#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 -1.40 6.02 -1.26 -4.77 117.38 115.97 1pjz n GLN 2 Ca 0.00 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 1pjz n GLN 2 Cb 0.00 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 29.87 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 -1.85 0.00 -3.41 1.08 7.64 -1.26 -3.94 113.62 111.88 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 0.73 -0.54 1.43 -1.05 -1.26 -5.03 118.70 112.99 1pjz s GLU 4 Ca 0.00 -1.71 0.05 0.00 -0.15 0.00 0.00 54.97 53.16 1pjz s GLU 4 Cb 0.00 -1.32 0.18 0.00 -0.44 0.00 0.00 34.13 32.55 1pjz s GLU 4 CO 0.00 -1.30 0.45 1.55 0.95 0.00 0.00 175.26 176.90 1pjz n VAL 5 N 3.43 0.16 -2.15 1.83 3.14 -1.25 -4.79 118.33 118.70 1pjz n VAL 5 Ca 0.21 -4.15 0.00 0.00 -2.96 0.00 0.00 64.34 57.44 1pjz n VAL 5 Cb 0.43 -1.91 0.00 0.00 -1.06 0.00 0.00 33.84 31.30 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 2.22 -4.51 -0.42 6.55 5.15 -0.58 -3.38 115.26 120.29 1pjz n ASN 6 Ca 0.25 0.39 0.34 0.00 -0.60 0.00 0.00 54.58 54.97 1pjz n ASN 6 Cb 0.43 -1.01 0.64 0.00 -0.53 0.00 0.00 39.78 39.31 1pjz n ASN 6 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 1pjz h LYS 7 N 3.16 0.15 0.02 1.20 5.09 -1.95 0.96 116.57 125.20 1pjz h LYS 7 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 60.65 60.73 1pjz h LYS 7 Cb 0.41 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 32.70 1pjz h LYS 7 CO 0.00 0.10 -0.01 -0.44 -2.09 0.00 0.00 179.45 177.01 1pjz h ASP 8 N 0.15 -0.02 0.23 7.07 3.32 -1.97 0.42 116.42 125.63 1pjz h ASP 8 Ca 0.74 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.50 1pjz h ASP 8 Cb 2.35 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 41.89 1pjz h ASP 8 CO -0.31 0.27 -0.33 0.25 -1.72 0.00 0.00 179.24 177.40 1pjz h LEU 9 N -0.32 -0.94 -1.88 1.55 7.12 0.68 1.57 115.31 123.09 1pjz h LEU 9 Ca -0.00 0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.20 1pjz h LEU 9 Cb 0.31 0.32 -0.02 0.00 -0.53 0.00 0.00 40.66 40.74 1pjz h LEU 9 CO 0.00 -0.40 0.31 0.06 -0.13 0.00 0.00 178.44 178.28 1pjz h GLN 10 N -0.58 0.13 0.00 1.25 3.07 -1.15 0.31 115.11 118.14 1pjz h GLN 10 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1pjz h GLN 10 Cb 0.53 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.06 1pjz h GLN 10 CO -0.09 0.08 0.00 0.94 0.09 0.00 0.00 178.83 179.85 1pjz n GLN 11 N -4.44 0.00 -0.30 0.06 -0.06 0.15 -0.69 117.38 112.10 1pjz n GLN 11 Ca 0.07 0.13 0.09 0.00 -2.00 0.00 0.00 57.00 55.30 1pjz n GLN 11 Cb 0.42 -0.80 0.22 0.00 -4.06 0.00 0.00 30.24 26.02 1pjz n GLN 11 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 1pjz h TYR 12 N 0.00 -0.03 -0.08 3.69 0.05 0.22 0.64 116.97 121.46 1pjz h TYR 12 Ca 0.00 0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1pjz h TYR 12 Cb 0.00 0.15 -0.00 0.00 1.01 0.00 0.00 36.73 37.89 1pjz h TYR 12 CO 0.02 -0.31 0.04 2.35 -1.05 0.00 0.00 178.16 179.21 1pjz h TRP 13 N 0.08 0.11 -0.85 4.88 2.91 -0.50 2.50 115.95 125.08 1pjz h TRP 13 Ca 0.50 -0.00 0.16 0.00 1.13 0.00 0.00 58.89 60.68 1pjz h TRP 13 Cb 0.94 -0.04 -0.10 0.00 -0.51 0.00 0.00 29.16 29.46 1pjz h TRP 13 CO -0.45 0.15 0.42 1.03 -1.03 0.00 0.00 178.44 178.56 1pjz h SER 14 N 0.04 0.46 0.04 2.65 0.87 0.24 -0.73 113.55 117.12 1pjz h SER 14 Ca 0.03 0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1pjz h SER 14 Cb 0.07 0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1pjz h SER 14 CO -0.00 0.16 -0.26 0.28 -0.53 0.00 0.00 176.83 176.47 1pjz h SER 15 N 0.56 0.16 -1.00 6.23 0.02 0.10 -3.28 113.55 116.34 1pjz h SER 15 Ca 0.48 -0.94 0.36 0.00 -0.84 0.00 0.00 61.79 60.85 1pjz h SER 15 Cb 0.75 -0.05 -0.18 0.00 0.14 0.00 0.00 62.40 63.06 1pjz h SER 15 CO -0.40 1.09 0.33 -0.07 -1.14 0.00 0.00 176.83 176.64 1pjz h LEU 16 N -0.74 -0.01 -2.30 5.07 -0.00 0.50 -3.45 115.31 114.39 1pjz h LEU 16 Ca -0.04 0.27 -0.24 0.00 -0.00 0.00 0.00 57.88 57.86 1pjz h LEU 16 Cb 1.17 0.36 0.17 0.00 -0.00 0.00 0.00 40.66 42.36 1pjz h LEU 16 CO 0.05 -0.40 -0.76 -3.20 -0.00 0.00 0.00 178.44 174.13 1pjz n ASN 17 N -5.35 -5.16 -4.76 -0.43 2.85 -0.35 -4.94 115.26 97.12 1pjz n ASN 17 Ca 0.32 -0.62 -0.41 0.00 -0.11 0.00 0.00 54.58 53.76 1pjz n ASN 17 Cb 1.07 -4.75 -0.03 0.00 1.24 0.00 0.00 39.78 37.31 1pjz n ASN 17 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1pjz s VAL 18 N -3.35 3.11 0.38 3.44 1.01 -1.26 -4.93 120.40 118.81 1pjz s VAL 18 Ca 0.31 1.11 -0.23 0.00 0.00 0.00 0.00 61.98 63.17 1pjz s VAL 18 Cb -0.04 -3.70 -0.15 0.00 0.00 0.00 0.00 36.38 32.49 1pjz s VAL 18 CO 0.67 0.26 0.34 0.55 0.00 0.00 0.00 175.10 176.91 1pjz n VAL 19 N 1.09 1.28 -0.59 2.92 3.14 -1.26 -4.70 118.33 120.21 1pjz n VAL 19 Ca -0.00 -0.50 -0.05 0.00 -2.96 0.00 0.00 64.34 60.83 1pjz n VAL 19 Cb 0.43 -0.23 -0.07 0.00 -1.06 0.00 0.00 33.84 32.91 1pjz n VAL 19 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1pjz n PRO 20 N 0.99 1.18 0.00 1.45 -0.04 -1.26 -2.50 135.00 134.81 1pjz n PRO 20 Ca 0.12 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 1pjz n PRO 20 Cb 0.38 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1pjz n PRO 20 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pjz n GLY 21 N 2.19 0.00 3.91 0.55 0.00 -1.26 -4.89 105.19 105.69 1pjz n GLY 21 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1pjz n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz s ALA 22 N 0.00 3.55 -0.15 4.61 0.00 -1.04 -4.77 121.76 123.97 1pjz s ALA 22 Ca 0.00 -0.62 -0.19 0.00 0.00 0.00 0.00 51.96 51.15 1pjz s ALA 22 Cb 0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1pjz s ALA 22 CO 0.00 -0.04 0.54 1.03 0.00 0.00 0.00 175.76 177.29 1pjz s ARG 23 N -4.16 4.29 -0.40 0.00 1.81 -0.81 -1.56 118.95 118.11 1pjz s ARG 23 Ca 0.44 0.51 -0.09 0.00 -1.72 0.00 0.00 55.73 54.88 1pjz s ARG 23 Cb -0.10 -3.49 0.07 0.00 -0.45 0.00 0.00 34.95 30.97 1pjz s ARG 23 CO 0.36 -0.00 0.23 0.08 -0.68 0.00 0.00 175.30 175.30 1pjz s VAL 24 N 1.13 4.15 0.01 3.52 1.01 0.63 -1.70 120.40 129.15 1pjz s VAL 24 Ca 0.27 -1.36 -0.23 0.00 0.00 0.00 0.00 61.98 60.66 1pjz s VAL 24 Cb -0.16 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1pjz s VAL 24 CO 0.11 -0.45 0.70 -0.22 0.00 0.00 0.00 175.10 175.24 1pjz s LEU 25 N 1.42 4.42 -0.23 3.92 1.98 -0.31 -1.47 118.68 128.41 1pjz s LEU 25 Ca 0.03 1.32 -0.03 0.00 -2.89 0.00 0.00 54.13 52.56 1pjz s LEU 25 Cb -0.22 -3.11 0.08 0.00 0.66 0.00 0.00 46.19 43.59 1pjz s LEU 25 CO 0.02 0.02 0.08 0.68 -1.89 0.00 0.00 176.35 175.26 1pjz s VAL 26 N 0.03 0.37 0.14 1.68 -7.23 -0.89 0.46 120.40 114.96 1pjz s VAL 26 Ca 0.36 -0.70 -0.30 0.00 -1.81 0.00 0.00 61.98 59.53 