#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 0.27 1.57 7.27 -1.26 -4.11 117.38 121.12 1pjz n GLN 2 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.89 1pjz n GLN 2 Cb 0.00 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.55 1pjz n GLN 2 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1pjz h SER 3 N 0.00 -1.41 -2.60 1.69 0.87 -2.03 -3.37 113.55 106.70 1pjz h SER 3 Ca 0.00 0.12 -0.59 0.00 -1.23 0.00 0.00 61.79 60.09 1pjz h SER 3 Cb 0.00 0.47 -0.39 0.00 -0.44 0.00 0.00 62.40 62.04 1pjz h SER 3 CO 0.00 -0.65 -0.88 -1.83 -0.53 0.00 0.00 176.83 172.93 1pjz s GLU 4 N -5.86 0.88 -0.53 2.24 -1.05 -1.26 -5.02 118.70 108.10 1pjz s GLU 4 Ca -0.18 -1.86 0.05 0.00 -0.15 0.00 0.00 54.97 52.83 1pjz s GLU 4 Cb 0.05 -1.56 0.18 0.00 -0.44 0.00 0.00 34.13 32.36 1pjz s GLU 4 CO 0.61 -1.29 0.44 1.55 0.95 0.00 0.00 175.26 177.52 1pjz n VAL 5 N 3.34 0.09 -1.91 1.83 3.14 -1.26 -4.70 118.33 118.85 1pjz n VAL 5 Ca 0.20 -4.12 0.00 0.00 -2.96 0.00 0.00 64.34 57.46 1pjz n VAL 5 Cb 0.42 -1.90 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 0.59 -6.46 0.00 0.00 176.83 170.96 1pjz n ASN 6 N 2.23 -4.48 -0.41 6.55 3.02 -1.25 -3.29 115.26 117.63 1pjz n ASN 6 Ca 0.26 0.51 0.34 0.00 -0.03 0.00 0.00 54.58 55.65 1pjz n ASN 6 Cb 0.44 -0.93 0.64 0.00 -0.61 0.00 0.00 39.78 39.31 1pjz n ASN 6 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1pjz h LYS 7 N 3.57 0.16 0.10 3.52 3.11 -1.91 0.74 116.57 125.86 1pjz h LYS 7 Ca 0.00 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 1pjz h LYS 7 Cb 0.13 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.33 1pjz h LYS 7 CO 0.00 0.10 -0.05 0.38 -2.81 0.00 0.00 179.45 177.07 1pjz h ASP 8 N 0.16 -0.12 0.01 4.20 2.03 -1.96 0.41 116.42 121.15 1pjz h ASP 8 Ca 0.72 -0.31 0.01 0.00 -0.73 0.00 0.00 57.03 56.73 1pjz h ASP 8 Cb 2.30 0.03 -0.03 0.00 -0.83 0.00 0.00 39.33 40.79 1pjz h ASP 8 CO -0.29 0.26 -0.31 0.25 -1.03 0.00 0.00 179.24 178.12 1pjz h LEU 9 N -0.51 -0.96 -1.55 0.15 7.12 0.23 1.57 115.31 121.35 1pjz h LEU 9 Ca -0.01 0.11 0.07 0.00 0.13 0.00 0.00 57.88 58.17 1pjz h LEU 9 Cb 0.42 0.36 -0.03 0.00 -0.53 0.00 0.00 40.66 40.88 1pjz h LEU 9 CO 0.02 -0.31 0.39 0.06 -0.13 0.00 0.00 178.44 178.48 1pjz h GLN 10 N -0.39 0.53 0.00 1.25 3.07 -1.17 0.22 115.11 118.61 1pjz h GLN 10 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1pjz h GLN 10 Cb 0.42 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.86 1pjz h GLN 10 CO -0.20 0.35 0.00 0.94 0.09 0.00 0.00 178.83 180.00 1pjz n GLN 11 N -4.48 0.00 -0.26 0.06 7.27 0.14 -0.88 117.38 119.23 1pjz n GLN 11 Ca 0.08 0.02 -0.05 0.00 0.07 0.00 0.00 57.00 57.13 1pjz n GLN 11 Cb 0.25 -0.80 0.01 0.00 2.41 0.00 0.00 30.24 32.11 1pjz n GLN 11 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 1pjz h TYR 12 N 0.00 -1.05 -0.15 3.69 0.05 0.22 0.20 116.97 119.93 1pjz h TYR 12 Ca 0.00 0.09 0.05 0.00 0.05 0.00 0.00 58.73 58.91 1pjz h TYR 12 Cb 0.00 0.56 -0.07 0.00 1.01 0.00 0.00 36.73 38.24 1pjz h TYR 12 CO 0.01 -0.39 -0.34 2.35 -1.05 0.00 0.00 178.16 178.73 1pjz h TRP 13 N -0.12 -0.94 -1.00 4.88 2.91 -0.65 2.34 115.95 123.37 1pjz h TRP 13 Ca 0.26 0.04 0.30 0.00 1.13 0.00 0.00 58.89 60.62 1pjz h TRP 13 Cb 0.56 0.43 -0.14 0.00 -0.51 0.00 0.00 29.16 29.51 1pjz h TRP 13 CO -0.73 -0.41 0.57 0.77 -1.03 0.00 0.00 178.44 177.61 1pjz h SER 14 N -0.40 0.56 0.01 2.65 0.02 0.12 0.58 113.55 117.09 1pjz h SER 14 Ca 0.10 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1pjz h SER 14 Cb 0.56 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1pjz h SER 14 CO -0.37 -0.07 -0.05 -1.28 -1.14 0.00 0.00 176.83 173.92 1pjz h SER 15 N 0.40 0.03 -0.96 3.07 0.87 0.15 -3.32 113.55 113.78 1pjz h SER 15 Ca 0.71 -0.96 0.18 0.00 -1.23 0.00 0.00 61.79 60.49 1pjz h SER 15 Cb 1.54 -0.01 -0.17 0.00 -0.44 0.00 0.00 62.40 63.32 1pjz h SER 15 CO -0.57 0.99 -0.29 0.18 -0.53 0.00 0.00 176.83 176.61 1pjz n LEU 16 N -4.60 -0.45 -2.42 