#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 -0.04 0.20 -0.41 -0.06 -1.26 0.63 117.38 116.44 1pjz n GLN 2 Ca 0.00 1.25 -0.16 0.00 -2.00 0.00 0.00 57.00 56.08 1pjz n GLN 2 Cb 0.00 -2.46 -0.09 0.00 -4.06 0.00 0.00 30.24 23.64 1pjz n GLN 2 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1pjz h SER 3 N 0.00 -1.27 -2.46 1.69 0.87 -2.00 -3.37 113.55 107.00 1pjz h SER 3 Ca 0.88 0.12 -0.58 0.00 -1.23 0.00 0.00 61.79 60.97 1pjz h SER 3 Cb 2.83 0.45 -0.38 0.00 -0.44 0.00 0.00 62.40 64.86 1pjz h SER 3 CO -0.46 -0.56 -0.91 -1.83 -0.53 0.00 0.00 176.83 172.53 1pjz s GLU 4 N -5.90 0.72 -0.53 2.24 -1.05 0.20 -5.03 118.70 109.36 1pjz s GLU 4 Ca -0.17 -1.72 0.05 0.00 -0.15 0.00 0.00 54.97 52.98 1pjz s GLU 4 Cb 0.06 -1.34 0.18 0.00 -0.44 0.00 0.00 34.13 32.59 1pjz s GLU 4 CO 0.62 -1.30 0.44 1.55 0.95 0.00 0.00 175.26 177.52 1pjz n VAL 5 N 3.44 0.06 -2.76 1.83 3.14 -0.62 -4.24 118.33 119.18 1pjz n VAL 5 Ca 0.21 -4.10 0.00 0.00 -2.96 0.00 0.00 64.34 57.49 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 0.59 -6.46 0.00 0.00 176.83 170.96 1pjz n ASN 6 N 2.26 -6.11 -0.36 6.55 3.02 0.51 -3.44 115.26 117.70 1pjz n ASN 6 Ca 0.26 0.56 0.27 0.00 -0.03 0.00 0.00 54.58 55.64 1pjz n ASN 6 Cb 0.43 -1.35 0.53 0.00 -0.61 0.00 0.00 39.78 38.78 1pjz n ASN 6 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1pjz h LYS 7 N 3.88 0.29 -0.09 3.52 5.09 -1.91 0.73 116.57 128.09 1pjz h LYS 7 Ca 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 60.65 60.71 1pjz h LYS 7 Cb 0.48 -0.07 -0.00 0.00 0.10 0.00 0.00 32.23 32.74 1pjz h LYS 7 CO 0.00 0.19 -0.01 0.38 -2.09 0.00 0.00 179.45 177.92 1pjz h ASP 8 N 0.30 0.16 0.07 7.07 3.04 -1.97 0.26 116.42 125.35 1pjz h ASP 8 Ca 0.70 -0.34 0.00 0.00 -3.24 0.00 0.00 57.03 54.16 1pjz h ASP 8 Cb 1.83 -0.04 -0.02 0.00 -1.04 0.00 0.00 39.33 40.06 1pjz h ASP 8 CO -0.44 0.46 -0.23 0.25 -2.04 0.00 0.00 179.24 177.24 1pjz h LEU 9 N -0.15 -0.68 -1.63 0.15 7.12 0.19 1.48 115.31 121.80 1pjz h LEU 9 Ca 0.02 0.07 0.11 0.00 0.13 0.00 0.00 57.88 58.21 1pjz h LEU 9 Cb 0.39 0.25 -0.04 0.00 -0.53 0.00 0.00 40.66 40.73 1pjz h LEU 9 CO 0.01 -0.24 0.43 0.06 -0.13 0.00 0.00 178.44 178.56 1pjz h GLN 10 N -0.33 0.40 0.00 1.25 3.07 -1.12 0.29 115.11 118.66 1pjz h GLN 10 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1pjz h GLN 10 Cb 0.33 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.80 1pjz h GLN 10 CO -0.12 0.26 0.00 0.94 0.09 0.00 0.00 178.83 180.01 1pjz n GLN 11 N -4.47 0.00 -0.26 0.06 -0.06 0.92 -1.00 117.38 112.57 1pjz n GLN 11 Ca 0.11 0.05 -0.03 0.00 -2.00 0.00 0.00 57.00 55.13 1pjz n GLN 11 Cb 0.41 -0.81 0.03 0.00 -4.06 0.00 0.00 30.24 25.81 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 -0.89 -0.02 3.69 0.05 0.20 0.14 116.97 120.15 1pjz h TYR 12 Ca 0.00 0.08 0.03 0.00 0.05 0.00 0.00 58.73 58.89 1pjz h TYR 12 Cb 0.00 0.50 -0.06 0.00 1.01 0.00 0.00 36.73 38.18 1pjz h TYR 12 CO 0.01 -0.38 -0.41 2.35 -1.05 0.00 0.00 178.16 178.68 1pjz h TRP 13 N -0.10 -1.17 -1.16 4.88 2.91 -0.52 2.40 115.95 123.19 1pjz h TRP 13 Ca 0.28 0.04 0.33 0.00 1.13 0.00 0.00 58.89 60.67 1pjz h TRP 13 Cb 0.57 0.51 -0.09 0.00 -0.51 0.00 0.00 29.16 29.64 1pjz h TRP 13 CO -0.69 -0.49 0.77 0.77 -1.03 0.00 0.00 178.44 177.77 1pjz h SER 14 N -0.56 0.29 0.12 2.65 0.02 0.93 0.28 113.55 117.29 1pjz h SER 14 Ca 0.05 0.07 -0.20 0.00 -0.84 0.00 0.00 61.79 60.87 1pjz h SER 14 Cb 0.64 0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.23 1pjz h SER 14 CO -0.32 0.00 -0.96 0.28 -1.14 0.00 0.00 176.83 174.69 1pjz h SER 15 N 0.23 0.40 -0.96 3.07 0.02 0.20 -3.31 113.55 113.20 1pjz h SER 15 Ca 0.65 -0.91 0.27 0.00 -0.84 0.00 0.00 61.79 60.95 1pjz h SER 15 Cb 1.98 -0.13 -0.14 0.00 0.14 0.00 0.00 62.40 64.25 1pjz h SER 15 CO -0.25 1.44 0.47 -0.07 -1.14 0.00 0.00 176.83 177.28 1pjz h LEU 16 N -0.41 0.41 -1.12 5.07 -0.00 0.73 -3.45 115.31 116.54 1pjz h LEU 16 Ca -0.19 0.17 -0.29 0.00 -0.00 0.00 0.00 57.88 57.58 1pjz h LEU 16 Cb 1.63 0.14 0.11 0.00 -0.00 0.00 0.00 40.66 42.54 1pjz h LEU 16 CO 0.10 -0.06 -0.53 -3.20 -0.00 0.00 0.00 178.44 174.75 1pjz n ASN 17 N -5.05 -4.41 -4.51 -0.43 2.85 -0.16 -4.91 115.26 98.65 1pjz n ASN 17 Ca 0.27 -0.42 -0.42 0.00 -0.11 0.00 0.00 54.58 53.90 1pjz n ASN 17 Cb 0.80 -3.94 0.01 0.00 1.24 0.00 0.00 39.78 37.89 1pjz n ASN 17 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1pjz n VAL 18 N -4.11 2.05 -1.49 3.44 0.31 -1.26 -4.85 118.33 112.42 1pjz n VAL 18 Ca -0.06 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.40 1pjz n VAL 18 Cb 0.57 -0.74 0.06 0.00 -0.91 0.00 0.00 33.84 32.82 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 -0.75 3.00 -2.33 2.52 0.24 -1.26 -4.84 118.33 114.90 1pjz n VAL 19 Ca 0.11 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.53 1pjz n VAL 19 Cb 0.39 -0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 31.77 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 -2.69 3.28 0.00 7.34 0.04 -1.26 -2.13 135.00 139.58 1pjz s PRO 20 Ca 0.73 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1pjz s PRO 20 Cb -0.40 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.00 1pjz s PRO 20 CO 0.50 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 176.00 1pjz n GLY 21 N 5.29 0.86 3.18 0.56 0.00 -1.23 -5.06 105.19 108.78 1pjz n GLY 21 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.84 -3.77 -2.63 4.61 0.00 -0.91 -3.28 120.51 113.69 1pjz n ALA 22 Ca 0.00 -0.28 -0.38 0.00 0.00 0.00 0.00 53.44 52.77 1pjz n ALA 22 Cb 0.00 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.04 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 -1.50 4.30 -0.35 0.00 1.81 -0.77 -1.47 118.95 120.97 1pjz s ARG 23 Ca 0.52 0.57 -0.07 0.00 -1.72 0.00 0.00 55.73 55.02 1pjz s ARG 23 Cb -0.38 -3.39 0.04 0.00 -0.45 0.00 0.00 34.95 30.78 1pjz s ARG 23 CO 0.71 0.27 0.12 0.08 -0.68 0.00 0.00 175.30 175.80 1pjz s VAL 24 N 0.21 3.90 -0.04 3.52 1.01 0.81 -1.79 120.40 128.02 1pjz s VAL 24 Ca 0.28 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1pjz s VAL 24 Cb -0.16 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1pjz s VAL 24 CO 0.13 -0.20 1.01 -0.22 0.00 0.00 0.00 175.10 175.82 1pjz s LEU 25 N 1.42 4.32 -0.54 3.92 1.98 -0.33 -1.46 118.68 127.99 1pjz s LEU 25 Ca -0.01 1.64 0.03 0.00 -2.89 0.00 0.00 54.13 52.90 1pjz s LEU 25 Cb -0.20 -3.57 0.14 0.00 0.66 0.00 0.00 46.19 43.22 1pjz s LEU 25 CO 0.03 -0.35 0.29 -0.69 -1.89 0.00 0.00 176.35 173.74 1pjz s VAL 26 N 1.42 2.80 -0.36 1.68 1.01 -1.13 -1.17 120.40 124.64 1pjz s VAL 26 Ca 0.51 -3.24 -0.29 0.00 0.00 0.00 0.00 61.98 58.96 1pjz s VAL 26 Cb -0.21 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1pjz s VAL 26 CO 0.24 -0.81 1.38 -2.16 0.00 0.00 0.00 175.10 173.75 1pjz s PRO 27 N -0.23 3.71 -0.23 2.72 0.04 -1.25 -0.99 135.00 138.77 1pjz s PRO 27 Ca 0.17 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1pjz s PRO 27 Cb -0.25 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1pjz s PRO 27 CO -0.01 -1.39 0.00 1.47 0.04 0.00 0.00 177.00 177.11 1pjz n LEU 28 N 8.37 -0.22 -0.06 -3.56 -0.00 0.46 -4.43 117.00 117.56 1pjz n LEU 28 Ca 0.16 0.32 -0.09 0.00 -0.00 0.00 0.00 56.01 56.40 1pjz n LEU 28 Cb 0.47 -1.10 -0.15 0.00 -0.00 0.00 0.00 43.42 42.64 1pjz n LEU 28 CO 0.67 -0.06 -0.84 0.00 -0.00 0.00 0.00 177.39 177.16 1pjz n GLY 30 N 1.66 3.39 3.92 0.00 0.00 -1.13 -4.62 105.19 108.40 1pjz n GLY 30 Ca -0.25 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 2.77 0.00 1.61 2.20 -1.26 -4.89 119.74 120.17 1pjz s LYS 31 Ca 0.00 -1.30 0.00 0.00 -0.36 0.00 0.00 55.97 54.31 1pjz s LYS 31 Cb 0.00 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.74 1pjz s LYS 31 CO 0.00 -0.08 0.00 0.45 -0.36 0.00 0.00 175.35 175.36 1pjz n SER 32 N -1.58 0.00 -0.32 1.43 2.88 -1.26 -4.94 113.62 109.83 1pjz n SER 32 Ca 0.02 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.70 1pjz n SER 32 Cb 0.60 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.37 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 0.50 0.50 -1.46 1.08 -1.92 -0.34 115.11 113.46 1pjz h GLN 33 Ca 0.00 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1pjz h GLN 33 Cb 0.00 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 1pjz h GLN 33 CO 0.00 0.33 -0.42 0.38 -0.95 0.00 0.00 178.83 178.16 1pjz h ASP 34 N 0.51 -1.13 -0.55 1.46 2.03 -1.91 0.42 116.42 117.25 1pjz h ASP 34 Ca 0.57 0.09 0.11 0.00 -0.73 0.00 0.00 57.03 57.06 1pjz h ASP 34 Cb 1.03 0.37 -0.11 0.00 -0.83 0.00 0.00 39.33 39.78 1pjz h ASP 34 CO -0.48 -0.60 -0.23 -0.03 -1.03 0.00 0.00 179.24 176.88 1pjz h MET 35 N -0.91 -0.09 -0.83 4.15 4.05 -1.47 0.48 114.93 120.30 1pjz h MET 35 Ca -0.05 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1pjz h MET 35 Cb 0.79 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.57 1pjz h MET 35 CO -0.02 -0.06 0.53 0.77 0.23 0.00 0.00 176.91 178.36 1pjz h SER 36 N -0.10 0.97 -0.85 1.39 0.02 -0.91 0.24 113.55 114.32 1pjz h SER 36 Ca 0.25 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1pjz h SER 36 Cb 0.49 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1pjz h SER 36 CO -0.61 0.72 0.41 -0.25 -1.14 0.00 0.00 176.83 175.95 1pjz h TRP 37 N 1.13 1.22 0.30 3.45 7.01 0.34 0.68 115.95 130.09 1pjz h TRP 37 Ca 0.30 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 1pjz h TRP 37 Cb -0.10 -0.38 0.00 0.00 -2.10 0.00 0.00 29.16 26.58 1pjz h TRP 37 CO 0.00 0.88 -0.15 -0.07 -2.79 0.00 0.00 178.44 176.32 1pjz h LEU 38 N 1.21 -0.35 -1.71 0.65 3.38 0.12 0.91 115.31 119.53 1pjz h LEU 38 Ca 0.29 0.01 0.42 0.00 0.09 0.00 0.00 57.88 58.69 1pjz h LEU 38 Cb 0.11 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 1pjz h LEU 38 CO -0.04 -0.16 0.97 0.28 0.09 0.00 0.00 178.44 179.57 1pjz h SER 39 N -0.58 0.15 0.14 -0.43 0.02 -0.55 1.54 113.55 113.84 1pjz h SER 39 Ca -0.04 0.06 -0.25 0.00 -0.84 0.00 0.00 61.79 60.72 1pjz h SER 39 Cb 0.31 0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.91 1pjz h SER 39 CO 0.07 -0.05 -0.99 1.23 -1.14 0.00 0.00 176.83 175.95 1pjz h GLY 40 N 0.09 0.65 1.76 -3.77 0.00 -0.73 -3.22 103.07 97.86 1pjz h GLY 40 Ca 0.75 -1.13 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 1pjz h GLY 40 CO -0.19 1.00 -0.56 1.46 0.00 0.00 0.00 176.54 178.25 1pjz h GLN 41 N 0.33 0.25 0.00 4.80 1.08 0.45 -3.48 115.11 118.54 1pjz h GLN 41 Ca -0.11 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1pjz h GLN 41 Cb 1.63 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 29.08 1pjz h GLN 41 CO 0.19 0.75 0.00 0.41 -0.95 0.00 0.00 178.83 179.22 1pjz n GLY 42 N 0.18 0.72 3.39 3.46 0.00 0.16 -5.06 105.19 108.05 1pjz n GLY 42 Ca -0.02 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.20 1.71 -0.77 1.61 1.51 -1.19 -3.53 117.35 115.49 1pjz s TYR 43 Ca 0.00 -1.17 -0.14 0.00 -1.01 0.00 0.00 57.07 54.75 1pjz s TYR 43 Cb 0.00 -1.05 0.20 0.00 -0.11 0.00 0.00 41.96 41.01 1pjz s TYR 43 CO 0.00 -0.27 0.72 -1.01 -1.11 0.00 0.00 175.55 173.89 1pjz s HIS 44 N -3.50 3.66 -0.23 2.71 3.76 -0.54 -4.62 115.29 116.52 1pjz s HIS 44 Ca 0.35 -1.85 -0.24 0.00 -0.15 0.00 0.00 55.06 53.16 1pjz s HIS 44 Cb 0.07 -3.82 -0.01 0.00 1.11 0.00 0.00 32.58 29.92 1pjz s HIS 44 CO 0.15 -1.00 0.81 0.08 -0.85 0.00 0.00 174.74 173.93 1pjz s VAL 45 N 0.47 4.86 -0.15 -0.90 1.01 -1.26 -0.13 120.40 124.30 1pjz s VAL 45 Ca 0.15 1.54 -0.04 0.00 0.00 0.00 0.00 61.98 63.63 1pjz s VAL 45 Cb -0.14 -4.10 0.07 0.00 0.00 0.00 0.00 36.38 32.21 1pjz s VAL 45 CO -0.07 -0.04 0.21 0.54 0.00 0.00 0.00 175.10 175.74 1pjz s VAL 46 N 2.65 -0.32 0.12 2.92 0.11 -0.54 -1.29 120.40 124.06 1pjz s VAL 46 Ca 0.35 0.10 -0.06 0.00 -2.93 0.00 0.00 61.98 59.44 1pjz s VAL 46 Cb -0.16 -0.52 0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1pjz s VAL 46 CO 0.08 -0.04 0.30 0.61 -3.33 0.00 0.00 175.10 172.73 1pjz n GLY 47 N 5.33 1.47 3.14 6.54 0.00 0.64 -2.84 105.19 119.46 1pjz n GLY 47 Ca -0.05 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.37 0.78 -0.17 4.61 0.00 -0.16 -0.87 121.76 124.57 1pjz s ALA 48 Ca 0.06 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1pjz s ALA 48 Cb -0.02 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.44 1pjz s ALA 48 CO 0.03 -0.33 -0.13 -1.83 0.00 0.00 0.00 175.76 173.50 1pjz s GLU 49 N -3.90 2.28 -1.17 0.00 -1.05 -0.63 -0.40 118.70 113.82 1pjz s GLU 49 Ca 0.12 -0.69 -0.21 0.00 -0.15 0.00 0.00 54.97 54.03 1pjz s GLU 49 Cb 0.07 -2.27 -0.00 0.00 -0.44 0.00 0.00 34.13 31.49 1pjz s GLU 49 CO -0.06 -0.30 1.79 -0.51 0.95 0.00 0.00 175.26 177.13 1pjz s LEU 50 N 1.43 3.43 -0.18 1.83 2.01 -1.23 -0.27 118.68 125.70 1pjz s LEU 50 Ca 0.03 -1.82 -0.11 0.00 0.01 0.00 0.00 54.13 52.23 1pjz s LEU 50 Cb -0.14 -2.58 0.06 0.00 0.01 0.00 0.00 46.19 43.54 1pjz s LEU 50 CO -0.10 -2.09 0.44 -0.55 1.01 0.00 0.00 176.35 175.05 1pjz s SER 51 N 5.60 -0.53 -0.27 2.29 0.15 0.18 -4.97 113.70 116.15 1pjz s SER 51 Ca 0.60 0.93 -0.14 0.00 0.70 0.00 0.00 55.95 58.04 1pjz s SER 51 Cb 0.00 0.85 -0.13 0.00 -1.71 0.00 0.00 66.02 65.03 1pjz s SER 51 CO 0.06 -0.19 -0.26 -0.62 1.20 0.00 0.00 173.24 173.44 1pjz n GLU 52 N 3.87 0.59 -0.30 