1pjz s VAL 26 Cb -0.19 -1.07 -0.07 0.00 0.56 0.00 0.00 36.38 35.61 1pjz s VAL 26 CO 0.20 -0.42 1.13 -2.16 -0.31 0.00 0.00 175.10 173.55 1pjz s PRO 27 N 1.91 4.54 -0.92 4.82 0.04 -1.24 -1.26 135.00 142.89 1pjz s PRO 27 Ca 0.04 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 1pjz s PRO 27 Cb -0.17 -3.30 0.12 0.00 0.04 0.00 0.00 34.50 31.19 1pjz s PRO 27 CO -0.17 -0.03 0.29 1.47 0.04 0.00 0.00 177.00 178.60 1pjz n LEU 28 N 2.82 -0.40 -0.01 -3.56 -0.00 0.49 -4.30 117.00 112.04 1pjz n LEU 28 Ca 0.05 -0.50 -0.15 0.00 -0.00 0.00 0.00 56.01 55.40 1pjz n LEU 28 Cb 0.46 -0.99 -0.14 0.00 -0.00 0.00 0.00 43.42 42.75 1pjz n LEU 28 CO 0.54 0.05 -0.67 0.00 -0.00 0.00 0.00 177.39 177.31 1pjz n GLY 30 N 1.78 0.82 3.16 0.00 0.00 -1.00 -4.60 105.19 105.34 1pjz n GLY 30 Ca -0.25 0.45 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1pjz n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pjz s LYS 31 N 0.00 0.80 0.00 1.61 2.20 -1.26 -4.91 119.74 118.18 1pjz s LYS 31 Ca 0.00 -1.12 0.00 0.00 -0.36 0.00 0.00 55.97 54.49 1pjz s LYS 31 Cb 0.00 -0.47 0.00 0.00 -1.51 0.00 0.00 37.83 35.85 1pjz s LYS 31 CO 0.00 0.07 0.00 0.43 -0.36 0.00 0.00 175.35 175.49 1pjz n SER 32 N 0.62 0.00 -0.08 1.43 7.64 -1.26 -4.97 113.62 117.00 1pjz n SER 32 Ca -0.17 0.00 0.16 0.00 1.01 0.00 0.00 58.87 59.87 1pjz n SER 32 Cb 0.58 0.00 0.57 0.00 -1.01 0.00 0.00 64.21 64.35 1pjz n SER 32 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1pjz h GLN 33 N 0.00 0.26 0.73 1.43 4.20 -1.97 -1.21 115.11 118.54 1pjz h GLN 33 Ca 0.00 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1pjz h GLN 33 Cb 0.00 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.73 1pjz h GLN 33 CO 0.00 0.17 -0.35 0.22 -0.67 0.00 0.00 178.83 178.20 1pjz h ASP 34 N 0.26 -0.83 -0.19 1.46 3.58 -1.90 0.42 116.42 119.23 1pjz h ASP 34 Ca 0.30 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.82 1pjz h ASP 34 Cb 0.81 0.21 -0.05 0.00 1.72 0.00 0.00 39.33 42.02 1pjz h ASP 34 CO -0.07 -0.58 -0.15 -0.03 -2.88 0.00 0.00 179.24 175.54 1pjz h MET 35 N -1.00 -0.15 -0.71 0.28 4.05 -1.69 0.59 114.93 116.31 1pjz h MET 35 Ca -0.10 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1pjz h MET 35 Cb 0.76 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.55 1pjz h MET 35 CO 0.16 -0.10 0.47 0.77 0.23 0.00 0.00 176.91 178.44 1pjz h SER 36 N -0.16 0.72 -0.17 1.39 0.02 -1.17 0.16 113.55 114.34 1pjz h SER 36 Ca 0.11 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1pjz h SER 36 Cb 0.33 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1pjz h SER 36 CO -0.28 0.49 0.10 -0.25 -1.14 0.00 0.00 176.83 175.75 1pjz h TRP 37 N 0.83 0.23 0.67 3.45 7.01 0.14 0.52 115.95 128.79 1pjz h TRP 37 Ca 0.29 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.25 1pjz h TRP 37 Cb 0.10 -0.07 0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1pjz h TRP 37 CO -0.00 0.20 -0.32 -0.07 -2.79 0.00 0.00 178.44 175.46 1pjz h LEU 38 N 0.19 -0.76 -1.51 0.65 3.38 0.24 0.46 115.31 117.96 1pjz h LEU 38 Ca 0.06 0.03 0.41 0.00 0.09 0.00 0.00 57.88 58.47 1pjz h LEU 38 Cb 0.04 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 40.88 1pjz h LEU 38 CO -0.01 -0.53 0.88 -1.28 0.09 0.00 0.00 178.44 177.59 1pjz h SER 39 N -0.92 0.23 -0.07 -0.43 0.87 -0.69 1.75 113.55 114.29 1pjz h SER 39 Ca -0.09 0.10 -0.19 0.00 -1.23 0.00 0.00 61.79 60.38 1pjz h SER 39 Cb 0.69 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1pjz h SER 39 CO 0.15 -0.11 -0.67 1.23 -0.53 0.00 0.00 176.83 176.91 1pjz h GLY 40 N 0.12 0.77 2.00 5.77 0.00 -0.37 -3.08 103.07 108.28 1pjz h GLY 40 Ca 0.77 -0.99 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 1pjz h GLY 40 CO -0.32 0.89 -0.57 1.46 0.00 0.00 0.00 176.54 178.00 1pjz h GLN 41 N 0.50 0.00 -0.17 4.80 1.08 0.46 -3.48 115.11 118.30 1pjz h GLN 41 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1pjz h GLN 41 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1pjz h GLN 41 CO 0.13 0.57 0.00 0.41 -0.95 0.00 0.00 178.83 178.99 1pjz n GLY 42 N 0.55 0.78 3.41 3.46 0.00 0.20 -5.04 105.19 108.55 1pjz n GLY 42 Ca -0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.06 1.74 -1.00 1.61 1.51 -1.20 -4.19 117.35 113.76 1pjz s TYR 43 Ca 0.00 -1.18 -0.16 0.00 -1.01 0.00 0.00 57.07 54.72 1pjz s TYR 43 Cb 0.00 -1.07 0.17 0.00 -0.11 0.00 0.00 41.96 40.95 1pjz s TYR 43 CO 0.00 -0.27 1.14 -1.01 -1.11 0.00 0.00 175.55 174.31 1pjz s HIS 44 N -3.46 3.44 -0.35 2.71 3.76 -0.60 -4.65 115.29 116.14 1pjz s HIS 44 Ca 0.33 -1.81 -0.29 0.00 -0.15 0.00 0.00 55.06 53.15 1pjz s HIS 44 Cb 0.06 -4.17 0.01 0.00 1.11 0.00 0.00 32.58 29.60 1pjz s HIS 44 CO 0.15 -1.33 1.19 0.08 -0.85 0.00 0.00 174.74 173.99 1pjz s VAL 45 N 1.60 4.27 -0.07 -0.90 1.01 -1.26 -0.27 120.40 124.78 1pjz s VAL 45 Ca 0.33 1.41 -0.03 0.00 0.00 0.00 0.00 61.98 63.68 1pjz s VAL 45 Cb -0.06 -4.35 0.04 0.00 0.00 0.00 0.00 36.38 32.01 1pjz s VAL 45 CO -0.07 -0.61 0.12 0.54 0.00 0.00 0.00 175.10 175.08 1pjz s VAL 46 N 4.22 -0.20 0.10 2.92 0.11 -0.54 -1.33 120.40 125.67 1pjz s VAL 46 Ca 0.51 0.38 -0.03 0.00 -2.93 0.00 0.00 61.98 59.92 1pjz s VAL 46 Cb -0.13 -0.24 0.01 0.00 -1.53 0.00 0.00 36.38 34.50 1pjz s VAL 46 CO 0.23 0.16 0.18 0.61 -3.33 0.00 0.00 175.10 172.94 1pjz n GLY 47 N 5.31 2.08 3.26 6.54 0.00 0.20 -2.09 105.19 120.50 1pjz n GLY 47 Ca -0.04 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.45 1.48 -0.07 4.61 0.00 -0.39 -1.19 121.76 124.75 1pjz s ALA 48 Ca 0.05 -1.62 0.04 0.00 0.00 0.00 0.00 51.96 50.43 1pjz s ALA 48 Cb -0.01 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.57 1pjz s ALA 48 CO 0.04 -0.27 -0.20 -2.00 0.00 0.00 0.00 175.76 173.33 1pjz s GLU 49 N -3.88 2.42 -1.10 0.00 -6.30 -0.36 -0.38 118.70 109.10 1pjz s GLU 49 Ca 0.24 -0.72 -0.06 0.00 -2.50 0.00 0.00 54.97 51.93 1pjz s GLU 49 Cb 0.05 -1.93 0.29 0.00 0.00 0.00 0.00 34.13 32.55 1pjz s GLU 49 CO 0.05 0.19 1.38 1.28 0.02 0.00 0.00 175.26 178.17 1pjz n LEU 50 N 3.43 6.14 -3.71 2.70 7.99 -1.21 0.33 117.00 132.69 1pjz n LEU 50 Ca -0.20 -5.13 -0.12 0.00 -0.01 0.00 0.00 56.01 50.55 1pjz n LEU 50 Cb 0.53 -1.35 -0.10 0.00 -0.11 0.00 0.00 43.42 42.39 1pjz n LEU 50 CO 0.26 1.57 0.11 -0.55 -1.51 0.00 0.00 177.39 177.27 1pjz s SER 51 N -0.68 -0.51 -0.26 -1.43 0.15 0.09 -4.97 113.70 106.08 1pjz s SER 51 Ca 0.31 0.94 -0.10 0.00 0.70 0.00 0.00 55.95 57.80 1pjz s SER 51 Cb 0.00 0.89 -0.15 0.00 -1.71 0.00 0.00 66.02 65.06 1pjz s SER 51 CO 0.04 -0.17 -0.22 -0.62 1.20 0.00 0.00 173.24 173.47 1pjz n GLU 52 N 3.44 0.61 -0.17 5.44 1.02 -1.26 -3.47 120.64 126.25 1pjz n GLU 52 Ca -0.17 0.27 -0.10 0.00 -0.02 0.00 0.00 57.16 57.13 1pjz n GLU 52 Cb 0.56 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 -0.62 0.69 -0.27 0.62 0.00 -1.98 -1.39 119.26 116.30 1pjz h ALA 53 Ca -0.62 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 53.90 1pjz h ALA 53 Cb 1.68 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1pjz h ALA 53 CO -0.29 0.56 -0.10 0.00 0.00 0.00 0.00 179.25 179.42 1pjz h ALA 54 N 0.91 1.32 0.15 0.00 0.00 -1.98 0.11 119.26 119.77 1pjz h ALA 54 Ca 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1pjz h ALA 54 Cb 0.62 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1pjz h ALA 54 CO 0.04 0.45 -0.07 0.28 0.00 0.00 0.00 179.25 179.95 1pjz h VAL 55 N 0.42 0.97 -0.70 0.00 2.07 -1.50 0.13 116.25 117.64 1pjz h VAL 55 Ca 0.08 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1pjz h VAL 55 Cb 0.43 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1pjz h VAL 55 CO 0.02 0.12 0.42 -0.33 0.02 0.00 0.00 177.57 177.82 1pjz h GLU 56 N -0.44 0.96 -0.71 1.57 4.39 -1.01 -1.03 114.58 118.30 1pjz h GLU 56 Ca -0.02 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 1pjz h GLU 56 Cb 0.34 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1pjz h GLU 56 CO 0.03 0.68 0.34 -0.09 -1.16 0.00 0.00 179.01 178.82 1pjz h ARG 57 N 0.96 1.02 -0.55 2.33 2.43 -0.67 0.10 114.38 119.99 1pjz h ARG 57 Ca 0.25 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1pjz h ARG 57 Cb -0.02 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1pjz h ARG 57 CO -0.05 0.78 0.07 1.88 -1.51 0.00 0.00 179.97 181.15 1pjz h TYR 58 N 1.01 0.99 0.00 2.20 -1.99 -0.01 0.36 116.97 119.53 1pjz h TYR 58 Ca 0.25 -0.14 -0.09 0.00 2.00 0.00 0.00 58.73 60.75 1pjz h TYR 58 Cb 0.10 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.55 1pjz h TYR 58 CO 0.01 0.88 -0.42 0.74 -0.00 0.00 0.00 178.16 179.37 1pjz h PHE 59 N 0.82 0.00 0.18 4.88 0.04 -0.74 -1.11 116.94 121.01 1pjz h PHE 59 Ca 0.17 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.62 1pjz h PHE 59 Cb 0.43 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.60 1pjz h PHE 59 CO 0.03 0.42 -1.43 0.00 -0.60 0.00 0.00 178.31 176.73 1pjz h THR 60 N 0.00 1.31 -0.27 -1.55 1.03 -0.43 0.44 112.91 113.44 1pjz h THR 60 Ca -0.00 -2.83 -0.12 0.00 -0.01 0.00 0.00 66.41 63.45 1pjz h THR 60 Cb 0.95 2.94 -0.00 0.00 -1.07 0.00 0.00 68.15 70.97 1pjz h THR 60 CO 0.05 0.85 -0.30 -0.33 -0.01 0.00 0.00 175.52 175.78 1pjz h GLU 61 N 0.11 0.68 0.11 0.00 4.39 -0.21 -3.23 114.58 116.43 1pjz h GLU 61 Ca -0.22 -0.37 -0.29 0.00 0.34 0.00 0.00 59.36 58.82 1pjz h GLU 61 Cb 2.07 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.74 1pjz h GLU 61 CO 0.23 0.99 -1.38 0.00 -1.16 0.00 0.00 179.01 177.68 1pjz h ARG 62 N 0.41 0.23 -0.99 2.33 3.08 -1.31 -3.48 114.38 114.65 1pjz h ARG 62 Ca 0.04 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 59.66 1pjz h ARG 62 Cb 0.88 0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.08 1pjz h ARG 62 CO 0.07 1.13 -0.05 0.41 -1.07 0.00 0.00 179.97 180.46 1pjz n GLY 63 N 1.59 0.68 0.31 0.04 0.00 0.15 -4.84 105.19 103.11 1pjz n GLY 63 Ca -0.12 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.93 -0.81 0.00 1.61 1.02 -0.88 -5.02 120.64 115.63 1pjz n GLU 64 Ca -0.01 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1pjz n GLU 64 Cb 0.51 -0.78 0.00 0.00 -0.02 0.00 0.00 31.44 31.15 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 -1.64 0.00 -0.40 3.49 1.13 -1.26 -5.13 117.38 113.57 1pjz n GLN 65 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 1pjz n GLN 65 Cb 0.08 0.00 0.06 0.00 0.11 0.00 0.00 30.24 30.50 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 -0.95 -3.04 -1.09 -0.04 -1.26 -4.98 135.00 123.64 1pjz n PRO 66 Ca 0.00 -0.51 -0.43 0.00 -0.04 0.00 0.00 63.50 62.51 1pjz n PRO 66 Cb 0.00 -0.40 -0.06 0.00 -0.04 0.00 0.00 33.50 33.00 1pjz n PRO 66 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1pjz s HIS 67 N -1.66 2.97 -0.21 0.54 2.46 0.32 -4.93 115.29 114.78 1pjz s HIS 67 Ca 0.20 -0.24 -0.10 0.00 0.47 0.00 0.00 55.06 55.39 1pjz s HIS 67 Cb -0.01 -3.66 -0.05 0.00 -0.13 0.00 0.00 32.58 28.73 1pjz s HIS 67 CO 0.14 -1.09 0.12 0.42 -2.47 0.00 0.00 174.74 171.87 1pjz s ILE 68 N 3.10 5.26 0.12 0.89 -1.09 -1.26 -1.30 121.20 126.93 1pjz s ILE 68 Ca 0.22 0.14 0.07 0.00 -2.23 0.00 0.00 60.65 58.85 1pjz s ILE 68 Cb -0.16 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 1pjz s ILE 68 CO 0.16 0.42 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.24 1pjz s THR 69 N 0.57 1.45 -0.43 2.92 2.01 0.13 -4.96 115.64 117.33 1pjz s THR 69 Ca 0.07 -1.69 -0.03 0.00 0.31 0.00 0.00 61.69 60.35 1pjz s THR 69 Cb -0.12 -1.55 0.12 0.00 0.01 0.00 0.00 72.50 70.96 1pjz s THR 69 CO 0.00 -0.33 0.23 -0.94 -0.69 0.00 0.00 174.62 172.89 1pjz s SER 70 N -2.35 5.27 -1.06 3.53 1.04 -1.26 -0.74 113.70 118.13 1pjz s SER 70 Ca 0.09 -2.10 -0.16 0.00 0.48 0.00 0.00 55.95 54.25 1pjz s SER 70 Cb -0.06 -1.84 0.15 0.00 0.10 0.00 0.00 66.02 64.37 1pjz s SER 70 CO 0.04 -0.54 1.27 -1.10 0.98 0.00 0.00 173.24 173.89 1pjz s GLN 71 N 1.04 3.83 2.33 4.02 -1.52 0.15 -4.85 119.66 124.67 1pjz s GLN 71 Ca 0.09 -2.15 0.00 0.00 -1.95 0.00 0.00 55.36 51.34 1pjz s GLN 71 Cb -0.23 -4.99 0.00 0.00 -0.22 0.00 0.00 33.01 27.58 1pjz s GLN 71 CO -0.04 -1.77 0.00 0.41 -0.25 0.00 0.00 175.29 173.64 1pjz n GLY 72 N 4.83 0.84 0.03 3.09 0.00 -1.26 -0.24 105.19 112.49 1pjz n GLY 72 Ca 0.30 0.46 0.03 0.00 0.00 0.00 0.00 46.02 46.81 1pjz n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pjz n ASP 73 N 4.58 0.41 -4.97 1.61 8.00 -1.26 -5.03 116.55 119.89 1pjz n ASP 73 Ca 0.00 -0.71 -0.20 0.00 0.71 0.00 0.00 54.79 54.60 1pjz n ASP 73 Cb 0.00 0.87 0.01 0.00 -0.02 0.00 0.00 41.12 41.98 1pjz n ASP 73 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1pjz s PHE 74 N -1.36 2.28 0.20 1.24 0.08 0.67 -5.10 117.98 115.99 1pjz s PHE 74 Ca 0.03 -0.56 0.06 0.00 0.12 0.00 0.00 56.93 56.57 1pjz s PHE 74 Cb 0.04 -2.23 -0.05 0.00 -0.57 0.00 0.00 43.02 40.21 1pjz s PHE 74 CO 0.19 -0.55 -0.09 0.21 -0.10 0.00 0.00 175.22 174.88 1pjz s LYS 75 N -4.37 1.29 -0.18 0.44 2.20 -1.26 0.35 119.74 118.20 1pjz s LYS 75 Ca 0.53 -1.60 -0.04 0.00 -0.36 0.00 0.00 55.97 54.50 1pjz s LYS 75 Cb -0.06 -0.89 0.08 0.00 -1.51 0.00 0.00 37.83 35.45 1pjz s LYS 75 CO 0.32 0.08 0.16 0.54 -0.36 0.00 0.00 175.35 176.08 1pjz s VAL 76 N -3.17 -0.21 -0.41 4.02 0.11 0.08 -1.11 120.40 119.71 1pjz s VAL 76 Ca 0.23 -0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 59.12 1pjz s VAL 76 Cb 0.02 -0.60 0.10 0.00 -1.53 0.00 0.00 36.38 34.36 1pjz s VAL 76 CO 0.06 -0.22 0.22 -0.47 -3.33 0.00 0.00 175.10 171.37 1pjz s TYR 77 N 2.24 3.46 -0.11 1.54 5.04 0.32 -0.69 117.35 129.15 1pjz s TYR 77 Ca 0.04 -2.04 -0.05 0.00 -2.44 0.00 0.00 57.07 52.58 1pjz s TYR 77 Cb -0.16 -3.08 -0.04 0.00 0.35 0.00 0.00 41.96 39.03 1pjz s TYR 77 CO -0.10 -0.93 0.08 0.00 -1.34 0.00 0.00 175.55 173.26 1pjz s ALA 78 N 1.26 3.60 0.34 3.97 0.00 -0.42 -1.12 121.76 129.40 1pjz s ALA 78 Ca 0.05 -0.72 0.08 0.00 0.00 0.00 0.00 51.96 51.37 1pjz s ALA 78 Cb -0.23 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1pjz s ALA 78 CO -0.02 0.58 0.20 0.00 0.00 0.00 0.00 175.76 176.52 1pjz s ALA 79 N -0.88 3.62 0.02 0.00 0.00 -1.19 -0.53 121.76 122.81 1pjz s ALA 79 Ca 0.14 -1.77 -0.19 0.00 0.00 0.00 0.00 51.96 50.13 1pjz s ALA 79 Cb -0.12 -0.88 -0.22 0.00 0.00 0.00 0.00 23.12 21.91 1pjz s ALA 79 CO 0.03 0.02 1.15 -1.00 0.00 0.00 0.00 175.76 175.96 1pjz h PRO 80 N 1.44 0.46 0.47 0.00 0.13 -1.97 -3.34 132.00 129.19 1pjz h PRO 80 Ca -0.44 -0.45 -0.01 0.00 -0.87 0.00 0.00 66.00 64.23 1pjz h PRO 80 Cb 1.25 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.48 1pjz h PRO 80 CO 0.62 1.10 -0.37 0.78 -0.23 0.00 0.00 178.00 179.89 1pjz h GLY 81 N -0.00 -0.93 -2.22 1.56 0.00 -2.01 -3.44 103.07 96.02 1pjz h GLY 81 Ca -0.06 0.42 -0.59 0.00 0.00 0.00 0.00 47.33 47.10 1pjz h GLY 81 CO 0.12 -0.33 -0.68 -1.50 0.00 0.00 0.00 176.54 174.15 1pjz s ILE 82 N -6.00 2.71 -0.91 2.60 -1.16 -1.25 -5.00 121.20 112.19 1pjz s ILE 82 Ca -0.17 -2.15 -0.00 0.00 -0.51 0.00 0.00 60.65 57.82 1pjz s ILE 82 Cb 0.05 -2.61 0.33 0.00 0.61 0.00 0.00 42.46 40.85 1pjz s ILE 82 CO 0.62 -0.31 1.75 1.21 -2.81 0.00 0.00 174.94 175.41 1pjz n GLU 83 N -0.80 4.48 -4.24 3.50 4.07 -0.44 -3.16 120.64 124.05 1pjz n GLU 83 Ca -0.05 -4.41 -0.34 0.00 -0.06 0.00 0.00 57.16 52.30 1pjz n GLU 83 Cb 0.61 -2.39 -0.14 0.00 -0.06 0.00 0.00 31.44 29.46 1pjz n GLU 83 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1pjz s ILE 84 N -4.58 3.34 -0.48 6.31 -1.16 -1.25 -0.63 121.20 122.75 1pjz s ILE 84 Ca 0.44 -0.53 -0.10 0.00 -0.51 0.00 0.00 60.65 59.95 1pjz s ILE 84 Cb 0.27 -2.48 0.12 0.00 0.61 0.00 0.00 42.46 40.98 1pjz s ILE 84 CO -0.20 0.47 0.36 -1.66 -2.81 0.00 0.00 174.94 171.10 1pjz s TRP 85 N 0.97 3.40 0.31 3.50 1.48 -0.33 -3.44 118.94 124.83 1pjz s TRP 85 Ca -0.01 -1.78 -0.29 0.00 -1.06 0.00 0.00 56.10 52.97 1pjz s TRP 85 Cb -0.15 -3.52 -0.10 0.00 -1.16 0.00 0.00 33.47 28.54 1pjz s TRP 85 CO 0.00 -0.99 1.22 0.00 -4.06 0.00 0.00 176.95 173.11 1pjz n GLY 87 N 0.95 1.06 3.37 0.00 0.00 0.15 -0.52 105.19 110.20 1pjz n GLY 87 Ca -0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 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 2.30 -0.34 1.61 -1.08 -0.26 -0.73 116.67 114.16 1pjz s ASP 88 Ca 0.00 -1.17 0.03 0.00 -0.52 0.00 0.00 52.55 50.89 1pjz s ASP 88 Cb 0.00 -0.08 0.10 0.00 -1.46 0.00 0.00 42.92 41.48 1pjz s ASP 88 CO 0.00 -0.39 0.07 0.12 0.52 0.00 0.00 175.17 175.48 1pjz s PHE 89 N -3.20 3.30 0.00 -5.34 5.36 -1.26 -4.57 117.98 112.27 1pjz s PHE 89 Ca 0.27 -2.73 0.00 0.00 -0.96 0.00 0.00 56.93 53.51 1pjz s PHE 89 Cb 0.04 -2.66 0.00 0.00 -0.34 0.00 0.00 43.02 40.06 1pjz s PHE 89 CO 0.09 -0.93 0.00 1.97 -1.46 0.00 0.00 175.22 174.89 1pjz n PHE 90 N 4.35 0.00 0.00 10.12 -1.74 -1.26 -5.02 117.46 123.91 1pjz n PHE 90 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.92 1pjz n PHE 90 Cb 0.42 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.42 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1pjz n ALA 91 N 0.00 0.00 -1.75 1.98 0.00 -1.26 -5.13 120.51 114.35 1pjz n ALA 91 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1pjz n ALA 91 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.41 2.50 -0.68 0.00 -0.00 -1.26 -5.02 118.68 111.79 1pjz s LEU 92 Ca 0.00 0.99 -0.01 0.00 -0.00 0.00 0.00 54.13 55.12 1pjz s LEU 92 Cb 0.00 -3.54 0.17 0.00 -0.00 0.00 0.00 46.19 42.82 1pjz s LEU 92 CO 0.00 -1.93 0.50 -0.89 -0.00 0.00 0.00 176.35 174.03 1pjz s THR 93 N -3.39 3.61 0.07 5.48 2.01 -1.26 -4.89 115.64 117.28 1pjz s THR 93 Ca 0.61 -3.39 0.12 0.00 0.31 0.00 0.00 61.69 59.34 1pjz s THR 93 Cb -0.12 -3.34 0.12 0.00 0.01 0.00 0.00 72.50 69.16 1pjz s THR 93 CO 0.52 -0.93 1.23 0.00 -0.69 0.00 0.00 174.62 174.75 1pjz n ALA 94 N 2.97 0.54 0.05 7.40 0.00 -1.17 0.10 120.51 130.40 1pjz n ALA 94 Ca 0.12 0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.45 1pjz n ALA 94 Cb 0.36 -0.69 -0.14 0.00 0.00 0.00 0.00 19.45 18.98 1pjz n ALA 94 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1pjz h ARG 95 N 0.00 0.32 0.00 0.00 2.43 0.29 0.48 114.38 117.90 1pjz h ARG 95 Ca 0.00 -0.54 -0.05 0.00 -0.81 0.00 0.00 59.98 58.58 1pjz h ARG 95 Cb 0.73 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1pjz h ARG 95 CO 0.00 1.26 -0.22 0.22 -1.51 0.00 0.00 179.97 179.72 1pjz h ASP 96 N -0.23 0.00 0.18 -3.80 3.58 0.42 0.17 116.42 116.74 1pjz h ASP 96 Ca -0.25 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 56.85 1pjz h ASP 96 Cb 1.81 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.82 1pjz h ASP 96 CO 0.13 0.22 -2.05 2.30 -2.88 0.00 0.00 179.24 176.96 1pjz n ILE 97 N -3.27 1.66 0.01 2.25 -5.35 0.39 -4.61 119.36 110.44 1pjz n ILE 97 Ca 0.01 -0.69 -0.01 0.00 -0.27 0.00 0.00 62.75 61.79 1pjz n ILE 97 Cb 0.49 -1.41 -0.00 0.00 -1.74 0.00 0.00 39.64 36.98 1pjz n ILE 97 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1pjz h GLY 98 N 2.06 -0.05 0.00 3.28 0.00 0.03 -3.42 103.07 104.97 1pjz h GLY 98 Ca -0.43 0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1pjz h GLY 98 CO 0.05 -0.02 0.00 -2.39 0.00 0.00 0.00 176.54 174.18 1pjz n HIS 99 N -2.58 0.00 -3.83 5.60 1.44 0.60 -4.16 115.22 112.29 1pjz n HIS 99 Ca -0.01 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.58 1pjz n HIS 99 Cb 0.02 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 29.99 1pjz n HIS 99 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pjz n ALA 101 N 3.37 0.00 -3.47 0.00 0.00 -0.30 -1.93 120.51 118.19 1pjz n ALA 101 Ca -0.16 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.30 1pjz n ALA 101 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.77 -1.25 -3.65 0.00 0.00 -0.69 -0.90 120.51 113.25 1pjz n ALA 102 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 53.44 52.77 1pjz n ALA 102 Cb 0.00 0.42 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 1pjz n ALA 102 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1pjz s PHE 103 N -4.49 -1.18 -0.21 0.00 -0.71 -0.43 -1.16 117.98 109.82 1pjz s PHE 103 Ca 0.11 2.19 -0.08 0.00 -1.04 0.00 0.00 56.93 58.11 1pjz s PHE 103 Cb -0.02 