2.23 7.99 0.76 -4.79 117.00 115.72 1pjz n LEU 16 Ca -0.10 1.66 -0.15 0.00 -0.01 0.00 0.00 56.01 57.41 1pjz n LEU 16 Cb 0.48 -0.46 0.05 0.00 -0.11 0.00 0.00 43.42 43.38 1pjz n LEU 16 CO 0.35 -1.56 0.14 -3.20 -1.51 0.00 0.00 177.39 171.61 1pjz n ASN 17 N -5.52 -4.77 -4.58 -1.43 2.85 -0.17 -4.92 115.26 96.73 1pjz n ASN 17 Ca 0.13 -0.33 -0.42 0.00 -0.11 0.00 0.00 54.58 53.85 1pjz n ASN 17 Cb 0.45 -3.38 0.00 0.00 1.24 0.00 0.00 39.78 38.09 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 -4.10 2.20 -1.11 3.44 0.31 -1.26 -4.81 118.33 113.02 1pjz n VAL 18 Ca -0.00 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.48 1pjz n VAL 18 Cb 0.54 -1.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.48 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 -0.34 0.00 -2.32 2.52 0.24 -1.26 -4.73 118.33 112.44 1pjz n VAL 19 Ca 0.10 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.34 61.54 1pjz n VAL 19 Cb 0.37 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.71 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 -0.90 3.22 0.00 7.34 0.04 -1.26 -2.11 135.00 141.33 1pjz s PRO 20 Ca 0.50 0.53 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1pjz s PRO 20 Cb -0.44 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 29.94 1pjz s PRO 20 CO 0.59 -2.03 0.00 0.41 0.04 0.00 0.00 177.00 176.01 1pjz n GLY 21 N 5.33 0.63 2.60 0.56 0.00 -1.08 -5.02 105.19 108.21 1pjz n GLY 21 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1pjz n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz n ALA 22 N -1.21 -3.97 -2.62 4.61 0.00 -0.90 -3.10 120.51 113.32 1pjz n ALA 22 Ca 0.00 -0.32 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 1pjz n ALA 22 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.28 3.93 -0.38 0.00 1.81 -0.74 -1.54 118.95 120.75 1pjz s ARG 23 Ca 0.40 0.81 -0.10 0.00 -1.72 0.00 0.00 55.73 55.13 1pjz s ARG 23 Cb -0.28 -3.79 0.04 0.00 -0.45 0.00 0.00 34.95 30.48 1pjz s ARG 23 CO 0.63 -1.00 0.21 0.08 -0.68 0.00 0.00 175.30 174.53 1pjz s VAL 24 N 3.73 4.37 0.14 3.52 1.01 0.13 -1.73 120.40 131.58 1pjz s VAL 24 Ca 0.43 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1pjz s VAL 24 Cb -0.11 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1pjz s VAL 24 CO 0.19 -0.30 0.29 -0.22 0.00 0.00 0.00 175.10 175.06 1pjz s LEU 25 N 1.50 4.33 -0.28 3.92 2.96 -0.36 -1.46 118.68 129.29 1pjz s LEU 25 Ca 0.02 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 1pjz s LEU 25 Cb -0.20 -2.96 0.15 0.00 0.50 0.00 0.00 46.19 43.68 1pjz s LEU 25 CO 0.05 0.06 0.40 0.68 -1.32 0.00 0.00 176.35 176.22 1pjz s VAL 26 N -1.72 -0.62 0.01 1.68 -7.23 -1.17 -0.04 120.40 111.31 1pjz s VAL 26 Ca 0.35 -0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 59.99 1pjz s VAL 26 Cb -0.11 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.84 1pjz s VAL 26 CO 0.28 -0.24 1.19 -2.16 -0.31 0.00 0.00 175.10 173.87 1pjz s PRO 27 N 2.54 4.41 -0.88 4.82 0.04 -1.22 -1.38 135.00 143.33 1pjz s PRO 27 Ca 0.11 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1pjz s PRO 27 Cb -0.13 -3.44 0.11 0.00 0.04 0.00 0.00 34.50 31.08 1pjz s PRO 27 CO -0.26 -0.32 0.28 1.47 0.04 0.00 0.00 177.00 178.21 1pjz n LEU 28 N 4.44 -0.39 -1.35 -3.56 -0.00 0.17 -4.27 117.00 112.04 1pjz n LEU 28 Ca 0.10 -0.42 -0.01 0.00 -0.00 0.00 0.00 56.01 55.67 1pjz n LEU 28 Cb 0.47 -1.06 0.11 0.00 -0.00 0.00 0.00 43.42 42.94 1pjz n LEU 28 CO 0.55 0.05 0.21 0.00 -0.00 0.00 0.00 177.39 178.20 1pjz n GLY 30 N -0.58 -0.56 7.00 0.00 0.00 -1.25 -4.75 105.19 105.05 1pjz n GLY 30 Ca 0.19 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1pjz n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pjz n LYS 31 N -4.50 0.00 0.00 1.61 4.81 -1.26 -4.63 118.16 114.18 1pjz n LYS 31 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1pjz n LYS 31 Cb 0.72 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.77 1pjz n LYS 31 