5.44 1.02 -1.26 -3.19 120.64 126.80 1pjz n GLU 52 Ca -0.20 0.30 -0.02 0.00 -0.02 0.00 0.00 57.16 57.22 1pjz n GLU 52 Cb 0.56 -1.53 0.14 0.00 -0.02 0.00 0.00 31.44 30.59 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 -0.87 1.27 -0.24 0.62 0.00 -1.98 -0.74 119.26 117.32 1pjz h ALA 53 Ca -0.65 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.08 1pjz h ALA 53 Cb 1.59 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1pjz h ALA 53 CO -0.38 0.62 -0.20 0.00 0.00 0.00 0.00 179.25 179.30 1pjz h ALA 54 N 1.37 1.21 0.29 0.00 0.00 -1.99 -0.41 119.26 119.74 1pjz h ALA 54 Ca 0.31 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pjz h ALA 54 Cb -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1pjz h ALA 54 CO -0.06 0.51 -0.14 0.28 0.00 0.00 0.00 179.25 179.84 1pjz h VAL 55 N 0.39 0.74 -0.69 0.00 2.07 -1.24 0.26 116.25 117.78 1pjz h VAL 55 Ca 0.07 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1pjz h VAL 55 Cb 0.57 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1pjz h VAL 55 CO 0.04 0.05 0.44 -0.33 0.02 0.00 0.00 177.57 177.79 1pjz h GLU 56 N -0.53 0.85 -0.90 1.57 5.08 -1.09 -1.25 114.58 118.31 1pjz h GLU 56 Ca -0.04 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1pjz h GLU 56 Cb 0.39 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1pjz h GLU 56 CO 0.07 0.57 0.49 -0.09 -1.00 0.00 0.00 179.01 179.04 1pjz h ARG 57 N 0.88 1.26 -0.59 2.33 9.65 -0.89 0.16 114.38 127.18 1pjz h ARG 57 Ca 0.26 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1pjz h ARG 57 Cb -0.04 -0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 28.27 1pjz h ARG 57 CO -0.08 0.92 0.32 -0.92 2.80 0.00 0.00 179.97 183.01 1pjz h TYR 58 N 1.26 0.82 0.00 2.20 5.03 0.33 0.19 116.97 126.80 1pjz h TYR 58 Ca 0.32 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.54 1pjz h TYR 58 Cb 0.03 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.04 1pjz h TYR 58 CO 0.01 0.59 -0.30 0.74 -1.32 0.00 0.00 178.16 177.89 1pjz h PHE 59 N 0.80 0.00 0.05 -3.82 0.04 -0.80 -0.66 116.94 112.55 1pjz h PHE 59 Ca 0.21 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.75 1pjz h PHE 59 Cb 0.05 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.22 1pjz h PHE 59 CO -0.01 0.30 -0.92 0.00 -0.60 0.00 0.00 178.31 177.07 1pjz h THR 60 N 0.00 1.36 -0.06 -1.55 1.03 0.01 0.43 112.91 114.13 1pjz h THR 60 Ca -0.00 -2.29 -0.06 0.00 -0.01 0.00 0.00 66.41 64.05 1pjz h THR 60 Cb 0.93 2.66 0.00 0.00 -1.07 0.00 0.00 68.15 70.66 1pjz h THR 60 CO 0.04 0.68 -0.19 -0.33 -0.01 0.00 0.00 175.52 175.71 1pjz h GLU 61 N 0.09 0.24 -0.10 0.00 4.39 -0.62 -3.25 114.58 115.33 1pjz h GLU 61 Ca -0.13 -0.18 -0.17 0.00 0.34 0.00 0.00 59.36 59.22 1pjz h GLU 61 Cb 1.63 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.30 1pjz h GLU 61 CO 0.18 0.80 -0.67 0.00 -1.16 0.00 0.00 179.01 178.15 1pjz h ARG 62 N -0.27 0.42 -1.69 2.33 -0.00 -1.23 -3.47 114.38 110.46 1pjz h ARG 62 Ca -0.01 -0.32 -0.17 0.00 -0.50 0.00 0.00 59.98 58.99 1pjz h ARG 62 Cb 0.82 0.06 0.01 0.00 0.00 0.00 0.00 29.97 30.86 1pjz h ARG 62 CO 0.04 0.95 -0.23 0.41 0.00 0.00 0.00 179.97 181.13 1pjz n GLY 63 N 0.46 0.11 0.00 0.04 0.00 0.15 -4.77 105.19 101.18 1pjz n GLY 63 Ca -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.95 0.00 0.00 1.61 1.02 -1.12 -5.03 120.64 115.17 1pjz n GLU 64 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1pjz n GLU 64 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 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 -0.51 0.00 -1.09 3.49 6.02 -1.26 -5.14 117.38 118.88 1pjz n GLN 65 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 1pjz n GLN 65 Cb 0.00 0.00 0.17 0.00 1.02 0.00 0.00 30.24 31.43 1pjz n GLN 65 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1pjz n PRO 66 N 0.00 -1.76 -3.12 -1.09 -0.04 -1.26 -4.99 135.00 122.74 1pjz n PRO 66 Ca 0.00 -1.41 -0.42 0.00 -0.04 0.00 0.00 63.50 61.63 1pjz n PRO 66 Cb 0.00 -1.11 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.81 3.12 -0.17 0.54 3.76 -0.30 -4.93 115.29 114.49 1pjz s HIS 67 Ca 0.54 0.20 -0.03 0.00 -0.15 0.00 0.00 55.06 55.62 1pjz s HIS 67 Cb -0.03 -3.21 -0.02 0.00 1.11 0.00 0.00 32.58 30.43 1pjz s HIS 67 CO 0.40 -0.71 -0.05 0.42 -0.85 0.00 0.00 174.74 173.94 1pjz s ILE 68 N 2.74 3.63 0.03 0.60 -1.09 -1.25 -1.29 121.20 124.56 1pjz s ILE 68 Ca 0.24 -0.44 0.02 0.00 -2.23 0.00 0.00 60.65 58.24 1pjz s ILE 68 Cb -0.14 -2.60 -0.02 0.00 -1.58 0.00 0.00 42.46 38.12 1pjz s ILE 68 CO 0.16 0.48 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.38 1pjz s THR 69 N 0.68 0.55 -0.29 2.92 2.01 -0.24 -4.96 115.64 116.30 1pjz s THR 69 Ca -0.03 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 1pjz s THR 69 Cb -0.15 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.83 1pjz s THR 69 CO 0.02 -0.16 0.05 -0.55 -0.69 0.00 0.00 174.62 173.29 1pjz s SER 70 N -1.01 4.98 -0.48 3.53 0.15 -1.26 0.11 113.70 119.72 1pjz s SER 70 Ca -0.04 -0.79 -0.05 0.00 0.70 0.00 0.00 55.95 55.76 1pjz s SER 70 Cb -0.07 -1.83 0.13 0.00 -1.71 0.00 0.00 66.02 62.53 1pjz s SER 70 CO 0.00 -0.19 0.31 0.00 1.20 0.00 0.00 173.24 174.56 1pjz s GLN 71 N 1.45 2.30 5.20 5.44 -2.07 0.38 -4.96 119.66 127.40 1pjz s GLN 71 Ca 0.02 -1.95 0.00 0.00 -1.82 0.00 0.00 55.36 51.60 1pjz s GLN 71 Cb -0.17 -3.74 0.00 0.00 -1.09 0.00 0.00 33.01 28.00 1pjz s GLN 71 CO 0.01 -1.14 0.00 0.41 -1.32 0.00 0.00 175.29 173.25 1pjz n GLY 72 N 4.48 1.22 0.78 2.60 0.00 -1.26 -0.96 105.19 112.05 1pjz n GLY 72 Ca -0.02 0.26 0.07 0.00 0.00 0.00 0.00 46.02 46.33 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 9.87 3.34 -4.31 1.61 9.92 -1.26 -5.00 116.55 130.71 1pjz n ASP 73 Ca 0.00 -3.17 -0.22 0.00 -0.53 0.00 0.00 54.79 50.87 1pjz n ASP 73 Cb 0.00 -0.54 -0.10 0.00 -0.64 0.00 0.00 41.12 39.84 1pjz n ASP 73 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1pjz s PHE 74 N -2.92 1.82 0.18 1.24 0.08 -0.13 -5.05 117.98 113.20 1pjz s PHE 74 Ca 0.41 -1.12 0.02 0.00 0.12 0.00 0.00 56.93 56.36 1pjz s PHE 74 Cb 0.34 -1.16 -0.05 0.00 -0.57 0.00 0.00 43.02 41.59 1pjz s PHE 74 CO 0.06 -0.17 0.00 0.21 -0.10 0.00 0.00 175.22 175.23 1pjz s LYS 75 N -3.86 1.13 -0.08 0.44 2.20 -1.26 -0.47 119.74 117.84 1pjz s LYS 75 Ca 0.33 -1.55 -0.03 0.00 -0.36 0.00 0.00 55.97 54.36 1pjz s LYS 75 Cb 0.06 -0.29 0.05 0.00 -1.51 0.00 0.00 37.83 36.14 1pjz s LYS 75 CO 0.15 -0.13 0.13 0.54 -0.36 0.00 0.00 175.35 175.67 1pjz s VAL 76 N -3.65 -0.20 -0.35 4.02 0.11 0.12 -1.20 120.40 119.24 1pjz s VAL 76 Ca 0.25 0.32 0.02 0.00 -2.93 0.00 0.00 