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.45 1pjz s PHE 103 CO 0.05 -0.59 0.08 -0.47 -1.34 0.00 0.00 175.22 172.95 1pjz s TYR 104 N 2.24 3.21 0.04 3.49 6.14 0.17 -0.91 117.35 131.73 1pjz s TYR 104 Ca -0.08 -0.02 0.06 0.00 0.64 0.00 0.00 57.07 57.66 1pjz s TYR 104 Cb -0.08 -2.14 -0.03 0.00 0.42 0.00 0.00 41.96 40.12 1pjz s TYR 104 CO -0.19 0.02 -0.12 0.34 0.64 0.00 0.00 175.55 176.23 1pjz s ASP 105 N 0.77 4.23 0.45 4.32 -1.08 -0.32 -3.58 116.67 121.45 1pjz s ASP 105 Ca 0.04 -0.31 0.08 0.00 -0.52 0.00 0.00 52.55 51.83 1pjz s ASP 105 Cb -0.13 -0.83 0.00 0.00 -1.46 0.00 0.00 42.92 40.50 1pjz s ASP 105 CO 0.02 0.25 0.48 0.00 0.52 0.00 0.00 175.17 176.44 1pjz s ARG 106 N -1.59 2.56 -0.65 4.34 1.70 -1.26 -0.85 118.95 123.20 1pjz s ARG 106 Ca 0.17 -1.51 -0.28 0.00 -0.47 0.00 0.00 55.73 53.64 1pjz s ARG 106 Cb -0.11 -2.48 -0.12 0.00 -0.57 0.00 0.00 34.95 31.67 1pjz s ARG 106 CO 0.08 -0.33 2.50 0.00 -1.08 0.00 0.00 175.30 176.47 1pjz n ALA 107 N -1.73 0.64 0.00 7.88 0.00 -0.32 -4.50 120.51 122.49 1pjz n ALA 107 Ca 0.06 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1pjz n ALA 107 Cb 0.61 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.19 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 13.90 2.97 -0.06 0.00 0.00 -1.26 -4.79 120.51 131.27 1pjz n ALA 108 Ca 0.47 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.94 1pjz n ALA 108 Cb 0.36 0.24 0.38 0.00 0.00 0.00 0.00 19.45 20.44 1pjz n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz h MET 109 N 0.00 0.66 0.00 0.00 -0.00 -1.88 0.18 114.93 113.90 1pjz h MET 109 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 1pjz h MET 109 Cb 0.49 -0.15 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 1pjz h MET 109 CO 0.00 0.44 0.00 0.44 -0.00 0.00 0.00 176.91 177.79 1pjz n ILE 110 N -4.46 0.98 -0.05 -0.10 -0.00 -1.26 -1.43 119.36 113.04 1pjz n ILE 110 Ca 0.05 0.61 -0.20 0.00 -0.00 0.00 0.00 62.75 63.20 1pjz n ILE 110 Cb 0.06 -1.59 -0.13 0.00 -0.00 0.00 0.00 39.64 37.98 1pjz n ILE 110 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1pjz n ALA 111 N -1.78 1.10 -2.26 -1.28 0.00 0.58 0.12 120.51 116.98 1pjz n ALA 111 Ca -0.01 -0.79 -0.26 0.00 0.00 0.00 0.00 53.44 52.38 1pjz n ALA 111 Cb 0.08 -0.44 0.01 0.00 0.00 0.00 0.00 19.45 19.10 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 -6.88 3.56 0.00 0.00 1.02 -0.52 -4.96 118.68 110.91 1pjz s LEU 112 Ca -0.28 0.72 0.00 0.00 0.02 0.00 0.00 54.13 54.59 1pjz s LEU 112 Cb 0.08 -3.62 0.00 0.00 0.02 0.00 0.00 46.19 42.67 1pjz s LEU 112 CO 0.70 -0.71 0.00 -0.81 0.02 0.00 0.00 176.35 175.55 1pjz n PRO 113 N -2.28 2.06 -0.01 1.29 -0.04 -1.26 -4.80 135.00 129.97 1pjz n PRO 113 Ca 0.01 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1pjz n PRO 113 Cb 0.56 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 0.00 -0.98 0.55 0.00 -1.98 -3.03 119.26 111.83 1pjz h ALA 114 Ca 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.91 1pjz h ALA 114 Cb 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.67 1pjz h ALA 114 CO 0.00 0.03 -0.42 0.22 0.00 0.00 0.00 179.25 179.07 1pjz h ASP 115 N -0.10 -1.56 0.09 0.00 1.82 -1.98 0.67 116.42 115.35 1pjz h ASP 115 Ca 0.00 0.31 0.02 0.00 -0.39 0.00 0.00 57.03 56.97 1pjz h ASP 115 Cb 0.03 0.79 -0.05 0.00 0.68 0.00 0.00 39.33 40.77 1pjz h ASP 115 CO 0.00 -0.28 -0.49 -0.03 -1.61 0.00 0.00 179.24 176.83 1pjz h MET 116 N -0.01 -0.67 -0.75 0.28 4.05 -1.96 0.45 114.93 116.31 1pjz h MET 116 Ca 0.31 0.05 0.18 0.00 -0.28 0.00 0.00 59.70 59.95 1pjz h MET 116 Cb 0.56 0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 31.47 1pjz h MET 116 CO -0.97 -0.45 0.52 -0.09 0.23 0.00 0.00 176.91 176.15 1pjz h ARG 117 N -0.70 0.26 0.34 0.39 1.12 -0.65 0.19 114.38 115.33 1pjz h ARG 117 Ca 0.01 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 1pjz h ARG 117 Cb 0.73 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.63 1pjz h ARG 117 CO -0.29 0.17 -0.16 0.93 -3.11 0.00 0.00 179.97 177.50 1pjz h GLU 118 N 0.27 -0.44 0.00 0.20 4.39 0.23 0.38 114.58 119.61 1pjz h GLU 118 Ca 0.37 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 1pjz h GLU 118 Cb 1.07 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1pjz h GLU 118 CO -0.09 -0.24 -0.04 0.07 -1.16 0.00 0.00 179.01 177.55 1pjz h ARG 119 N -0.52 0.00 0.01 2.33 -0.00 0.14 -1.43 114.38 114.91 1pjz h ARG 119 Ca -0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.89 1pjz h ARG 119 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.37 1pjz h ARG 119 CO 0.08 0.04 -0.18 -0.92 -0.00 0.00 0.00 179.97 178.98 1pjz h TYR 120 N 0.00 0.16 -0.46 4.08 5.03 -0.08 -1.38 116.97 124.32 1pjz h TYR 120 Ca -0.00 -0.10 -0.05 0.00 2.58 0.00 0.00 58.73 61.17 1pjz h TYR 120 Cb 0.48 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 1pjz h TYR 120 CO 0.00 0.94 0.11 -0.39 -1.32 0.00 0.00 178.16 177.50 1pjz h VAL 121 N -0.66 1.24 0.03 1.81 -1.51 -0.12 0.12 116.25 117.15 1pjz h VAL 121 Ca -0.03 -0.83 -0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1pjz h VAL 121 Cb 1.00 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1pjz h VAL 121 CO 0.04 0.30 -0.02 0.06 -1.23 0.00 0.00 177.57 176.72 1pjz h GLN 122 N 0.62 -0.04 -0.64 5.19 3.07 -1.36 0.28 115.11 122.22 1pjz h GLN 122 Ca 0.15 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.90 1pjz h GLN 122 Cb 0.33 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.86 1pjz h GLN 122 CO 0.00 0.06 0.43 0.45 0.09 0.00 0.00 178.83 179.86 1pjz h HIS 123 N -0.13 0.80 0.37 0.06 3.86 -1.12 0.86 115.15 119.85 1pjz h HIS 123 Ca -0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1pjz h HIS 123 Cb 0.12 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.32 1pjz h HIS 123 CO -0.05 0.50 -0.18 1.25 0.86 0.00 0.00 177.93 180.32 1pjz h LEU 124 N 0.86 -0.42 -1.76 2.43 7.12 -0.27 -1.41 115.31 121.86 1pjz h LEU 124 Ca 0.24 0.01 0.13 0.00 0.13 0.00 0.00 57.88 58.40 1pjz h LEU 124 Cb -0.09 0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.13 1pjz h LEU 124 CO -0.05 -0.22 0.58 1.05 -0.13 0.00 0.00 178.44 179.67 1pjz h GLU 125 N -0.66 0.00 0.43 1.25 -0.00 -0.33 1.56 114.58 116.83 1pjz h GLU 125 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.29 1pjz h GLU 125 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.13 1pjz h GLU 125 CO 0.08 0.00 -0.21 0.00 -0.00 0.00 0.00 179.01 178.89 1pjz h ALA 126 N 1.26 -0.64 -0.04 1.06 0.00 -0.60 -3.12 119.26 117.18 1pjz h ALA 126 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pjz h ALA 126 Cb 1.38 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1pjz h ALA 126 CO -0.00 -0.60 0.00 