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1pjz n SER 32 N -3.93 0.00 -0.01 3.14 7.64 -1.26 -4.85 113.62 114.35 1pjz n SER 32 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1pjz n SER 32 Cb 0.00 0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.71 0.74 1.43 7.50 -1.90 0.31 115.11 123.90 1pjz h GLN 33 Ca 0.00 -0.56 -0.04 0.00 0.50 0.00 0.00 58.65 58.55 1pjz h GLN 33 Cb 0.00 0.11 0.01 0.00 0.05 0.00 0.00 27.48 27.65 1pjz h GLN 33 CO 0.00 1.18 -0.36 0.22 -1.50 0.00 0.00 178.83 178.37 1pjz h ASP 34 N 0.49 -0.85 -0.55 1.46 3.58 -1.91 1.30 116.42 119.95 1pjz h ASP 34 Ca -0.04 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1pjz h ASP 34 Cb 1.35 0.22 -0.03 0.00 1.72 0.00 0.00 39.33 42.59 1pjz h ASP 34 CO 0.15 -0.53 0.32 0.00 -2.88 0.00 0.00 179.24 176.30 1pjz h MET 35 N -1.13 0.77 -0.32 0.28 -0.00 -1.82 0.16 114.93 112.87 1pjz h MET 35 Ca -0.10 -0.07 -0.11 0.00 -0.00 0.00 0.00 59.70 59.42 1pjz h MET 35 Cb 0.79 -0.16 -0.01 0.00 -0.00 0.00 0.00 31.60 32.21 1pjz h MET 35 CO 0.17 0.56 -0.24 0.77 -0.00 0.00 0.00 176.91 178.16 1pjz h SER 36 N 0.78 0.63 -0.08 -0.10 0.02 -0.76 0.24 113.55 114.28 1pjz h SER 36 Ca 0.20 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1pjz h SER 36 Cb -0.00 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 1pjz h SER 36 CO -0.04 0.86 -0.04 -0.25 -1.14 0.00 0.00 176.83 176.23 1pjz h TRP 37 N 0.54 0.19 0.65 3.45 7.01 0.82 -0.53 115.95 128.07 1pjz h TRP 37 Ca 0.08 -0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 1pjz h TRP 37 Cb 0.71 -0.04 0.01 0.00 -2.10 0.00 0.00 29.16 27.73 1pjz h TRP 37 CO 0.03 0.53 -0.32 -0.07 -2.79 0.00 0.00 178.44 175.82 1pjz h LEU 38 N -0.21 -0.77 -0.91 0.65 3.38 -0.84 0.55 115.31 117.18 1pjz h LEU 38 Ca 0.02 0.03 0.26 0.00 0.09 0.00 0.00 57.88 58.28 1pjz h LEU 38 Cb 0.48 0.20 -0.15 0.00 0.09 0.00 0.00 40.66 41.28 1pjz h LEU 38 CO 0.01 -0.54 0.29 -1.28 0.09 0.00 0.00 178.44 177.01 1pjz h SER 39 N -0.88 0.06 0.55 -0.43 0.87 -0.59 2.05 113.55 115.18 1pjz h SER 39 Ca -0.09 0.20 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 1pjz h SER 39 Cb 0.68 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 1pjz h SER 39 CO 0.14 -0.18 -0.44 1.23 -0.53 0.00 0.00 176.83 177.05 1pjz h GLY 40 N 0.21 0.00 1.69 5.77 0.00 -0.77 -2.87 103.07 107.10 1pjz h GLY 40 Ca 0.60 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.69 1pjz h GLY 40 CO -0.67 0.00 -1.21 -1.61 0.00 0.00 0.00 176.54 173.04 1pjz h GLN 41 N 0.00 0.00 0.00 4.80 5.75 0.77 -3.49 115.11 122.94 1pjz h GLN 41 Ca -0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1pjz h GLN 41 Cb 0.84 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.39 1pjz h GLN 41 CO 0.06 0.85 0.00 0.41 -2.65 0.00 0.00 178.83 177.49 1pjz n GLY 42 N 1.41 0.79 3.29 2.39 0.00 0.57 -4.99 105.19 108.64 1pjz n GLY 42 Ca -0.05 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.53 1.02 -0.74 1.61 1.51 -1.15 -2.63 117.35 115.43 1pjz s TYR 43 Ca 0.00 -1.26 -0.23 0.00 -1.01 0.00 0.00 57.07 54.58 1pjz s TYR 43 Cb 0.00 -0.41 0.07 0.00 -0.11 0.00 0.00 41.96 41.51 1pjz s TYR 43 CO 0.00 -0.73 1.09 -1.58 -1.11 0.00 0.00 175.55 173.22 1pjz s HIS 44 N -4.09 2.65 -0.67 2.71 2.46 -0.59 -4.54 115.29 113.22 1pjz s HIS 44 Ca 0.36 -0.61 -0.22 0.00 0.47 0.00 0.00 55.06 55.06 1pjz s HIS 44 Cb 0.05 -4.39 0.07 0.00 -0.13 0.00 0.00 32.58 28.19 1pjz s HIS 44 CO 0.12 -1.73 0.97 0.08 -2.47 0.00 0.00 174.74 171.70 1pjz s VAL 45 N 4.25 4.35 -0.23 0.89 1.01 -1.26 0.22 120.40 129.64 1pjz s VAL 45 Ca 0.28 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1pjz s VAL 45 Cb -0.12 -4.69 0.07 0.00 0.00 0.00 0.00 36.38 31.65 1pjz s VAL 45 CO 0.06 -1.45 0.07 0.54 0.00 0.00 0.00 175.10 174.32 1pjz s VAL 46 N 3.97 0.36 0.28 2.92 0.11 -0.54 -0.47 120.40 127.03 1pjz s VAL 46 Ca 0.22 -0.66 0.05 0.00 -2.93 0.00 0.00 61.98 58.66 1pjz s VAL 46 Cb -0.17 -1.04 -0.02 0.00 -1.53 0.00 0.00 36.38 33.62 1pjz s VAL 46 CO 0.09 -0.39 0.18 0.61 -3.33 0.00 0.00 175.10 172.25 1pjz n GLY 47 N 5.09 3.27 3.14 6.54 0.00 0.10 -3.06 105.19 120.28 1pjz n GLY 47 Ca -0.07 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 1pjz n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz s ALA 48 N -2.97 0.90 -0.09 4.61 0.00 -0.48 -1.50 121.76 122.22 1pjz s ALA 48 Ca 0.25 -1.18 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1pjz s ALA 48 Cb 0.01 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 1pjz s ALA 48 CO 0.18 -0.15 -0.23 -2.00 0.00 0.00 0.00 175.76 173.56 1pjz s GLU 49 N -3.10 2.88 -1.01 0.00 -6.30 -0.33 0.45 118.70 111.30 1pjz s GLU 49 Ca 0.05 -0.85 -0.02 0.00 -2.50 0.00 0.00 54.97 51.65 1pjz s GLU 49 Cb 0.00 -2.22 0.31 0.00 0.00 0.00 0.00 34.13 32.22 1pjz s GLU 49 CO -0.03 0.20 1.46 1.28 0.02 0.00 0.00 175.26 178.19 1pjz n LEU 50 N 3.46 6.29 -3.28 2.70 7.99 -1.16 0.58 117.00 133.57 1pjz n LEU 50 Ca -0.19 -5.29 -0.08 0.00 -0.01 0.00 0.00 56.01 50.44 1pjz n LEU 50 Cb 0.53 -1.17 -0.05 0.00 -0.11 0.00 0.00 43.42 42.62 1pjz n LEU 50 CO 0.27 1.82 -0.04 -0.44 -1.51 0.00 0.00 177.39 177.50 1pjz s SER 51 N -1.85 -0.01 0.07 -1.43 0.01 0.72 -4.95 113.70 106.26 1pjz s SER 51 Ca 0.34 -0.72 -0.36 0.00 1.31 0.00 0.00 55.95 56.52 1pjz s SER 51 Cb 0.09 1.24 -0.19 0.00 0.21 0.00 0.00 66.02 67.37 1pjz s SER 51 CO 0.04 -0.29 1.58 -0.08 0.41 0.00 0.00 173.24 174.91 1pjz h GLU 52 N 7.62 -1.12 -0.98 12.44 4.81 -1.89 0.21 114.58 135.67 1pjz h GLU 52 Ca -0.02 0.08 0.19 0.00 -0.13 0.00 0.00 59.36 59.48 1pjz h GLU 52 Cb 1.12 0.25 -0.10 0.00 0.63 0.00 0.00 28.75 30.66 1pjz h GLU 52 CO 0.20 -0.75 0.61 0.00 -0.73 0.00 0.00 179.01 178.35 1pjz h ALA 53 N -1.04 1.81 0.09 2.92 0.00 -1.96 0.11 119.26 121.20 1pjz h ALA 53 Ca -0.10 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pjz h ALA 53 Cb 0.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1pjz h ALA 53 CO 0.12 -0.15 -0.08 0.00 0.00 0.00 0.00 179.25 179.13 1pjz h ALA 54 N 1.63 -0.17 -0.60 0.00 0.00 -1.82 -0.17 119.26 118.12 1pjz h ALA 54 Ca 0.55 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.51 1pjz h ALA 54 Cb 0.96 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1pjz h ALA 54 CO -0.32 -0.60 0.40 -0.39 0.00 0.00 0.00 179.25 178.33 1pjz h VAL 55 N -0.19 0.95 -0.31 0.00 -1.51 0.12 0.23 116.25 115.54 1pjz h VAL 55 Ca 0.00 -0.17 -0.03 0.00 -1.23 0.00 0.00 66.70 65.27 1pjz h VAL 55 Cb 0.17 0.40 -0.01 0.00 -2.13 0.00 0.00 31.29 29.72 1pjz h VAL 55 CO -0.01 0.09 0.09 -0.33 -1.23 0.00 0.00 177.57 176.18 1pjz h GLU 56 N 0.51 0.49 0.00 5.19 5.08 0.12 0.11 114.58 126.08 1pjz h GLU 56 Ca 0.27 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1pjz h GLU 56 Cb 0.40 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1pjz h GLU 56 CO -0.08 0.54 -0.30 -0.09 -1.00 0.00 0.00 179.01 178.08 1pjz h ARG 57 N 0.35 0.00 -0.14 2.33 2.43 0.33 -0.10 114.38 119.59 1pjz h ARG 57 Ca 0.10 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.07 1pjz h ARG 57 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1pjz h ARG 57 CO -0.00 0.30 -0.72 1.88 -1.51 0.00 0.00 179.97 179.93 1pjz h TYR 58 N 0.00 0.82 0.00 2.20 -1.99 -0.54 0.68 116.97 118.14 1pjz h TYR 58 Ca -0.00 -0.35 -0.16 0.00 2.00 0.00 0.00 58.73 60.22 1pjz h TYR 58 Cb 0.54 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 39.12 1pjz h TYR 58 CO 0.00 1.14 -0.75 0.74 -0.00 0.00 0.00 178.16 179.29 1pjz h PHE 59 N 0.43 0.00 0.14 4.88 0.04 -0.57 -0.90 116.94 120.95 1pjz h PHE 59 Ca -0.03 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.45 1pjz h PHE 59 Cb 1.31 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.47 1pjz h PHE 59 CO 0.06 0.75 -1.31 0.00 -0.60 0.00 0.00 178.31 177.21 1pjz h THR 60 N 0.00 1.43 -0.11 -1.55 1.03 -0.98 0.48 112.91 113.21 1pjz h THR 60 Ca -0.01 -2.99 -0.19 0.00 -0.01 0.00 0.00 66.41 63.21 1pjz h THR 60 Cb 1.38 2.92 0.01 0.00 -1.07 0.00 0.00 68.15 71.39 1pjz h THR 60 CO 0.10 0.87 -0.69 -0.33 -0.01 0.00 0.00 175.52 175.47 1pjz h GLU 61 N 0.08 0.66 0.11 0.00 4.39 -0.86 -3.28 114.58 115.67 1pjz h GLU 61 Ca -0.16 -0.56 -0.29 0.00 0.34 0.00 0.00 59.36 58.69 1pjz h GLU 61 Cb 2.00 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 30.77 1pjz h GLU 61 CO 0.20 1.18 -1.39 0.00 -1.16 0.00 0.00 179.01 177.84 1pjz h ARG 62 N 0.32 0.24 -0.98 2.33 3.08 -1.26 -3.48 114.38 114.62 1pjz h ARG 62 Ca -0.06 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 1pjz h ARG 62 Cb 1.33 0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.54 1pjz h ARG 62 CO 0.14 1.13 -0.04 0.41 -1.07 0.00 0.00 179.97 180.54 1pjz n GLY 63 N 1.59 0.72 0.52 0.04 0.00 0.16 -4.84 105.19 103.38 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 -0.86 -1.36 0.00 1.61 1.02 -0.91 -5.02 120.64 115.12 1pjz n GLU 64 Ca -0.00 1.06 0.00 0.00 -0.02 0.00 0.00 57.16 58.20 1pjz n GLU 64 Cb 0.51 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 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 -1.93 0.00 -1.10 3.49 6.02 -1.26 -5.13 117.38 117.47 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 0.17 0.00 0.17 0.00 1.02 0.00 0.00 30.24 31.60 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 -1.77 -3.04 -1.09 -0.04 -1.26 -4.99 135.00 122.80 1pjz n PRO 66 Ca 0.00 -1.42 -0.42 0.00 -0.04 0.00 0.00 63.50 61.62 1pjz n PRO 66 Cb 0.00 -1.12 -0.06 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 -2.83 3.08 -0.23 0.54 3.76 -0.14 -4.94 115.29 114.54 1pjz s HIS 67 Ca 0.54 0.26 -0.06 0.00 -0.15 0.00 0.00 55.06 55.65 1pjz s HIS 67 Cb -0.03 -3.37 -0.03 0.00 1.11 0.00 0.00 32.58 30.26 1pjz s HIS 67 CO 0.40 -0.79 0.04 0.42 -0.85 0.00 0.00 174.74 173.96 1pjz s ILE 68 N 2.96 4.15 0.08 0.60 -1.09 -1.26 -1.25 121.20 125.39 1pjz s ILE 68 Ca 0.27 -0.23 0.08 0.00 -2.23 0.00 0.00 60.65 58.54 1pjz s ILE 68 Cb -0.14 -2.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 1pjz s ILE 68 CO 0.18 0.37 -0.22 -0.89 -1.23 0.00 0.00 174.94 173.15 1pjz s THR 69 N 1.45 1.80 -0.44 2.92 2.01 -0.39 -4.97 115.64 118.02 1pjz s THR 69 Ca 0.05 -1.42 -0.11 0.00 0.31 0.00 0.00 61.69 60.53 1pjz s THR 69 Cb -0.15 -1.59 0.08 0.00 0.01 0.00 0.00 72.50 70.85 1pjz s THR 69 CO 0.02 0.10 0.31 -0.44 -0.69 0.00 0.00 174.62 173.93 1pjz s SER 70 N -1.57 5.79 -1.03 3.53 0.01 -1.26 -0.61 113.70 118.56 1pjz s SER 70 Ca 0.08 -1.49 -0.15 0.00 1.31 0.00 0.00 55.95 55.70 1pjz s SER 70 Cb -0.10 -2.05 0.17 0.00 0.21 0.00 0.00 66.02 64.26 1pjz s SER 70 CO 0.03 -0.59 1.18 -1.58 0.41 0.00 0.00 173.24 172.69 1pjz s GLN 71 N 1.48 3.83 2.26 12.44 -0.44 0.14 -4.87 119.66 134.50 1pjz s GLN 71 Ca 0.03 -2.30 0.00 0.00 -2.50 0.00 0.00 55.36 50.59 1pjz s GLN 71 Cb -0.24 -4.86 0.00 0.00 -1.64 0.00 0.00 33.01 26.28 1pjz s GLN 71 CO 0.03 -1.64 0.00 0.41 0.50 0.00 0.00 175.29 174.59 1pjz n GLY 72 N 4.50 0.86 0.05 2.59 0.00 -1.26 -0.23 105.19 111.70 1pjz n GLY 72 Ca 0.27 0.46 0.02 0.00 0.00 0.00 0.00 46.02 46.76 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 4.47 0.55 -4.95 1.61 9.92 -1.26 -5.03 116.55 121.85 1pjz n ASP 73 Ca 0.00 -0.77 -0.20 0.00 -0.53 0.00 0.00 54.79 53.28 1pjz n ASP 73 Cb 0.00 0.67 0.00 0.00 -0.64 0.00 0.00 41.12 41.15 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 -1.00 2.26 0.19 1.24 0.08 0.68 -5.08 117.98 116.35 1pjz s PHE 74 Ca 0.02 -0.58 0.07 0.00 0.12 0.00 0.00 56.93 56.56 1pjz s PHE 74 Cb 0.03 -2.19 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 1pjz s PHE 74 CO 0.11 -0.49 -0.13 0.21 -0.10 0.00 0.00 175.22 174.82 1pjz s LYS 75 N -4.33 1.25 -0.20 0.44 2.20 -1.26 0.23 119.74 118.07 1pjz s LYS 75 Ca 0.51 -1.55 -0.04 0.00 -0.36 0.00 0.00 55.97 54.53 1pjz s LYS 75 Cb -0.05 -0.95 0.08 0.00 -1.51 0.00 0.00 37.83 35.40 1pjz s LYS 75 CO 0.31 0.14 0.17 0.14 -0.36 0.00 0.00 175.35 175.75 1pjz s VAL 76 N -3.09 -0.22 -0.45 4.02 -7.23 0.22 -1.16 120.40 112.49 1pjz s VAL 76 Ca 0.21 -0.18 -0.08 0.00 -1.81 0.00 0.00 61.98 