61.98 59.63 1pjz s VAL 76 Cb 0.06 -0.29 0.10 0.00 -1.53 0.00 0.00 36.38 34.72 1pjz s VAL 76 CO 0.05 0.11 0.08 -0.47 -3.33 0.00 0.00 175.10 171.54 1pjz s TYR 77 N 2.24 3.70 -0.15 1.54 6.14 0.11 -1.08 117.35 129.84 1pjz s TYR 77 Ca 0.04 -2.81 -0.10 0.00 0.64 0.00 0.00 57.07 54.83 1pjz s TYR 77 Cb -0.13 -2.96 -0.05 0.00 0.42 0.00 0.00 41.96 39.25 1pjz s TYR 77 CO -0.05 -0.95 0.18 0.00 0.64 0.00 0.00 175.55 175.37 1pjz s ALA 78 N 0.97 3.73 0.11 3.97 0.00 -0.41 -0.73 121.76 129.41 1pjz s ALA 78 Ca 0.09 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1pjz s ALA 78 Cb -0.20 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1pjz s ALA 78 CO -0.07 0.32 0.23 0.00 0.00 0.00 0.00 175.76 176.24 1pjz s ALA 79 N -0.16 3.93 -0.59 0.00 0.00 -1.21 -1.15 121.76 122.57 1pjz s ALA 79 Ca 0.13 -0.98 -0.27 0.00 0.00 0.00 0.00 51.96 50.84 1pjz s ALA 79 Cb -0.12 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.26 1pjz s ALA 79 CO 0.02 0.65 1.52 -1.25 0.00 0.00 0.00 175.76 176.70 1pjz s PRO 80 N -2.92 3.12 0.00 0.00 0.04 -1.26 -3.35 135.00 130.63 1pjz s PRO 80 Ca 0.34 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1pjz s PRO 80 Cb -0.12 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1pjz s PRO 80 CO 0.28 -2.16 0.00 0.41 0.04 0.00 0.00 177.00 175.57 1pjz n GLY 81 N 5.39 3.42 3.73 0.56 0.00 -1.26 -5.11 105.19 111.92 1pjz n GLY 81 Ca 0.13 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 3.23 -0.80 -0.61 -1.16 -1.21 -5.01 121.20 115.63 1pjz s ILE 82 Ca 0.00 -1.70 -0.02 0.00 -0.51 0.00 0.00 60.65 58.42 1pjz s ILE 82 Cb 0.00 -2.99 0.37 0.00 0.61 0.00 0.00 42.46 40.45 1pjz s ILE 82 CO 0.00 -0.23 1.98 -0.62 -2.81 0.00 0.00 174.94 173.26 1pjz n GLU 83 N -1.11 2.78 -3.71 3.50 1.02 -0.41 -4.11 120.64 118.61 1pjz n GLU 83 Ca -0.04 -3.55 -0.37 0.00 -0.02 0.00 0.00 57.16 53.18 1pjz n GLU 83 Cb 0.60 -2.27 -0.12 0.00 -0.02 0.00 0.00 31.44 29.63 1pjz n GLU 83 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1pjz s ILE 84 N -5.07 4.48 -0.22 -3.67 -1.09 -1.25 -0.26 121.20 114.12 1pjz s ILE 84 Ca 0.53 -0.25 -0.04 0.00 -2.23 0.00 0.00 60.65 58.66 1pjz s ILE 84 Cb 0.45 -3.18 -0.01 0.00 -1.58 0.00 0.00 42.46 38.14 1pjz s ILE 84 CO -0.36 0.22 -0.05 -1.66 -1.23 0.00 0.00 174.94 171.87 1pjz s TRP 85 N 1.62 2.95 0.34 3.97 1.48 -0.05 -3.33 118.94 125.92 1pjz s TRP 85 Ca 0.06 -0.99 -0.18 0.00 -1.06 0.00 0.00 56.10 53.92 1pjz s TRP 85 Cb -0.16 -2.10 -0.09 0.00 -1.16 0.00 0.00 33.47 29.96 1pjz s TRP 85 CO 0.05 -0.57 0.81 0.00 -4.06 0.00 0.00 176.95 173.18 1pjz n GLY 87 N -0.22 1.27 3.31 0.00 0.00 0.62 0.04 105.19 110.23 1pjz n GLY 87 Ca 0.03 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 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 1.97 -0.03 1.61 -1.08 -0.35 -0.65 116.67 114.15 1pjz s ASP 88 Ca 0.00 -1.13 -0.01 0.00 -0.52 0.00 0.00 52.55 50.89 1pjz s ASP 88 Cb 0.00 -0.03 0.03 0.00 -1.46 0.00 0.00 42.92 41.46 1pjz s ASP 88 CO 0.00 -0.41 0.04 0.12 0.52 0.00 0.00 175.17 175.45 1pjz s PHE 89 N -3.31 0.03 0.00 -5.34 2.19 -1.26 -4.67 117.98 105.62 1pjz s PHE 89 Ca 0.24 0.19 0.00 0.00 0.33 0.00 0.00 56.93 57.69 1pjz s PHE 89 Cb 0.04 -0.31 0.00 0.00 -1.31 0.00 0.00 43.02 41.44 1pjz s PHE 89 CO 0.06 -0.13 0.00 1.19 1.83 0.00 0.00 175.22 178.18 1pjz n PHE 90 N 4.55 0.00 -2.22 10.12 3.72 -1.26 -5.00 117.46 127.37 1pjz n PHE 90 Ca -0.20 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.19 1pjz n PHE 90 Cb 0.50 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.06 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 0.14 -0.28 4.37 0.00 -1.26 -4.94 120.51 118.54 1pjz n ALA 91 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1pjz n ALA 91 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1pjz n ALA 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1pjz n LEU 92 N -0.36 0.59 -3.08 0.00 -0.00 -1.26 -5.07 117.00 107.82 1pjz n LEU 92 Ca -0.08 -0.63 -0.15 0.00 -0.00 0.00 0.00 56.01 55.14 1pjz n LEU 92 Cb 0.56 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.99 1pjz n LEU 92 CO -0.06 0.15 -0.23 0.41 -0.00 0.00 0.00 177.39 177.66 1pjz n THR 93 N -0.09 -7.79 0.08 1.47 -1.04 -1.26 -4.45 114.28 101.20 1pjz n THR 93 Ca 0.00 0.77 0.05 0.00 -2.04 0.00 0.00 64.05 62.83 1pjz n THR 93 Cb 0.07 -5.48 0.26 0.00 -1.82 0.00 0.00 70.33 63.36 1pjz n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pjz n ALA 94 N 0.16 1.04 0.05 2.41 0.00 -1.11 -1.01 120.51 122.04 1pjz n ALA 94 Ca 0.02 0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 1pjz n ALA 94 Cb 0.45 -1.14 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 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 0.31 0.00 0.00 2.43 0.26 0.48 114.38 117.86 1pjz h ARG 95 Ca 0.00 -0.54 -0.09 0.00 -0.81 0.00 0.00 59.98 58.54 1pjz h ARG 95 Cb 0.01 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1pjz h ARG 95 CO 0.00 1.26 -0.44 -0.44 -1.51 0.00 0.00 179.97 178.84 1pjz h ASP 96 N -0.24 0.00 0.45 -3.80 5.19 -1.33 0.32 116.42 117.00 1pjz h ASP 96 Ca -0.24 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 55.89 1pjz h ASP 96 Cb 1.79 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 41.26 1pjz h ASP 96 CO 0.13 0.44 -1.76 2.30 -3.12 0.00 0.00 179.24 177.23 1pjz n ILE 97 N -3.54 1.47 0.00 0.35 -6.64 -0.31 -4.59 119.36 106.11 1pjz n ILE 97 Ca -0.00 -0.78 0.00 0.00 -1.77 0.00 0.00 62.75 60.20 1pjz n ILE 97 Cb 0.55 -0.88 0.00 0.00 -1.44 0.00 0.00 39.64 37.87 1pjz n ILE 97 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1pjz n GLY 98 N 1.55 -0.39 5.09 3.28 0.00 0.17 -4.56 105.19 110.33 1pjz n GLY 98 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1pjz n GLY 98 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1pjz n HIS 99 N -1.95 0.00 -3.83 1.61 1.44 0.11 -4.19 115.22 108.42 1pjz n HIS 99 Ca 0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.58 1pjz n HIS 99 Cb 0.00 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 29.97 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 3.39 0.00 -3.55 0.00 0.00 -0.26 -1.85 120.51 118.24 1pjz n ALA 101 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.34 1pjz n ALA 101 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.69 -1.78 -3.52 0.00 0.00 -0.74 -0.44 120.51 113.34 1pjz n ALA 102 Ca 0.00 -0.55 -0.16 0.00 0.00 0.00 0.00 53.44 52.73 1pjz n ALA 102 Cb 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 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 -3.24 -0.65 -0.19 0.00 -0.71 -0.28 -1.19 117.98 111.72 1pjz s PHE 103 Ca 0.15 1.28 -0.00 