00 1.13 -0.58 -1.26 -4.69 120.64 109.47 1pjz n GLU 189 Ca -0.23 0.71 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 1pjz n GLU 189 Cb 0.91 -5.17 0.00 0.00 -0.57 0.00 0.00 31.44 26.60 1pjz n GLU 189 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1pjz n ARG 190 N 0.02 0.00 -3.54 3.49 1.85 -1.26 -4.96 116.66 112.25 1pjz n ARG 190 Ca -0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.63 1pjz n ARG 190 Cb 0.55 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.90 1pjz n ARG 190 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pjz s MET 191 N -0.01 0.91 0.06 2.89 0.23 -1.26 -4.80 119.30 117.32 1pjz s MET 191 Ca 0.00 0.29 -0.27 0.00 -1.03 0.00 0.00 55.69 54.68 1pjz s MET 191 Cb 0.00 0.43 -0.05 0.00 -1.53 0.00 0.00 34.83 33.68 1pjz s MET 191 CO 0.00 -0.27 0.84 0.34 -2.03 0.00 0.00 175.02 173.90 1pjz s ASP 192 N -1.03 7.31 -0.19 -1.18 2.15 -1.26 -3.20 116.67 119.26 1pjz s ASP 192 Ca -0.08 1.56 -0.01 0.00 0.43 0.00 0.00 52.55 54.46 1pjz s ASP 192 Cb -0.01 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1pjz s ASP 192 CO 0.07 -0.03 -0.13 -0.70 -0.17 0.00 0.00 175.17 174.20 1pjz s GLU 193 N 0.07 3.19 -0.22 4.34 2.12 -0.15 -0.98 118.70 127.07 1pjz s GLU 193 Ca 0.42 -0.73 -0.07 0.00 0.36 0.00 0.00 54.97 54.95 1pjz s GLU 193 Cb -0.21 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.40 1pjz s GLU 193 CO 0.25 -0.14 0.05 -1.01 -0.54 0.00 0.00 175.26 173.88 1pjz s HIS 194 N 1.22 3.11 0.11 5.30 3.76 0.93 -1.32 115.29 128.40 1pjz s HIS 194 Ca 0.02 -0.32 0.09 0.00 -0.15 0.00 0.00 55.06 54.71 1pjz s HIS 194 Cb -0.14 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 1pjz s HIS 194 CO -0.06 -0.22 -0.21 0.08 -0.85 0.00 0.00 174.74 173.48 1pjz s VAL 195 N 1.22 2.67 -0.08 -0.90 1.01 0.14 0.33 120.40 124.80 1pjz s VAL 195 Ca 0.04 -1.55 -0.03 0.00 0.00 0.00 0.00 61.98 60.45 1pjz s VAL 195 Cb -0.14 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.07 1pjz s VAL 195 CO 0.03 0.12 0.08 -0.31 0.00 0.00 0.00 175.10 175.02 1pjz s TYR 196 N -1.10 0.07 -0.62 5.22 2.02 -0.29 -0.34 117.35 122.31 1pjz s TYR 196 Ca 0.17 0.13 -0.25 0.00 -0.37 0.00 0.00 57.07 56.75 1pjz s TYR 196 Cb -0.10 -0.52 0.04 0.00 -0.40 0.00 0.00 41.96 40.98 1pjz s TYR 196 CO 0.09 -0.29 1.08 0.54 -1.57 0.00 0.00 175.55 175.39 1pjz s VAL 197 N 2.17 4.14 -0.48 0.71 0.11 0.06 -0.94 120.40 126.18 1pjz s VAL 197 Ca 0.04 0.34 -0.15 0.00 -2.93 0.00 0.00 61.98 59.28 1pjz s VAL 197 Cb -0.13 -4.69 0.09 0.00 -1.53 0.00 0.00 36.38 30.11 1pjz s VAL 197 CO -0.05 -1.40 0.40 -0.76 -3.33 0.00 0.00 175.10 169.96 1pjz s LEU 198 N 4.60 5.69 -0.70 2.54 1.02 0.14 0.29 118.68 132.27 1pjz s LEU 198 Ca 0.33 -1.46 -0.27 0.00 0.02 0.00 0.00 54.13 52.75 1pjz s LEU 198 Cb -0.11 -2.16 0.01 0.00 0.02 0.00 0.00 46.19 43.95 1pjz s LEU 198 CO 0.18 -0.68 1.51 -0.70 0.02 0.00 0.00 176.35 176.68 1pjz s GLU 199 N 1.60 2.97 -0.47 1.70 -6.30 0.65 0.59 118.70 119.43 1pjz s GLU 199 Ca 0.04 0.07 -0.27 0.00 -2.50 0.00 0.00 54.97 52.30 1pjz s GLU 199 Cb -0.25 -4.29 -0.03 0.00 0.00 0.00 0.00 34.13 29.56 1pjz s GLU 199 CO 0.05 -2.39 1.97 0.50 0.02 0.00 0.00 175.26 175.41 1pjz s ARG 200 N 6.24 2.78 0.00 4.30 3.00 0.18 -0.89 118.95 134.56 1pjz s ARG 200 Ca 0.48 1.11 0.31 0.00 -1.00 0.00 0.00 55.73 56.63 1pjz s ARG 200 Cb -0.10 -4.36 1.64 0.00 0.00 0.00 0.00 34.95 32.13 1pjz s ARG 200 CO 0.17 -2.52 2.08 1.33 0.00 0.00 0.00 175.30 176.36