60.12 1pjz s VAL 76 Cb 0.00 -0.66 0.11 0.00 0.56 0.00 0.00 36.38 36.40 1pjz s VAL 76 CO 0.05 -0.27 0.31 -0.47 -0.31 0.00 0.00 175.10 174.41 1pjz s TYR 77 N 2.24 3.43 -0.05 2.82 5.04 0.90 -1.26 117.35 130.47 1pjz s TYR 77 Ca 0.05 -1.88 -0.04 0.00 -2.44 0.00 0.00 57.07 52.76 1pjz s TYR 77 Cb -0.16 -3.35 -0.04 0.00 0.35 0.00 0.00 41.96 38.76 1pjz s TYR 77 CO -0.13 -0.96 0.17 0.00 -1.34 0.00 0.00 175.55 173.29 1pjz s ALA 78 N 1.34 3.92 0.19 3.97 0.00 -0.38 -1.10 121.76 129.71 1pjz s ALA 78 Ca 0.05 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.39 1pjz s ALA 78 Cb -0.25 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 1pjz s ALA 78 CO -0.01 0.70 -0.03 0.00 0.00 0.00 0.00 175.76 176.42 1pjz s ALA 79 N -1.22 3.13 -2.00 0.00 0.00 -1.20 -0.96 121.76 119.50 1pjz s ALA 79 Ca 0.23 -1.43 0.13 0.00 0.00 0.00 0.00 51.96 50.89 1pjz s ALA 79 Cb -0.12 -0.90 0.76 0.00 0.00 0.00 0.00 23.12 22.86 1pjz s ALA 79 CO 0.13 0.45 1.31 -0.35 0.00 0.00 0.00 175.76 177.30 1pjz n PRO 80 N -0.18 0.75 -0.12 0.00 -0.04 -1.26 -3.11 135.00 131.05 1pjz n PRO 80 Ca -0.10 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.13 1pjz n PRO 80 Cb 0.56 -1.26 -0.09 0.00 -0.04 0.00 0.00 33.50 32.66 1pjz n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pjz n GLY 81 N 0.39 -0.37 3.37 0.55 0.00 -1.26 -5.05 105.19 102.81 1pjz n GLY 81 Ca 0.10 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.45 0.63 -0.86 -0.61 -1.16 -1.18 -5.06 121.20 110.51 1pjz s ILE 82 Ca -0.33 -2.00 -0.02 0.00 -0.51 0.00 0.00 60.65 57.79 1pjz s ILE 82 Cb 0.12 -2.60 0.35 0.00 0.61 0.00 0.00 42.46 40.93 1pjz s ILE 82 CO 0.46 0.00 1.96 -0.62 -2.81 0.00 0.00 174.94 173.93 1pjz n GLU 83 N -0.59 3.17 -3.70 3.50 4.71 0.38 -3.28 120.64 124.83 1pjz n GLU 83 Ca -0.01 -3.73 -0.38 0.00 -0.01 0.00 0.00 57.16 53.03 1pjz n GLU 83 Cb 0.66 -2.30 -0.12 0.00 -1.01 0.00 0.00 31.44 28.67 1pjz n GLU 83 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1pjz s ILE 84 N -4.99 4.27 -0.50 -3.67 -1.09 -1.25 0.03 121.20 114.01 1pjz s ILE 84 Ca 0.50 -0.66 -0.15 0.00 -2.23 0.00 0.00 60.65 58.12 1pjz s ILE 84 Cb 0.40 -3.24 0.10 0.00 -1.58 0.00 0.00 42.46 38.15 1pjz s ILE 84 CO -0.37 0.01 0.43 -1.66 -1.23 0.00 0.00 174.94 172.12 1pjz s TRP 85 N 1.54 3.27 0.31 3.97 1.48 -0.56 -3.47 118.94 125.48 1pjz s TRP 85 Ca 0.03 -1.24 -0.29 0.00 -1.06 0.00 0.00 56.10 53.54 1pjz s TRP 85 Cb -0.18 -3.47 -0.10 0.00 -1.16 0.00 0.00 33.47 28.57 1pjz s TRP 85 CO 0.04 -0.92 1.20 0.00 -4.06 0.00 0.00 176.95 173.22 1pjz n GLY 87 N 0.99 0.98 3.16 0.00 0.00 0.20 -0.07 105.19 110.45 1pjz n GLY 87 Ca -0.01 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 0.67 -0.38 1.61 2.15 -0.30 -0.20 116.67 116.22 1pjz s ASP 88 Ca 0.00 -1.13 -0.06 0.00 0.43 0.00 0.00 52.55 51.78 1pjz s ASP 88 Cb 0.00 0.21 0.07 0.00 -0.30 0.00 0.00 42.92 42.89 1pjz s ASP 88 CO 0.00 -0.63 0.17 0.12 -0.17 0.00 0.00 175.17 174.65 1pjz s PHE 89 N -3.88 3.34 0.00 -5.34 2.19 -1.26 -4.61 117.98 108.42 1pjz s PHE 89 Ca 0.19 -1.66 0.00 0.00 0.33 0.00 0.00 56.93 55.79 1pjz s PHE 89 Cb 0.07 -2.66 0.00 0.00 -1.31 0.00 0.00 43.02 39.12 1pjz s PHE 89 CO -0.01 -0.82 0.00 0.34 1.83 0.00 0.00 175.22 176.56 1pjz n PHE 90 N 4.80 0.00 0.00 10.12 -0.00 -1.26 -5.04 117.46 126.08 1pjz n PHE 90 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.35 1pjz n PHE 90 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.91 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1pjz n ALA 91 N 0.00 0.00 0.00 3.13 0.00 -1.26 -5.01 120.51 117.37 1pjz n ALA 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pjz n ALA 91 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -2.57 0.00 -0.00 -1.26 -5.09 117.00 108.07 1pjz n LEU 92 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 1pjz n LEU 92 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1pjz n LEU 92 CO 0.00 0.00 0.15 0.41 -0.00 0.00 0.00 177.39 177.95 1pjz n THR 93 N -0.70 -8.23 0.09 1.47 -1.04 -1.26 -4.42 114.28 100.19 1pjz n THR 93 Ca 0.00 0.23 0.05 0.00 -2.04 0.00 0.00 64.05 62.30 1pjz n THR 93 Cb 0.00 -6.23 0.27 0.00 -1.82 0.00 0.00 70.33 62.55 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 -0.97 0.82 -0.06 2.41 0.00 -1.13 -0.70 120.51 120.88 1pjz n ALA 94 Ca 0.04 0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.43 1pjz n ALA 94 Cb 0.42 -0.95 -0.13 0.00 0.00 0.00 0.00 19.45 18.79 1pjz n ALA 94 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1pjz h ARG 95 N 0.00 0.03 0.06 0.00 0.11 0.43 0.52 114.38 115.53 1pjz h ARG 95 Ca 0.00 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 60.02 1pjz h ARG 95 Cb 0.26 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1pjz h ARG 95 CO 0.00 1.02 -0.03 0.22 0.10 0.00 0.00 179.97 181.28 1pjz h ASP 96 N -0.93 -0.07 0.18 0.08 1.82 -1.16 0.64 116.42 116.99 1pjz h ASP 96 Ca -0.01 -0.42 -0.16 0.00 -0.39 0.00 0.00 57.03 56.05 1pjz h ASP 96 Cb 1.06 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.08 1pjz h ASP 96 CO 0.02 0.40 -0.59 -0.29 -1.61 0.00 0.00 179.24 177.17 1pjz h ILE 97 N -0.56 1.35 0.00 2.25 6.09 -1.16 -3.35 117.51 122.13 1pjz h ILE 97 Ca -0.01 -1.89 0.00 0.00 -1.37 0.00 0.00 64.86 61.59 1pjz h ILE 97 Cb 0.48 1.89 0.00 0.00 0.47 0.00 0.00 36.82 39.66 1pjz h ILE 97 CO 0.01 0.57 0.00 0.61 -3.07 0.00 0.00 178.15 176.28 1pjz n GLY 98 N 0.28 -1.71 5.00 8.18 0.00 0.18 -4.64 105.19 112.48 1pjz n GLY 98 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1pjz n GLY 98 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pjz n HIS 99 N -1.05 0.00 -3.84 1.61 8.25 0.21 -4.36 115.22 116.04 1pjz n HIS 99 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1pjz n HIS 99 Cb 0.00 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 1pjz n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pjz n ALA 101 N 2.81 0.00 -3.74 0.00 0.00 0.09 -1.79 120.51 117.88 1pjz n ALA 101 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 1pjz n ALA 101 Cb 0.59 0.00 -0.00 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 s ALA 102 N -1.00 -1.95 -0.25 0.00 0.00 -0.71 -0.29 121.76 117.56 1pjz s ALA 102 Ca 0.00 0.27 -0.07 0.00 0.00 0.00 0.00 51.96 52.17 1pjz s ALA 102 Cb 0.00 0.57 0.12 0.00 0.00 0.00 0.00 23.12 23.81 1pjz s ALA 102 CO 0.00 -1.06 0.52 -0.59 0.00 0.00 0.00 175.76 174.63 1pjz s PHE 103 N -2.65 -1.10 0.12 0.00 -0.12 -0.41 -1.22 117.98 112.59 1pjz s PHE 103 Ca 0.16 1.76 -0.14 0.00 -0.05 0.00 0.00 56.93 58.67 1pjz s PHE 103 Cb 0.01 0.49 -0.07 0.00 -0.63 0.00 0.00 43.02 42.82 1pjz s PHE 103 CO 0.00 -0.63 0.51 -0.47 -0.05 0.00 0.00 175.22 174.58 1pjz s TYR 104 N 2.74 3.62 -0.01 3.49 6.14 0.94 -1.03 117.35 133.25 1pjz s TYR 104 Ca 0.01 1.02 0.05 0.00 0.64 0.00 0.00 57.07 58.79 1pjz s TYR 104 Cb -0.13 -2.33 -0.01 0.00 0.42 0.00 0.00 41.96 39.91 1pjz s TYR 104 CO -0.16 0.47 -0.16 -0.51 0.64 0.00 0.00 175.55 175.83 1pjz s ASP 105 N -1.64 1.82 0.45 4.32 1.11 0.39 -3.42 116.67 119.70 1pjz s ASP 105 Ca 0.35 -0.29 0.08 0.00 0.18 0.00 0.00 52.55 52.87 1pjz s ASP 105 Cb -0.15 -0.20 0.01 0.00 1.07 0.00 0.00 42.92 43.65 1pjz s ASP 105 CO 0.19 0.18 0.48 0.00 1.18 0.00 0.00 175.17 177.20 1pjz s ARG 106 N -0.41 2.53 -0.79 8.23 1.04 -1.26 -0.39 118.95 127.90 1pjz s ARG 106 Ca 0.06 -1.55 -0.25 0.00 -1.04 0.00 0.00 55.73 52.94 1pjz s ARG 106 Cb -0.06 -2.46 -0.17 0.00 -2.04 0.00 0.00 34.95 30.21 1pjz s ARG 106 CO -0.00 -0.35 2.49 0.00 -0.04 0.00 0.00 175.30 177.39 1pjz n ALA 107 N -1.74 0.59 0.00 7.88 0.00 0.06 -4.43 120.51 122.88 1pjz n ALA 107 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1pjz n ALA 107 Cb 0.61 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 12.82 2.86 0.28 0.00 0.00 -1.26 -4.77 120.51 130.43 1pjz n ALA 108 Ca 0.54 0.00 0.16 0.00 0.00 0.00 0.00 53.44 54.13 1pjz n ALA 108 Cb 0.28 0.23 0.76 0.00 0.00 0.00 0.00 19.45 20.72 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 