0.00 -1.04 0.00 0.00 56.93 57.31 1pjz s PHE 103 Cb -0.01 0.34 0.01 0.00 -1.21 0.00 0.00 43.02 42.15 1pjz s PHE 103 CO 0.02 -0.52 -0.16 -0.47 -1.34 0.00 0.00 175.22 172.75 1pjz s TYR 104 N -0.74 2.82 -0.11 3.49 5.04 -0.32 -0.62 117.35 126.91 1pjz s TYR 104 Ca -0.08 -1.42 -0.03 0.00 -2.44 0.00 0.00 57.07 53.10 1pjz s TYR 104 Cb -0.02 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.30 1pjz s TYR 104 CO 0.07 -0.72 0.01 0.34 -1.34 0.00 0.00 175.55 173.92 1pjz s ASP 105 N 1.30 5.31 0.44 4.32 -1.08 -0.47 -3.78 116.67 122.71 1pjz s ASP 105 Ca 0.04 0.13 0.07 0.00 -0.52 0.00 0.00 52.55 52.27 1pjz s ASP 105 Cb -0.14 -1.60 -0.03 0.00 -1.46 0.00 0.00 42.92 39.69 1pjz s ASP 105 CO -0.09 0.33 0.24 0.00 0.52 0.00 0.00 175.17 176.17 1pjz s ARG 106 N -0.61 2.28 -0.32 4.34 1.70 -1.26 -0.66 118.95 124.42 1pjz s ARG 106 Ca 0.10 -1.86 -0.36 0.00 -0.47 0.00 0.00 55.73 53.14 1pjz s ARG 106 Cb -0.12 -2.04 -0.12 0.00 -0.57 0.00 0.00 34.95 32.11 1pjz s ARG 106 CO 0.02 -0.23 2.10 0.00 -1.08 0.00 0.00 175.30 176.11 1pjz n ALA 107 N -1.38 0.89 0.22 7.88 0.00 -0.94 -4.43 120.51 122.75 1pjz n ALA 107 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1pjz n ALA 107 Cb 0.64 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 8.95 0.54 0.52 0.00 0.00 -1.26 -4.88 120.51 124.38 1pjz n ALA 108 Ca 0.38 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.89 1pjz n ALA 108 Cb 0.22 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.99 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 -3.46 0.03 0.05 0.00 0.00 -1.26 -1.40 117.12 111.08 1pjz n MET 109 Ca 0.00 0.24 0.13 0.00 0.00 0.00 0.00 57.70 58.07 1pjz n MET 109 Cb 0.00 -1.50 0.37 0.00 0.00 0.00 0.00 33.22 32.09 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 -1.47 0.29 1.00 3.17 -0.00 -1.26 -3.04 119.36 118.04 1pjz n ILE 110 Ca 0.04 -0.17 0.10 0.00 -0.00 0.00 0.00 62.75 62.72 1pjz n ILE 110 Cb 0.16 -0.30 -0.10 0.00 -0.00 0.00 0.00 39.64 39.40 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 -1.68 4.62 -2.36 -1.28 0.00 -0.49 0.47 120.51 119.79 1pjz n ALA 111 Ca 0.05 -0.60 -0.19 0.00 0.00 0.00 0.00 53.44 52.70 1pjz n ALA 111 Cb 0.40 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.94 3.84 0.92 0.00 1.02 -1.17 -4.92 118.68 115.43 1pjz s LEU 112 Ca 0.09 -0.13 -0.13 0.00 0.02 0.00 0.00 54.13 53.99 1pjz s LEU 112 Cb 0.16 -2.82 0.15 0.00 0.02 0.00 0.00 46.19 43.70 1pjz s LEU 112 CO 0.83 -0.56 1.14 -2.16 0.02 0.00 0.00 176.35 175.63 1pjz s PRO 113 N -4.30 1.02 0.04 1.29 0.04 -1.26 -4.73 135.00 127.11 1pjz s PRO 113 Ca 0.48 0.24 -0.21 0.00 0.04 0.00 0.00 61.00 61.55 1pjz s PRO 113 Cb -0.10 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 1pjz s PRO 113 CO 0.33 -2.27 1.32 0.00 0.04 0.00 0.00 177.00 176.42 1pjz h ALA 114 N -1.55 -1.07 -0.99 8.56 0.00 -1.97 0.96 119.26 123.19 1pjz h ALA 114 Ca -0.50 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.41 1pjz h ALA 114 Cb 1.33 0.44 -0.15 0.00 0.00 0.00 0.00 17.79 19.41 1pjz h ALA 114 CO 0.60 -1.06 -0.44 -0.25 0.00 0.00 0.00 179.25 178.09 1pjz n ASP 115 N -4.12 -0.76 -0.16 0.00 8.00 -1.26 0.75 116.55 118.99 1pjz n ASP 115 Ca -0.08 1.74 -0.07 0.00 0.71 0.00 0.00 54.79 57.10 1pjz n ASP 115 Cb 0.28 -0.35 0.02 0.00 -0.02 0.00 0.00 41.12 41.06 1pjz n ASP 115 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1pjz h MET 116 N 0.00 0.62 -0.96 -1.24 4.05 -1.88 -1.23 114.93 114.30 1pjz h MET 116 Ca 0.29 -0.04 0.12 0.00 -0.28 0.00 0.00 59.70 59.80 1pjz h MET 116 Cb 0.54 -0.14 -0.08 0.00 -0.80 0.00 0.00 31.60 31.12 1pjz h MET 116 CO -0.97 0.41 0.61 -0.09 0.23 0.00 0.00 176.91 177.10 1pjz h ARG 117 N 0.64 0.87 0.06 0.39 1.12 0.71 0.50 114.38 118.68 1pjz h ARG 117 Ca 0.19 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 59.00 1pjz h ARG 117 Cb -0.05 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 29.72 1pjz h ARG 117 CO -0.05 0.58 -0.03 0.93 -3.11 0.00 0.00 179.97 178.28 1pjz h GLU 118 N 0.90 -0.08 0.00 0.20 5.08 0.64 -0.51 114.58 120.81 1pjz h GLU 118 Ca 0.47 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.83 1pjz h GLU 118 Cb 0.53 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1pjz h GLU 118 CO -0.23 0.27 -0.01 0.07 -1.00 0.00 0.00 179.01 178.10 1pjz h ARG 119 N -0.44 0.00 0.05 2.33 -0.00 -0.40 -0.97 114.38 114.94 1pjz h ARG 119 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1pjz h ARG 119 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.36 1pjz h ARG 119 CO 0.01 0.01 -0.02 -0.92 -0.00 0.00 0.00 179.97 179.05 1pjz h TYR 120 N 0.00 -0.06 -0.86 4.08 5.03 0.31 -0.59 116.97 124.87 1pjz h TYR 120 Ca -0.00 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.37 1pjz h TYR 120 Cb 0.22 0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.46 1pjz h TYR 120 CO 0.00 0.34 0.54 -0.39 -1.32 0.00 0.00 178.16 177.33 1pjz h VAL 121 N -0.98 1.06 -0.18 1.81 -1.51 -0.91 0.31 116.25 115.85 1pjz h VAL 121 Ca -0.01 -0.34 -0.04 0.00 -1.23 0.00 0.00 66.70 65.08 1pjz h VAL 121 Cb 0.44 -0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 29.57 1pjz h VAL 121 CO 0.01 0.18 -0.04 0.06 -1.23 0.00 0.00 177.57 176.55 1pjz h GLN 122 N 0.99 0.35 -0.97 5.19 3.07 -1.29 0.41 115.11 122.85 1pjz h GLN 122 Ca 0.37 -0.13 0.05 0.00 0.09 0.00 0.00 58.65 59.02 1pjz h GLN 122 Cb 0.14 -0.02 -0.06 0.00 0.08 0.00 0.00 27.48 27.62 1pjz h GLN 122 CO -0.16 0.61 0.63 0.45 0.09 0.00 0.00 178.83 180.44 1pjz h HIS 123 N 0.06 1.18 0.39 0.06 3.86 -0.39 0.45 115.15 120.76 1pjz h HIS 123 Ca 0.05 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1pjz h HIS 123 Cb 0.48 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1pjz h HIS 123 CO 0.05 0.66 -0.19 1.25 0.86 0.00 0.00 177.93 180.56 1pjz h LEU 124 N 1.20 -0.45 -1.75 2.43 7.12 -0.24 -1.37 115.31 122.25 1pjz h LEU 124 Ca 0.40 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.42 1pjz h LEU 124 Cb 0.06 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.30 1pjz h LEU 124 CO -0.14 -0.24 0.31 1.05 -0.13 0.00 0.00 178.44 179.29 1pjz h GLU 125 N -0.69 0.00 0.19 1.25 -0.00 -0.77 0.93 114.58 115.48 1pjz h GLU 125 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.30 1pjz h GLU 125 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.16 1pjz h GLU 125 CO 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 179.01 179.01 1pjz h ALA 126 N 1.34 -0.35 -0.14 1.06 0.00 0.20 -3.25 119.26 118.11 1pjz h ALA 126 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pjz h ALA 126 Cb 0.62 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1pjz h