1.47 0.00 0.00 0.00 179.25 180.12 1pjz n LEU 127 N -4.83 0.27 -4.80 0.00 -0.00 -0.22 -4.85 117.00 102.57 1pjz n LEU 127 Ca -0.07 -0.13 -0.30 0.00 -0.00 0.00 0.00 56.01 55.51 1pjz n LEU 127 Cb 0.23 -0.03 0.19 0.00 -0.00 0.00 0.00 43.42 43.82 1pjz n LEU 127 CO 0.17 0.06 0.77 -0.04 -0.00 0.00 0.00 177.39 178.36 1pjz s MET 128 N -1.95 0.16 0.00 1.47 -1.94 0.52 0.24 119.30 117.79 1pjz s MET 128 Ca 0.16 -0.19 0.00 0.00 -1.71 0.00 0.00 55.69 53.94 1pjz s MET 128 Cb 0.08 -1.77 0.00 0.00 2.01 0.00 0.00 34.83 35.15 1pjz s MET 128 CO 0.12 -2.77 0.00 -0.35 -0.01 0.00 0.00 175.02 172.01 1pjz n PRO 129 N -4.07 -0.26 -0.12 2.03 -0.04 -1.25 -3.91 135.00 127.38 1pjz n PRO 129 Ca 0.13 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.38 1pjz n PRO 129 Cb 0.59 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.96 1pjz n PRO 129 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1pjz n GLN 130 N -1.05 0.54 -3.60 0.54 6.02 -0.50 -4.86 117.38 114.48 1pjz n GLN 130 Ca 0.00 0.18 -0.29 0.00 -0.01 0.00 0.00 57.00 56.88 1pjz n GLN 130 Cb 0.00 -1.41 -0.14 0.00 1.02 0.00 0.00 30.24 29.70 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pjz s ALA 131 N -2.45 1.07 0.01 -1.58 0.00 -0.66 -3.96 121.76 114.18 1pjz s ALA 131 Ca -0.33 -1.51 -0.15 0.00 0.00 0.00 0.00 51.96 49.98 1pjz s ALA 131 Cb 0.11 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.71 1pjz s ALA 131 CO 0.48 -1.76 0.31 0.00 0.00 0.00 0.00 175.76 174.79 1pjz s SER 133 N -1.63 6.19 0.33 0.00 0.15 -0.07 0.39 113.70 119.06 1pjz s SER 133 Ca -0.10 -0.83 -0.13 0.00 0.70 0.00 0.00 55.95 55.60 1pjz s SER 133 Cb -0.03 -2.22 -0.08 0.00 -1.71 0.00 0.00 66.02 61.98 1pjz s SER 133 CO 0.01 -0.63 0.72 -0.83 1.20 0.00 0.00 173.24 173.71 1pjz s GLY 134 N 2.05 2.20 -0.29 9.45 0.00 0.19 -1.31 107.32 119.61 1pjz s GLY 134 Ca 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 44.72 44.72 1pjz s GLY 134 CO 0.12 0.10 0.56 -2.27 0.00 0.00 0.00 173.10 171.61 1pjz s LEU 135 N -3.23 -1.22 0.01 0.66 2.96 -0.09 -0.21 118.68 117.57 1pjz s LEU 135 Ca 0.52 0.81 -0.01 0.00 -0.22 0.00 0.00 54.13 55.22 1pjz s LEU 135 Cb -0.10 1.97 -0.04 0.00 0.50 0.00 0.00 46.19 48.51 1pjz s LEU 135 CO 0.22 -0.26 0.17 -0.22 -1.32 0.00 0.00 176.35 174.94 1pjz s LEU 136 N 2.80 4.29 -0.28 -0.68 2.96 -0.59 -1.17 118.68 126.01 1pjz s LEU 136 Ca 0.17 0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 1pjz s LEU 136 Cb -0.15 -2.66 0.08 0.00 0.50 0.00 0.00 46.19 43.96 1pjz s LEU 136 CO -0.20 0.24 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.42 1pjz s ILE 137 N -1.36 1.79 0.45 6.68 1.09 -0.03 -1.56 121.20 128.27 1pjz s ILE 137 Ca 0.29 -1.64 0.07 0.00 -1.10 0.00 0.00 60.65 58.27 1pjz s ILE 137 Cb -0.13 -2.12 -0.01 0.00 -1.06 0.00 0.00 42.46 39.14 1pjz s ILE 137 CO 0.21 -0.29 0.32 0.42 -0.10 0.00 0.00 174.94 175.50 1pjz s THR 138 N 1.23 2.23 0.24 2.92 -4.23 0.19 -1.17 115.64 117.05 1pjz s THR 138 Ca -0.00 -1.50 0.01 0.00 -1.18 0.00 0.00 61.69 59.02 1pjz s THR 138 Cb -0.19 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 1pjz s THR 138 CO -0.09 0.00 0.18 -0.76 -0.54 0.00 0.00 174.62 173.41 1pjz s LEU 139 N -4.10 1.33 0.00 4.79 1.02 -1.26 0.32 118.68 120.78 1pjz s LEU 139 Ca 0.41 -1.50 0.00 0.00 0.02 0.00 0.00 54.13 53.06 1pjz s LEU 139 Cb -0.01 0.45 0.00 0.00 0.02 0.00 0.00 46.19 46.65 1pjz s LEU 139 CO 0.24 -0.91 0.00 1.21 0.02 0.00 0.00 176.35 176.91 1pjz n GLU 140 N -0.38 0.00 0.00 1.70 2.13 -0.46 -3.09 120.64 120.54 1pjz n GLU 140 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1pjz n GLU 140 Cb 0.65 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.36 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 -1.59 0.00 -0.54 4.31 4.02 -1.26 -4.42 117.16 117.69 1pjz n TYR 141 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.72 1pjz n TYR 141 Cb 0.00 -0.02 -0.00 0.00 -0.02 0.00 0.00 39.34 39.30 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 -0.96 -1.20 0.00 7.72 5.75 -1.26 -4.63 116.55 121.96 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 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 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 0.56 0.00 -2.48 0.11 -0.00 -1.26 -3.94 117.38 110.36 1pjz n GLN 143 Ca 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 57.00 56.89 1pjz n GLN 143 Cb 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 30.24 30.43 1pjz n GLN 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pjz n ALA 144 N 0.00 4.12 0.00 2.61 0.00 -1.26 -4.48 120.51 121.49 1pjz n ALA 144 Ca 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 49.88 1pjz n ALA 144 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.46 0.00 -4.87 0.00 -0.00 -1.26 -5.14 117.00 105.26 1pjz n LEU 145 Ca 0.26 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.96 1pjz n LEU 145 Cb 0.81 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.19 1pjz n LEU 145 CO 0.28 0.00 0.40 -0.22 -0.00 0.00 0.00 177.39 177.85 1pjz s LEU 146 N 0.00 3.92 -0.25 1.47 0.20 -1.26 -4.87 118.68 117.89 1pjz s LEU 146 Ca 0.00 1.11 -0.30 0.00 0.69 0.00 0.00 54.13 55.63 1pjz s LEU 146 Cb 0.00 -3.97 -0.07 0.00 -0.43 0.00 0.00 46.19 41.72 1pjz s LEU 146 CO 0.00 -0.32 2.21 -1.84 -0.29 0.00 0.00 176.35 176.11 1pjz n GLU 147 N -1.00 1.70 -0.96 1.98 0.28 -1.26 -4.52 120.64 116.86 1pjz n GLU 147 Ca 0.02 0.47 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 1pjz n GLU 147 Cb 0.54 -3.00 0.00 0.00 1.43 0.00 0.00 31.44 30.41 1pjz n GLU 147 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pjz n GLY 148 N 5.98 -3.66 3.60 -1.84 0.00 -1.26 -4.75 105.19 103.26 1pjz n GLY 148 Ca 0.33 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 -4.81 3.55 -0.33 1.61 0.04 -1.26 -4.57 135.00 129.23 1pjz s PRO 149 Ca 0.00 0.92 -0.29 0.00 0.04 0.00 0.00 61.00 61.67 1pjz s PRO 149 Cb 0.00 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1pjz s PRO 149 CO 0.00 -1.60 1.37 -1.25 0.04 0.00 0.00 177.00 175.56 1pjz s PRO 150 N 4.99 3.79 -1.14 0.56 0.04 -1.25 -4.45 135.00 137.53 1pjz s PRO 150 Ca 0.61 1.18 -0.13 0.00 0.04 0.00 0.00 61.00 62.70 1pjz s PRO 150 Cb -0.14 -3.94 0.19 0.00 0.04 0.00 0.00 34.50 30.65 1pjz s PRO 150 CO 0.32 -1.29 1.30 0.12 0.04 0.00 0.00 177.00 177.50 1pjz s PHE 151 N 4.80 3.64 -0.28 0.56 2.19 0.32 -4.57 117.98 124.65 1pjz s PHE 151 Ca 0.59 -2.17 -0.07 0.00 0.33 0.00 0.00 56.93 55.61 1pjz s PHE 151 Cb -0.16 -4.18 -0.07 0.00 -1.31 0.00 0.00 43.02 37.29 1pjz s PHE 151 CO 0.27 -1.29 0.72 -1.13 1.83 0.00 0.00 175.22 175.62 1pjz n SER 152 N 5.03 -0.02 -4.69 6.13 3.41 -1.18 -4.45 113.62 117.84 1pjz n SER 152 Ca 0.31 