ALA 126 CO 0.00 -0.33 0.00 1.47 0.00 0.00 0.00 179.25 180.39 1pjz n LEU 127 N -4.05 1.43 -4.93 0.00 -0.00 -0.54 -4.87 117.00 104.04 1pjz n LEU 127 Ca -0.03 -0.72 -0.29 0.00 -0.00 0.00 0.00 56.01 54.96 1pjz n LEU 127 Cb 0.10 -0.32 0.17 0.00 -0.00 0.00 0.00 43.42 43.37 1pjz n LEU 127 CO 0.08 0.27 0.84 -0.04 -0.00 0.00 0.00 177.39 178.54 1pjz s MET 128 N -1.59 0.88 0.00 1.47 -1.94 0.31 0.22 119.30 118.65 1pjz s MET 128 Ca 0.11 -0.40 0.00 0.00 -1.71 0.00 0.00 55.69 53.69 1pjz s MET 128 Cb 0.07 -1.89 0.00 0.00 2.01 0.00 0.00 34.83 35.02 1pjz s MET 128 CO 0.05 -2.24 0.00 -0.35 -0.01 0.00 0.00 175.02 172.47 1pjz n PRO 129 N -3.64 0.52 -0.05 2.03 -0.04 -1.25 -4.00 135.00 128.57 1pjz n PRO 129 Ca 0.14 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.54 1pjz n PRO 129 Cb 0.60 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.01 1pjz n PRO 129 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pjz n GLN 130 N -0.40 0.73 -3.46 0.54 10.64 -0.46 -4.86 117.38 120.11 1pjz n GLN 130 Ca 0.00 0.05 -0.29 0.00 -1.83 0.00 0.00 57.00 54.93 1pjz n GLN 130 Cb 0.00 -1.20 -0.12 0.00 -0.86 0.00 0.00 30.24 28.06 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pjz s ALA 131 N -2.20 0.91 -0.00 2.61 0.00 -0.66 -3.79 121.76 118.63 1pjz s ALA 131 Ca -0.12 -1.85 -0.10 0.00 0.00 0.00 0.00 51.96 49.90 1pjz s ALA 131 Cb 0.03 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.56 1pjz s ALA 131 CO 0.25 -2.11 0.19 0.00 0.00 0.00 0.00 175.76 174.10 1pjz s SER 133 N -1.34 6.21 0.18 0.00 1.04 0.41 0.42 113.70 120.63 1pjz s SER 133 Ca -0.14 -0.81 -0.11 0.00 0.48 0.00 0.00 55.95 55.37 1pjz s SER 133 Cb -0.07 -2.25 -0.07 0.00 0.10 0.00 0.00 66.02 63.74 1pjz s SER 133 CO 0.02 -0.71 0.53 -0.83 0.98 0.00 0.00 173.24 173.23 1pjz s GLY 134 N 2.22 2.35 -0.23 7.32 0.00 0.19 -1.13 107.32 118.03 1pjz s GLY 134 Ca 0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 44.72 44.56 1pjz s GLY 134 CO 0.13 -0.06 0.11 -2.27 0.00 0.00 0.00 173.10 171.01 1pjz s LEU 135 N -2.42 0.52 0.09 0.66 0.20 0.20 0.04 118.68 117.97 1pjz s LEU 135 Ca 0.42 -0.97 -0.23 0.00 0.69 0.00 0.00 54.13 54.04 1pjz s LEU 135 Cb -0.13 -0.32 -0.07 0.00 -0.43 0.00 0.00 46.19 45.24 1pjz s LEU 135 CO 0.20 -0.39 0.69 -0.22 -0.29 0.00 0.00 176.35 176.34 1pjz s LEU 136 N 2.10 4.52 -0.45 -0.68 0.20 0.55 -1.36 118.68 123.55 1pjz s LEU 136 Ca 0.05 1.42 0.03 0.00 0.69 0.00 0.00 54.13 56.32 1pjz s LEU 136 Cb -0.16 -3.11 0.12 0.00 -0.43 0.00 0.00 46.19 42.61 1pjz s LEU 136 CO -0.23 0.17 0.20 -0.63 -0.29 0.00 0.00 176.35 175.57 1pjz s ILE 137 N -0.73 2.06 0.44 6.68 -1.09 0.16 -0.42 121.20 128.30 1pjz s ILE 137 Ca 0.34 -2.79 0.05 0.00 -2.23 0.00 0.00 60.65 56.02 1pjz s ILE 137 Cb -0.21 -2.46 0.01 0.00 -1.58 0.00 0.00 42.46 38.22 1pjz s ILE 137 CO 0.22 -0.78 0.61 0.42 -1.23 0.00 0.00 174.94 174.18 1pjz s THR 138 N 0.25 3.25 0.17 2.92 -4.23 0.15 -2.22 115.64 115.92 1pjz s THR 138 Ca 0.16 -0.85 -0.11 0.00 -1.18 0.00 0.00 61.69 59.70 1pjz s THR 138 Cb -0.24 -3.14 -0.00 0.00 1.34 0.00 0.00 72.50 70.46 1pjz s THR 138 CO -0.03 -0.07 0.33 -0.76 -0.54 0.00 0.00 174.62 173.55 1pjz s LEU 139 N -4.44 0.78 0.21 4.79 1.02 -1.26 0.54 118.68 120.31 1pjz s LEU 139 Ca 0.53 -0.79 0.00 0.00 0.02 0.00 0.00 54.13 53.89 1pjz s LEU 139 Cb -0.10 1.39 0.00 0.00 0.02 0.00 0.00 46.19 47.50 1pjz s LEU 139 CO 0.35 -0.93 0.00 -1.84 0.02 0.00 0.00 176.35 173.95 1pjz n GLU 140 N -0.24 0.00 0.00 1.70 0.28 -0.42 -2.91 120.64 119.04 1pjz n GLU 140 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1pjz n GLU 140 Cb 0.63 -0.22 0.00 0.00 1.43 0.00 0.00 31.44 33.28 1pjz n GLU 140 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1pjz n TYR 141 N -3.49 0.00 -0.93 -1.84 4.19 -1.25 -4.54 117.16 109.30 1pjz n TYR 141 Ca 0.00 0.00 -0.30 0.00 3.31 0.00 0.00 57.90 60.91 1pjz n TYR 141 Cb 0.00 -0.28 0.02 0.00 0.49 0.00 0.00 39.34 39.57 1pjz n TYR 141 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 1pjz n ASP 142 N -2.14 -3.49 0.00 2.98 5.75 -1.26 -4.63 116.55 113.76 1pjz n ASP 142 Ca 0.00 0.41 0.00 0.00 -0.01 0.00 0.00 54.79 55.19 1pjz n ASP 142 Cb 0.00 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.44 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 1.44 0.00 -2.44 0.11 -0.00 -1.26 -4.09 117.38 111.14 1pjz n GLN 143 Ca 0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 56.89 1pjz n GLN 143 Cb 0.40 0.00 0.03 0.00 -0.00 0.00 0.00 30.24 30.66 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 4.01 0.00 2.61 0.00 -1.26 -4.50 120.51 121.37 1pjz n ALA 144 Ca 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 50.00 1pjz n ALA 144 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.56 0.00 -4.86 0.00 -0.00 -1.26 -5.14 117.00 105.17 1pjz n LEU 145 Ca 0.27 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.96 1pjz n LEU 145 Cb 0.85 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 44.22 1pjz n LEU 145 CO 0.26 0.00 0.40 -0.22 -0.00 0.00 0.00 177.39 177.83 1pjz s LEU 146 N 0.00 3.99 -0.32 1.47 0.20 -1.26 -4.77 118.68 117.98 1pjz s LEU 146 Ca 0.00 1.17 -0.28 0.00 0.69 0.00 0.00 54.13 55.71 1pjz s LEU 146 Cb 0.00 -4.00 -0.03 0.00 -0.43 0.00 0.00 46.19 41.74 1pjz s LEU 146 CO 0.00 -0.26 1.92 -1.83 -0.29 0.00 0.00 176.35 175.88 1pjz s GLU 147 N -3.30 3.23 0.00 1.98 -1.05 -1.26 -4.45 118.70 113.85 1pjz s GLU 147 Ca 0.52 1.54 0.00 0.00 -0.15 0.00 0.00 54.97 56.88 1pjz s GLU 147 Cb -0.10 -4.26 0.00 0.00 -0.44 0.00 0.00 34.13 29.33 1pjz s GLU 147 CO 0.23 -1.99 0.00 0.41 0.95 0.00 0.00 175.26 174.87 1pjz n GLY 148 N 5.53 -3.27 3.61 -3.83 0.00 -1.26 -4.91 105.19 101.05 1pjz n GLY 148 Ca 0.25 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.03 3.63 0.26 1.61 0.04 -1.26 -4.67 135.00 131.57 1pjz s PRO 149 Ca 0.00 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 1pjz s PRO 149 Cb 0.00 -4.00 -0.09 0.00 0.04 0.00 0.00 34.50 30.45 1pjz s PRO 149 CO 0.00 -1.49 1.09 -1.25 0.04 0.00 0.00 177.00 175.38 1pjz s PRO 150 N 4.81 4.65 0.00 0.56 0.04 -1.26 -4.61 135.00 139.20 1pjz s PRO 150 Ca 0.61 1.76 0.21 0.00 0.04 0.00 0.00 61.00 63.62 1pjz s PRO 150 Cb -0.14 -3.21 0.53 0.00 0.04 0.00 0.00 34.50 31.71 1pjz s PRO 150 CO 0.31 0.21 1.45 0.34 0.04 0.00 0.00 177.00 179.36 1pjz n PHE 151 N 1.44 0.62 -1.71 0.56 -0.00 0.18 -4.73 117.46 113.82 1pjz n PHE 151 Ca -0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 57.45 57.13 1pjz n PHE 151 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.93 1pjz n PHE 151 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1pjz n