0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.51 1pjz n SER 152 Cb 0.43 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1pjz n SER 152 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pjz s VAL 153 N 2.00 3.70 -0.27 -3.33 0.11 -1.26 -4.95 120.40 116.40 1pjz s VAL 153 Ca 0.38 1.11 -0.29 0.00 -2.93 0.00 0.00 61.98 60.25 1pjz s VAL 153 Cb -0.33 -3.71 -0.00 0.00 -1.53 0.00 0.00 36.38 30.80 1pjz s VAL 153 CO 0.14 0.01 1.33 -2.16 -3.33 0.00 0.00 175.10 171.09 1pjz s PRO 154 N 2.18 3.96 0.51 1.54 0.04 -1.26 -4.87 135.00 137.10 1pjz s PRO 154 Ca 0.63 1.37 0.42 0.00 0.04 0.00 0.00 61.00 63.47 1pjz s PRO 154 Cb -0.32 -3.88 1.63 0.00 0.04 0.00 0.00 34.50 31.98 1pjz s PRO 154 CO 0.27 -1.06 1.59 1.96 0.04 0.00 0.00 177.00 179.79 1pjz h GLN 155 N 9.25 0.01 -0.70 4.56 7.50 -1.96 2.40 115.11 136.17 1pjz h GLN 155 Ca -0.27 -0.00 0.10 0.00 0.50 0.00 0.00 58.65 58.98 1pjz h GLN 155 Cb 1.10 -0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.59 1pjz h GLN 155 CO 1.02 0.01 0.46 0.00 -1.50 0.00 0.00 178.83 178.82 1pjz h THR 156 N 0.01 0.91 0.70 -0.54 1.03 -1.97 0.94 112.91 113.99 1pjz h THR 156 Ca 0.90 -0.19 -0.03 0.00 -0.01 0.00 0.00 66.41 67.08 1pjz h THR 156 Cb 3.31 0.32 0.01 0.00 -1.07 0.00 0.00 68.15 70.71 1pjz h THR 156 CO -0.20 0.10 -0.33 -0.25 -0.01 0.00 0.00 175.52 174.82 1pjz h TRP 157 N 0.54 -0.87 -0.61 0.00 7.01 0.37 0.58 115.95 122.98 1pjz h TRP 157 Ca 0.32 -0.02 0.18 0.00 2.11 0.00 0.00 58.89 61.48 1pjz h TRP 157 Cb 0.53 0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.85 1pjz h TRP 157 CO -0.00 -0.51 0.52 -0.07 -2.79 0.00 0.00 178.44 175.58 1pjz h LEU 158 N -1.16 0.00 0.00 0.65 3.38 -1.37 1.70 115.31 118.51 1pjz h LEU 158 Ca -0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1pjz h LEU 158 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1pjz h LEU 158 CO 0.16 0.00 -0.60 -0.74 0.09 0.00 0.00 178.44 177.35 1pjz h HIS 159 N 0.00 0.00 0.08 1.13 6.17 -0.28 0.70 115.15 122.95 1pjz h HIS 159 Ca 0.29 0.00 -0.28 0.00 0.71 0.00 0.00 60.37 61.09 1pjz h HIS 159 Cb 1.32 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 31.24 1pjz h HIS 159 CO 0.00 0.22 -1.42 0.07 0.71 0.00 0.00 177.93 177.51 1pjz h ARG 160 N 0.00 0.18 0.00 5.26 0.11 0.78 -3.33 114.38 117.38 1pjz h ARG 160 Ca -0.03 -0.30 0.00 0.00 0.10 0.00 0.00 59.98 59.75 1pjz h ARG 160 Cb 1.19 0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.39 1pjz h ARG 160 CO 0.02 1.03 -0.20 1.55 0.10 0.00 0.00 179.97 182.48 1pjz n VAL 161 N -3.39 0.92 0.00 0.08 3.14 0.17 -4.58 118.33 114.67 1pjz n VAL 161 Ca -0.13 0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 1pjz n VAL 161 Cb 1.02 -1.61 0.00 0.00 -1.06 0.00 0.00 33.84 32.19 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 -3.40 0.00 -3.24 1.45 2.81 0.22 -4.11 117.12 110.86 1pjz n MET 162 Ca -0.03 0.00 -0.46 0.00 -1.81 0.00 0.00 57.70 55.40 1pjz n MET 162 Cb 0.10 -1.20 -0.03 0.00 -0.71 0.00 0.00 33.22 31.39 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 -1.73 6.65 0.00 7.83 0.15 0.07 -4.16 113.70 122.52 1pjz s SER 163 Ca 0.00 -2.41 0.00 0.00 0.70 0.00 0.00 55.95 54.24 1pjz s SER 163 Cb 0.00 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1pjz s SER 163 CO 0.00 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1pjz n GLY 164 N 4.45 -0.76 0.00 9.45 0.00 -1.26 -4.93 105.19 112.15 1pjz n GLY 164 Ca 0.12 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.73 1.61 3.02 -1.26 -5.11 115.26 109.78 1pjz n ASN 165 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1pjz n ASN 165 Cb 0.00 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 1pjz n ASN 165 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 1pjz s TRP 166 N 0.00 -0.29 -1.00 3.10 -2.14 -1.26 -0.90 118.94 116.46 1pjz s TRP 166 Ca 0.00 0.72 -0.22 0.00 2.66 0.00 0.00 56.10 59.26 1pjz s TRP 166 Cb 0.00 0.02 0.07 0.00 -3.10 0.00 0.00 33.47 30.46 1pjz s TRP 166 CO 0.00 -0.22 1.37 -1.21 -2.66 0.00 0.00 176.95 174.23 1pjz s GLU 167 N 1.24 3.59 0.72 3.25 2.02 -0.28 -4.53 118.70 124.71 1pjz s GLU 167 Ca -0.09 -1.26 -0.12 0.00 0.02 0.00 0.00 54.97 53.51 1pjz s GLU 167 Cb -0.11 -5.24 0.03 0.00 0.10 0.00 0.00 34.13 28.91 1pjz s GLU 167 CO -0.08 -2.11 1.10 0.14 0.02 0.00 0.00 175.26 174.33 1pjz s VAL 168 N 4.44 3.31 -0.24 2.63 -7.23 -1.26 -1.00 120.40 121.06 1pjz s VAL 168 Ca 0.43 0.51 -0.21 0.00 -1.81 0.00 0.00 61.98 60.89 1pjz s VAL 168 Cb -0.01 -3.01 0.06 0.00 0.56 0.00 0.00 36.38 33.98 1pjz s VAL 168 CO -0.10 -0.48 0.62 -0.89 -0.31 0.00 0.00 175.10 173.95 1pjz s THR 169 N -2.66 -0.00 0.52 5.32 2.01 0.32 -4.85 115.64 116.30 1pjz s THR 169 Ca 0.64 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.44 1pjz s THR 169 Cb -0.18 -0.87 -0.07 0.00 0.01 0.00 0.00 72.50 71.38 1pjz s THR 169 CO 0.49 0.00 1.10 -1.59 -0.69 0.00 0.00 174.62 173.93 1pjz s LYS 170 N 0.45 3.53 0.06 4.92 -2.85 -1.26 0.03 119.74 124.62 1pjz s LYS 170 Ca -0.01 1.53 -0.28 0.00 -1.00 0.00 0.00 55.97 56.21 1pjz s LYS 170 Cb -0.05 -2.05 0.09 0.00 -2.06 0.00 0.00 37.83 33.77 1pjz s LYS 170 CO -0.01 -0.69 1.13 0.54 0.10 0.00 0.00 175.35 176.42 1pjz s VAL 171 N -1.84 0.00 0.00 1.79 0.11 0.14 -4.76 120.40 115.84 1pjz s VAL 171 Ca 0.70 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 1pjz s VAL 171 Cb -0.21 -1.97 0.00 0.00 -1.53 0.00 0.00 36.38 32.67 1pjz s VAL 171 CO 0.25 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1pjz n GLY 172 N -0.47 -0.55 0.00 6.54 0.00 -1.26 -0.64 105.19 108.80 1pjz n GLY 172 Ca -0.07 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.76 3.94 -0.02 0.00 -0.09 -4.86 105.19 102.40 1pjz n GLY 173 Ca 0.00 -1.15 -0.20 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.63 3.09 0.00 1.61 -2.07 -1.26 -1.14 119.66 118.26 1pjz s GLN 174 Ca 0.00 -1.02 0.00 0.00 -1.82 0.00 0.00 55.36 52.52 1pjz s GLN 174 Cb 0.00 -2.74 0.00 0.00 -1.09 0.00 0.00 33.01 29.18 1pjz s GLN 174 CO 0.00 0.19 0.00 -3.47 -1.32 0.00 0.00 175.29 170.69 1pjz n ASP 175 N -1.49 0.00 -3.95 12.60 -0.08 -1.26 -4.85 116.55 117.52 1pjz n ASP 175 Ca -0.03 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.87 1pjz n ASP 175 Cb 0.58 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.01 1pjz n ASP 175 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1pjz n THR 176 N -2.00 3.96 0.14 5.18 5.66 -1.26 -4.73 114.28 121.24 1pjz n THR 176 Ca 0.00 -5.49 0.11 0.00 -3.05 0.00 0.00 64.05 55.63 1pjz n THR 176 Cb 0.00 -2.23 -0.00 0.00 -1.55 0.00 0.00 70.33 66.54 1pjz n THR 176 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1pjz n LEU 177 N 1.66 0.76 -0.23 1.09 -0.00 -1.20 -3.71 117.00 115.38 1pjz n LEU 177 Ca 0.25 0.28 0.00 0.00 -0.00 0.00 0.00 56.01 56.55 1pjz n LEU 177 Cb 0.37 -0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1pjz n LEU 177 CO 0.52 -0.16 0.34 1.41 -0.00 0.00 0.00 177.39 179.50 1pjz n HIS 178 N -2.59 0.00 0.00 1.96 -0.00 -1.26 -2.40 115.22 110.94 1pjz n HIS 178 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.83 1pjz n HIS 178 Cb 0.54 -0.04 -0.17 0.00 -0.00 0.00 0.00 29.99 30.32 1pjz n HIS 178 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1pjz n SER 179 N -0.24 0.01 -4.51 0.41 2.88 -1.24 -4.80 113.62 106.13 1pjz n SER 179 Ca 0.00 -0.01 -0.24 0.00 -1.33 0.00 0.00 58.87 57.29 1pjz n SER 179 Cb 0.10 1.98 -0.10 0.00 -0.75 0.00 0.00 64.21 65.45 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 -4.50 3.78 -0.10 -3.46 0.15 -1.01 -1.53 113.70 107.03 1pjz s SER 180 Ca -0.08 -0.98 0.10 0.00 0.70 0.00 0.00 55.95 55.69 1pjz s SER 180 Cb 0.14 -0.40 -0.24 0.00 -1.71 0.00 0.00 66.02 63.81 1pjz s SER 180 CO 0.91 0.00 0.44 0.00 1.20 0.00 0.00 173.24 175.79 1pjz n ALA 181 N -0.69 1.38 0.02 5.45 0.00 -1.26 -4.00 120.51 121.41 1pjz n ALA 181 Ca -0.05 -0.87 0.21 0.00 0.00 0.00 0.00 53.44 52.73 1pjz n ALA 181 Cb 0.60 -0.64 0.55 0.00 0.00 0.00 0.00 19.45 19.96 1pjz n ALA 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz h ARG 182 N 0.01 0.00 -0.01 0.00 2.47 -1.96 0.58 114.38 115.47 1pjz h ARG 182 Ca -0.38 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.34 1pjz h ARG 182 Cb 2.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.38 1pjz h ARG 182 CO 0.06 0.00 -0.01 0.78 0.56 0.00 0.00 179.97 181.36 1pjz h GLY 183 N 0.00 0.02 2.00 0.04 0.00 -1.85 -1.31 103.07 101.97 1pjz h GLY 183 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1pjz h GLY 183 CO -0.00 0.02 0.00 1.41 0.00 0.00 0.00 176.54 177.97 1pjz h LEU 184 N -0.57 0.00 0.09 3.11 -0.00 -0.20 0.95 115.31 118.69 1pjz h LEU 184 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1pjz h LEU 184 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 1pjz h LEU 184 CO 0.00 0.00 -0.04 0.50 -0.00 0.00 0.00 178.44 178.90 1pjz h LYS 185 N 0.00 -0.12 -0.07 1.13 3.64 -0.70 -3.36 116.57 117.09 1pjz h LYS 185 Ca 0.00 0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1pjz h LYS 185 Cb 0.48 0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1pjz h LYS 185 CO 0.00 0.12 -0.87 0.00 -2.27 0.00 0.00 179.45 176.43 1pjz h ALA 186 N -0.79 0.20 0.00 5.00 0.00 -1.20 -3.49 119.26 118.98 1pjz h ALA 186 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1pjz h ALA 186 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1pjz h ALA 186 CO 0.02 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.32 1pjz n GLY 187 N 0.90 0.81 0.15 0.00 0.00 0.31 -4.91 105.19 102.46 1pjz n GLY 187 Ca -0.09 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 1pjz n GLY 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pjz n LEU 188 N 0.00 2.65 -1.78 0.99 4.32 -0.36 -4.98 117.00 117.84 1pjz n LEU 188 Ca 0.00 -0.03 -0.11 0.00 -0.02 0.00 0.00 56.01 55.85 1pjz n LEU 188 Cb 0.00 -0.44 -0.03 0.00 -1.62 0.00 0.00 43.42 41.33 1pjz n LEU 188 CO 0.00 0.64 -0.12 -1.84 -1.22 0.00 0.00 177.39 174.85 1pjz n GLU 189 N -3.00 -1.68 0.00 3.23 0.28 -1.26 -4.74 120.64 113.47 1pjz n GLU 189 Ca -0.23 0.60 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 1pjz n GLU 189 Cb 0.73 -4.96 0.00 0.00 1.43 0.00 0.00 31.44 28.64 1pjz n GLU 189 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1pjz n ARG 190 N -2.15 0.00 -3.62 3.44 1.85 -1.26 -4.98 116.66 109.93 1pjz n ARG 190 Ca -0.12 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.66 1pjz n ARG 190 Cb 0.46 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.81 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 0.00 0.37 0.23 2.89 0.23 -1.26 -4.88 119.30 116.88 1pjz s MET 191 Ca 0.00 0.25 -0.30 0.00 -1.03 0.00 0.00 55.69 54.61 1pjz s MET 191 Cb 0.00 0.18 -0.10 0.00 -1.53 0.00 0.00 34.83 33.38 1pjz s MET 191 CO 0.00 -0.08 1.40 -0.51 -2.03 0.00 0.00 175.02 173.79 1pjz s ASP 192 N -0.44 6.74 -0.19 -1.18 1.01 -1.26 -3.25 116.67 118.09 1pjz s ASP 192 Ca 0.03 2.57 0.01 0.00 0.71 0.00 0.00 52.55 55.87 1pjz s ASP 192 Cb -0.03 -2.62 0.04 0.00 1.01 0.00 0.00 42.92 41.32 1pjz s ASP 192 CO -0.06 -0.64 -0.10 -0.70 0.21 0.00 0.00 175.17 173.88 1pjz s GLU 193 N -0.25 2.00 -0.24 8.23 2.12 -0.30 -1.35 118.70 128.91 1pjz s GLU 193 Ca 0.59 -0.78 -0.09 0.00 0.36 0.00 0.00 54.97 55.05 1pjz s GLU 193 Cb -0.40 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 1pjz s GLU 193 CO 0.41 -0.41 0.11 -1.01 -0.54 0.00 0.00 175.26 173.83 1pjz s HIS 194 N 1.43 3.19 0.11 5.30 3.76 0.15 -0.91 115.29 128.31 1pjz s HIS 194 Ca -0.00 -0.08 0.08 0.00 -0.15 0.00 0.00 55.06 54.90 1pjz s HIS 194 Cb -0.16 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.24 1pjz s HIS 194 CO -0.08 -0.14 -0.14 0.08 -0.85 0.00 0.00 174.74 173.61 1pjz s VAL 195 N 1.34 3.14 -0.16 -0.90 1.01 0.18 0.57 120.40 125.58 1pjz s VAL 195 Ca 0.06 -1.37 -0.05 0.00 0.00 0.00 0.00 61.98 60.62 1pjz s VAL 195 Cb -0.15 -2.46 0.08 0.00 0.00 0.00 0.00 36.38 33.85 1pjz s VAL 195 CO 0.05 0.11 0.29 -0.72 0.00 0.00 0.00 175.10 174.83 1pjz s TYR 196 N -1.18 -0.50 0.72 5.22 -0.85 -0.60 0.27 117.35 120.44 1pjz s TYR 196 Ca 0.20 0.97 -0.09 0.00 -0.52 0.00 0.00 57.07 57.63 1pjz s TYR 196 Cb -0.11 -0.01 0.05 0.00 0.38 0.00 0.00 41.96 42.27 1pjz s TYR 196 CO 0.12 -0.43 1.07 0.08 -1.52 0.00 0.00 175.55 174.87 1pjz s VAL 197 N 2.45 2.66 -0.30 -3.49 1.01 0.10 -1.55 120.40 121.29 1pjz s VAL 197 Ca 0.02 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1pjz s VAL 197 Cb -0.13 -3.18 0.18 0.00 0.00 0.00 0.00 36.38 33.26 1pjz s VAL 197 CO -0.10 -0.21 0.71 -1.48 0.00 0.00 0.00 175.10 174.01 1pjz s LEU 198 N -5.34 -1.16 -0.68 3.92 2.34 0.71 0.12 118.68 118.57 1pjz s LEU 198 Ca 0.59 0.77 -0.27 0.00 0.06 0.00 0.00 54.13 55.28 1pjz s LEU 198 Cb -0.11 1.99 0.01 0.00 -0.56 0.00 0.00 46.19 47.52 1pjz s LEU 198 CO 0.48 -0.22 1.49 -0.70 -1.06 0.00 0.00 176.35 176.34 1pjz s GLU 199 N 2.88 3.00 -0.56 1.48 -6.30 -0.17 0.57 118.70 119.60 1pjz s GLU 199 Ca 0.15 0.10 -0.27 0.00 -2.50 0.00 0.00 54.97 52.45 1pjz s GLU 199 Cb -0.14 -4.25 -0.03 0.00 0.00 0.00 0.00 34.13 29.72 1pjz s GLU 199 CO -0.19 -2.34 1.91 0.50 0.02 0.00 0.00 175.26 175.16 1pjz s ARG 200 N 6.17 2.67 0.00 4.30 3.00 0.16 -1.13 118.95 134.13 1pjz s ARG 200 Ca 0.47 0.80 0.29 0.00 -1.00 0.00 0.00 55.73 56.29 1pjz s ARG 200 Cb -0.10 -4.38 1.28 0.00 0.00 0.00 0.00 34.95 31.75 1pjz s ARG 200 CO 0.18 -2.67 1.87 1.33 0.00 0.00 0.00 175.30 176.01