SER 152 N 1.31 -8.76 -4.03 -2.13 3.41 -1.15 -4.96 113.62 97.31 1pjz n SER 152 Ca 0.20 1.28 -0.30 0.00 -0.26 0.00 0.00 58.87 59.79 1pjz n SER 152 Cb 0.55 -5.12 -0.16 0.00 -0.26 0.00 0.00 64.21 59.21 1pjz n SER 152 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pjz s VAL 153 N -3.44 1.59 -0.12 -3.33 1.01 -1.26 -4.99 120.40 109.85 1pjz s VAL 153 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1pjz s VAL 153 Cb 0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1pjz s VAL 153 CO 0.00 0.46 1.26 -2.16 0.00 0.00 0.00 175.10 174.66 1pjz s PRO 154 N 1.36 4.27 0.30 2.72 0.04 -1.26 -4.90 135.00 137.53 1pjz s PRO 154 Ca 0.02 1.69 -0.00 0.00 0.04 0.00 0.00 61.00 62.75 1pjz s PRO 154 Cb -0.13 -3.70 0.70 0.00 0.04 0.00 0.00 34.50 31.40 1pjz s PRO 154 CO -0.09 -0.63 1.55 0.94 0.04 0.00 0.00 177.00 178.81 1pjz n GLN 155 N 6.15 -0.08 -0.32 4.56 0.00 -1.26 0.18 117.38 126.61 1pjz n GLN 155 Ca 0.13 1.49 0.20 0.00 -0.00 0.00 0.00 57.00 58.82 1pjz n GLN 155 Cb 0.45 -2.34 0.41 0.00 0.00 0.00 0.00 30.24 28.76 1pjz n GLN 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pjz h THR 156 N 0.00 0.29 -0.14 1.69 1.03 -1.97 0.92 112.91 114.73 1pjz h THR 156 Ca 0.57 -0.09 -0.01 0.00 -0.01 0.00 0.00 66.41 66.87 1pjz h THR 156 Cb 1.13 -0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 68.21 1pjz h THR 156 CO -0.95 0.05 0.05 -0.25 -0.01 0.00 0.00 175.52 174.41 1pjz h TRP 157 N 0.27 0.22 -0.72 0.00 7.01 0.16 0.64 115.95 123.54 1pjz h TRP 157 Ca 0.67 -0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.74 1pjz h TRP 157 Cb 1.48 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 28.42 1pjz h TRP 157 CO -0.11 0.33 0.47 -0.07 -2.79 0.00 0.00 178.44 176.26 1pjz h LEU 158 N 0.06 0.55 0.00 0.65 4.07 0.92 0.62 115.31 122.18 1pjz h LEU 158 Ca 0.05 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1pjz h LEU 158 Cb 0.20 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.84 1pjz h LEU 158 CO -0.00 0.33 -0.19 0.45 -1.08 0.00 0.00 178.44 177.95 1pjz h HIS 159 N 0.62 0.00 0.21 1.13 3.86 0.43 0.82 115.15 122.21 1pjz h HIS 159 Ca 0.33 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.20 1pjz h HIS 159 Cb 0.46 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.95 1pjz h HIS 159 CO -0.00 0.00 -1.55 0.07 0.86 0.00 0.00 177.93 177.31 1pjz h ARG 160 N 0.00 0.45 0.00 2.45 0.11 0.53 -3.34 114.38 114.58 1pjz h ARG 160 Ca 0.00 -0.76 -0.01 0.00 0.10 0.00 0.00 59.98 59.31 1pjz h ARG 160 Cb 0.88 0.28 -0.00 0.00 1.11 0.00 0.00 29.97 32.24 1pjz h ARG 160 CO 0.00 1.35 -0.34 1.55 0.10 0.00 0.00 179.97 182.64 1pjz n VAL 161 N -3.64 1.27 0.00 0.08 3.14 0.14 -4.57 118.33 114.76 1pjz n VAL 161 Ca -0.18 0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1pjz n VAL 161 Cb 1.08 -1.79 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 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 -3.75 0.00 -3.24 1.45 2.81 0.26 -4.35 117.12 110.30 1pjz n MET 162 Ca -0.05 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.41 1pjz n MET 162 Cb 0.17 -1.20 -0.08 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 -1.80 6.22 0.00 7.83 0.15 -0.01 -4.31 113.70 121.78 1pjz s SER 163 Ca 0.00 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 55.91 1pjz s SER 163 Cb 0.00 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 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 5.12 -0.00 0.00 9.45 0.00 -1.26 -4.94 105.19 113.56 1pjz n GLY 164 Ca -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.84 1.61 3.02 -1.26 -5.12 115.26 109.67 1pjz n ASN 165 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 1pjz n ASN 165 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.05 -0.97 3.10 -2.14 -1.26 -1.11 118.94 116.50 1pjz s TRP 166 Ca 0.00 0.07 -0.14 0.00 2.66 0.00 0.00 56.10 58.69 1pjz s TRP 166 Cb 0.00 0.00 0.21 0.00 -3.10 0.00 0.00 33.47 30.58 1pjz s TRP 166 CO 0.00 -0.27 1.03 -1.21 -2.66 0.00 0.00 176.95 173.84 1pjz s GLU 167 N -1.10 3.82 0.06 3.25 2.02 -0.14 -4.69 118.70 121.91 1pjz s GLU 167 Ca -0.12 -2.50 -0.31 0.00 0.02 0.00 0.00 54.97 52.07 1pjz s GLU 167 Cb -0.06 -4.67 -0.07 0.00 0.10 0.00 0.00 34.13 29.44 1pjz s GLU 167 CO 0.02 -1.46 1.36 0.14 0.02 0.00 0.00 175.26 175.34 1pjz s VAL 168 N 0.62 3.59 -0.05 2.63 -7.23 -1.24 -1.10 120.40 117.62 1pjz s VAL 168 Ca 0.28 1.09 0.05 0.00 -1.81 0.00 0.00 61.98 61.59 1pjz s VAL 168 Cb -0.08 -3.70 -0.00 0.00 0.56 0.00 0.00 36.38 33.16 1pjz s VAL 168 CO -0.08 0.05 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.68 1pjz s THR 169 N 1.63 1.61 0.13 5.32 2.01 0.18 -4.90 115.64 121.62 1pjz s THR 169 Ca 0.63 -0.82 -0.31 0.00 0.31 0.00 0.00 61.69 61.50 1pjz s THR 169 Cb -0.33 -1.38 -0.09 0.00 0.01 0.00 0.00 72.50 70.71 1pjz s THR 169 CO 0.29 0.46 1.47 -1.59 -0.69 0.00 0.00 174.62 174.55 1pjz s LYS 170 N -0.00 4.27 0.24 4.92 0.00 -1.26 -0.56 119.74 127.35 1pjz s LYS 170 Ca -0.04 2.19 -0.21 0.00 0.00 0.00 0.00 55.97 57.91 1pjz s LYS 170 Cb -0.12 -3.23 0.03 0.00 0.00 0.00 0.00 37.83 34.51 1pjz s LYS 170 CO 0.03 -0.52 0.66 0.54 0.00 0.00 0.00 175.35 176.05 1pjz s VAL 171 N 1.21 0.00 0.00 1.79 0.11 0.14 -4.87 120.40 118.78 1pjz s VAL 171 Ca 0.67 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 1pjz s VAL 171 Cb -0.39 -1.71 0.00 0.00 -1.53 0.00 0.00 36.38 32.75 1pjz s VAL 171 CO 0.31 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 1pjz n GLY 172 N -0.42 -0.35 0.00 6.54 0.00 -1.26 -0.06 105.19 109.64 1pjz n GLY 172 Ca -0.08 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.43 3.38 -0.02 0.00 -0.27 -4.80 105.19 103.04 1pjz n GLY 173 Ca 0.00 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 1.57 0.00 1.61 -2.07 -1.26 0.35 119.66 119.86 1pjz s GLN 174 Ca 0.00 -1.88 0.00 0.00 -1.82 0.00 0.00 55.36 51.66 1pjz s GLN 174 Cb 0.00 -0.44 0.00 0.00 -1.09 0.00 0.00 33.01 31.48 1pjz s GLN 174 CO 0.00 -0.32 0.00 -0.25 -1.32 0.00 0.00 175.29 173.40 1pjz n ASP 175 N -0.71 -5.04 -3.72 12.60 9.92 -1.25 -4.88 116.55 123.47 1pjz n ASP 175 Ca -0.01 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.94 1pjz n ASP 175 Cb 0.66 -2.67 -0.08 0.00 -0.64 0.00 0.00 41.12 38.39 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 -2.26 2.64 -0.09 -3.53 5.66 -1.26 -4.82 114.28 110.62 1pjz n THR 176 Ca 0.00 -5.21 -0.22 0.00 -3.05 0.00 0.00 64.05 55.57 1pjz n THR 176 Cb 0.36 -2.16 -0.12 0.00 -1.55 0.00 0.00 70.33 66.85 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 1.40 1.99 -0.51 1.09 0.00 -1.26 -3.99 117.00 115.71 1pjz n LEU 177 Ca 0.26 0.38 0.43 0.00 0.00 0.00 0.00 56.01 57.08 1pjz n LEU 177 Cb 0.38 -0.98 0.67 0.00 0.00 0.00 0.00 43.42 43.49 1pjz n LEU 177 CO 0.40 0.39 1.40 -0.74 0.00 0.00 0.00 177.39 178.84 1pjz h HIS 178 N -0.83 0.00 0.15 1.96 2.76 -1.96 1.44 115.15 118.67 1pjz h HIS 178 Ca -0.38 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.78 1pjz h HIS 178 Cb 1.44 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.40 1pjz h HIS 178 CO 0.08 0.00 -0.07 0.77 -1.30 0.00 0.00 177.93 177.41 1pjz h SER 179 N 0.00 -0.18 -2.88 3.26 0.02 -1.86 -3.39 113.55 108.52 1pjz h SER 179 Ca 0.76 -0.03 -0.50 0.00 -0.84 0.00 0.00 61.79 61.18 1pjz h SER 179 Cb 3.45 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 66.03 1pjz h SER 179 CO -0.01 -0.08 -0.23 -0.94 -1.14 0.00 0.00 176.83 174.43 1pjz s SER 180 N -5.05 6.36 -0.09 3.07 1.04 0.49 0.19 113.70 119.72 1pjz s SER 180 Ca -0.14 0.48 0.05 0.00 0.48 0.00 0.00 55.95 56.82 1pjz s SER 180 Cb 0.05 -2.04 -0.24 0.00 0.10 0.00 0.00 66.02 63.88 1pjz s SER 180 CO 0.65 -0.19 0.49 0.00 0.98 0.00 0.00 173.24 175.17 1pjz n ALA 181 N -1.22 1.26 -0.45 5.32 0.00 -1.26 -4.03 120.51 120.13 1pjz n ALA 181 Ca -0.04 -0.74 0.37 0.00 0.00 0.00 0.00 53.44 53.03 1pjz n ALA 181 Cb 0.55 -0.73 0.68 0.00 0.00 0.00 0.00 19.45 19.95 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 0.03 0.10 -0.64 0.00 3.08 -1.95 1.51 114.38 116.51 1pjz h ARG 182 Ca -0.36 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.61 1pjz h ARG 182 Cb 2.03 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 32.03 1pjz h ARG 182 CO 0.07 0.07 0.11 0.78 -1.07 0.00 0.00 179.97 179.93 1pjz h GLY 183 N 0.11 1.14 2.00 0.04 0.00 -1.85 -0.79 103.07 103.70 1pjz h GLY 183 Ca 0.76 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1pjz h GLY 183 CO -0.25 0.69 -0.09 1.41 0.00 0.00 0.00 176.54 178.29 1pjz h LEU 184 N 0.99 0.00 -0.07 3.11 -0.00 0.18 1.81 115.31 121.33 1pjz h LEU 184 Ca 0.20 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.01 1pjz h LEU 184 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1pjz h LEU 184 CO 0.01 0.09 -0.22 0.50 -0.00 0.00 0.00 178.44 178.82 1pjz h LYS 185 N 0.00 0.27 0.12 1.13 3.64 -0.11 -3.34 116.57 118.28 1pjz h LYS 185 Ca -0.00 -0.20 -0.37 0.00 -1.27 0.00 0.00 60.65 58.81 1pjz h LYS 185 Cb 0.98 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1pjz h LYS 185 CO 0.01 0.82 -2.01 0.00 -2.27 0.00 0.00 179.45 176.00 1pjz n ALA 186 N -2.47 0.90 -0.61 5.00 0.00 -0.37 -5.05 120.51 117.91 1pjz n ALA 186 Ca -0.08 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1pjz n ALA 186 Cb 0.44 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1pjz n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pjz n GLY 187 N 2.00 0.16 0.00 0.00 0.00 0.61 -4.92 105.19 103.05 1pjz n GLY 187 Ca -0.32 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.22 0.10 -2.30 0.99 4.32 -0.76 -4.97 117.00 114.16 1pjz n LEU 188 Ca 0.00 -0.14 -0.07 0.00 -0.02 0.00 0.00 56.01 55.77 1pjz n LEU 188 Cb 0.02 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.80 1pjz n LEU 188 CO 0.00 0.03 -0.03 -1.84 -1.22 0.00 0.00 177.39 174.33 1pjz n GLU 189 N -1.61 -1.97 0.00 3.23 0.28 -1.26 -4.37 120.64 114.95 1pjz n GLU 189 Ca -0.01 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1pjz n GLU 189 Cb 0.18 -3.11 0.00 0.00 1.43 0.00 0.00 31.44 29.95 1pjz n GLU 189 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1pjz n ARG 190 N -2.02 0.00 -3.89 3.44 5.12 -1.26 -5.01 116.66 113.05 1pjz n ARG 190 Ca 0.02 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.81 1pjz n ARG 190 Cb 0.33 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.49 1pjz n ARG 190 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pjz s MET 191 N 0.00 0.05 -0.23 5.56 0.23 -1.26 -4.92 119.30 118.73 1pjz s MET 191 Ca 0.00 0.02 -0.29 0.00 -1.03 0.00 0.00 55.69 54.39 1pjz s MET 191 Cb 0.00 -0.11 -0.03 0.00 -1.53 0.00 0.00 34.83 33.16 1pjz s MET 191 CO 0.00 -0.02 1.75 -0.51 -2.03 0.00 0.00 175.02 174.21 1pjz s ASP 192 N 0.23 6.16 -0.20 -1.18 1.11 -1.26 -3.78 116.67 117.75 1pjz s ASP 192 Ca -0.02 1.65 0.01 0.00 0.18 0.00 0.00 52.55 54.36 1pjz s ASP 192 Cb -0.03 -2.53 0.04 0.00 1.07 0.00 0.00 42.92 41.47 1pjz s ASP 192 CO -0.01 -1.43 -0.09 -0.70 1.18 0.00 0.00 175.17 174.12 1pjz s GLU 193 N 5.09 1.86 -0.23 8.23 2.12 0.15 -1.31 118.70 134.62 1pjz s GLU 193 Ca 0.78 -0.79 -0.15 0.00 0.36 0.00 0.00 54.97 55.17 1pjz s GLU 193 Cb -0.26 -2.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.74 1pjz s GLU 193 CO 0.32 -0.45 0.37 -1.01 -0.54 0.00 0.00 175.26 173.95 1pjz s HIS 194 N 1.45 3.32 0.11 5.30 3.76 0.19 -1.12 115.29 128.30 1pjz s HIS 194 Ca -0.01 0.50 0.03 0.00 -0.15 0.00 0.00 55.06 55.43 1pjz s HIS 194 Cb -0.16 -2.52 -0.04 0.00 1.11 0.00 0.00 32.58 30.97 1pjz s HIS 194 CO -0.08 -0.09 0.17 0.08 -0.85 0.00 0.00 174.74 173.97 1pjz s VAL 195 N 1.59 4.89 -0.14 -0.90 1.01 0.92 0.29 120.40 128.06 1pjz s VAL 195 Ca 0.16 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1pjz s VAL 195 Cb -0.15 -3.44 0.07 0.00 0.00 0.00 0.00 36.38 32.86 1pjz s VAL 195 CO 0.08 0.01 0.20 -0.31 0.00 0.00 0.00 175.10 175.09 1pjz s TYR 196 N -1.60 -0.24 -0.66 5.22 2.02 0.44 -0.69 117.35 121.84 1pjz s TYR 196 Ca 0.32 0.48 -0.25 0.00 -0.37 0.00 0.00 57.07 57.25 1pjz s TYR 196 Cb -0.11 -0.28 0.05 0.00 -0.40 0.00 0.00 41.96 41.21 1pjz s TYR 196 CO 0.25 -0.43 1.09 0.08 -1.57 0.00 0.00 175.55 174.98 1pjz s VAL 197 N 2.32 4.09 -0.41 0.71 1.01 0.28 -0.33 120.40 128.06 1pjz s VAL 197 Ca 0.04 0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 1pjz s VAL 197 Cb -0.14 -4.74 0.03 0.00 0.00 0.00 0.00 36.38 31.53 1pjz s VAL 197 CO -0.09 -1.52 0.30 -0.76 0.00 0.00 0.00 175.10 173.03 1pjz s LEU 198 N 4.72 5.13 -0.79 3.92 1.02 0.11 0.49 118.68 133.27 1pjz s LEU 198 Ca 0.30 -0.99 -0.26 0.00 0.02 0.00 0.00 54.13 53.20 1pjz s LEU 198 Cb -0.12 -2.14 0.03 0.00 0.02 0.00 0.00 46.19 43.98 1pjz s LEU 198 CO 0.15 -0.47 1.36 -0.70 0.02 0.00 0.00 176.35 176.71 1pjz s GLU 199 N 1.65 3.23 -0.44 1.70 -6.30 -0.26 0.54 118.70 118.83 1pjz s GLU 199 Ca 0.04 -0.38 -0.27 0.00 -2.50 0.00 0.00 54.97 51.87 1pjz s GLU 199 Cb -0.20 -4.45 -0.05 0.00 0.00 0.00 0.00 34.13 29.43 1pjz s GLU 199 CO 0.09 -2.22 2.16 0.50 0.02 0.00 0.00 175.26 175.81 1pjz s ARG 200 N 5.68 2.61 0.00 4.30 3.00 0.17 -0.97 118.95 133.73 1pjz s ARG 200 Ca 0.40 1.37 0.26 0.00 -1.00 0.00 0.00 55.73 56.75 1pjz s ARG 200 Cb -0.07 -4.44 0.63 0.00 0.00 0.00 0.00 34.95 31.07 1pjz s ARG 200 CO 0.10 -2.71 1.51 1.33 0.00 0.00 0.00 175.30 175.53