0.00 0.00 0.00 -0.00 -1.92 -0.98 114.93 112.03 1pjz h MET 109 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1pjz h MET 109 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.06 1pjz h MET 109 CO 0.00 0.07 0.00 0.44 -0.00 0.00 0.00 176.91 177.42 1pjz n ILE 110 N -3.31 0.30 -1.38 -0.10 -0.00 -1.26 -1.67 119.36 111.93 1pjz n ILE 110 Ca -0.01 0.07 0.07 0.00 -0.00 0.00 0.00 62.75 62.88 1pjz n ILE 110 Cb 0.26 -0.77 0.10 0.00 -0.00 0.00 0.00 39.64 39.23 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 -1.19 2.21 -2.66 -1.28 0.00 -0.38 0.65 120.51 117.86 1pjz n ALA 111 Ca 0.11 -2.14 -0.20 0.00 0.00 0.00 0.00 53.44 51.21 1pjz n ALA 111 Cb 0.12 -0.42 -0.12 0.00 0.00 0.00 0.00 19.45 19.03 1pjz n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pjz s LEU 112 N -1.98 2.25 0.59 0.00 1.02 -0.67 -5.08 118.68 114.80 1pjz s LEU 112 Ca 0.22 -0.58 -0.16 0.00 0.02 0.00 0.00 54.13 53.64 1pjz s LEU 112 Cb 0.20 -0.61 -0.04 0.00 0.02 0.00 0.00 46.19 45.75 1pjz s LEU 112 CO 0.02 -0.02 1.05 -2.16 0.02 0.00 0.00 176.35 175.26 1pjz s PRO 113 N -1.57 3.39 0.06 1.29 0.04 -1.26 -4.66 135.00 132.29 1pjz s PRO 113 Ca 0.01 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.09 1pjz s PRO 113 Cb -0.09 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1pjz s PRO 113 CO 0.02 -0.75 1.21 0.00 0.04 0.00 0.00 177.00 177.53 1pjz h ALA 114 N 0.47 -0.27 -0.97 8.56 0.00 -1.97 1.85 119.26 126.93 1pjz h ALA 114 Ca -0.47 0.04 0.23 0.00 0.00 0.00 0.00 54.91 54.71 1pjz h ALA 114 Cb 1.22 1.09 -0.18 0.00 0.00 0.00 0.00 17.79 19.92 1pjz h ALA 114 CO 0.58 -0.42 -0.10 -3.47 0.00 0.00 0.00 179.25 175.83 1pjz n ASP 115 N -3.85 -0.22 0.05 0.00 -0.08 -1.26 0.28 116.55 111.46 1pjz n ASP 115 Ca 0.00 1.65 -0.04 0.00 -1.51 0.00 0.00 54.79 54.89 1pjz n ASP 115 Cb 0.11 -0.55 0.16 0.00 2.34 0.00 0.00 41.12 43.18 1pjz n ASP 115 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 1pjz h MET 116 N 0.00 0.38 0.12 -0.67 4.05 -0.26 -1.65 114.93 116.90 1pjz h MET 116 Ca 0.53 -0.19 0.01 0.00 -0.28 0.00 0.00 59.70 59.77 1pjz h MET 116 Cb 0.97 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.75 1pjz h MET 116 CO -0.95 0.74 -0.15 0.00 0.23 0.00 0.00 176.91 176.77 1pjz h ARG 117 N 0.32 -0.31 -0.08 0.39 2.47 1.66 0.59 114.38 119.42 1pjz h ARG 117 Ca 0.03 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1pjz h ARG 117 Cb 0.87 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.26 1pjz h ARG 117 CO 0.07 -0.20 0.02 0.93 0.56 0.00 0.00 179.97 181.34 1pjz h GLU 118 N -0.32 0.13 -0.01 0.04 5.08 -0.92 0.12 114.58 118.69 1pjz h GLU 118 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1pjz h GLU 118 Cb 0.32 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1pjz h GLU 118 CO -0.07 0.34 0.02 0.07 -1.00 0.00 0.00 179.01 178.37 1pjz h ARG 119 N -0.10 0.00 0.00 2.33 -0.00 -1.11 0.39 114.38 115.89 1pjz h ARG 119 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.00 1pjz h ARG 119 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.24 1pjz h ARG 119 CO 0.00 0.00 -0.08 -0.92 -0.00 0.00 0.00 179.97 178.97 1pjz h TYR 120 N 0.00 0.00 -0.58 4.08 5.03 0.76 -0.77 116.97 125.49 1pjz h TYR 120 Ca 0.01 0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.41 1pjz h TYR 120 Cb 0.05 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.29 1pjz h TYR 120 CO 0.00 0.00 0.39 -0.39 -1.32 0.00 0.00 178.16 176.84 1pjz h VAL 121 N -0.97 0.89 -0.00 1.81 -1.51 -0.59 0.41 116.25 116.28 1pjz h VAL 121 Ca 0.00 -0.13 -0.01 0.00 -1.23 0.00 0.00 66.70 65.33 1pjz h VAL 121 Cb 0.08 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 29.73 1pjz h VAL 121 CO 0.00 0.07 -0.04 0.06 -1.23 0.00 0.00 177.57 176.43 1pjz h GLN 122 N 0.38 0.03 -0.57 5.19 3.07 -0.35 -1.36 115.11 121.49 1pjz h GLN 122 Ca 0.27 -0.03 0.05 0.00 0.09 0.00 0.00 58.65 59.02 1pjz h GLN 122 Cb 0.54 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 28.08 1pjz h GLN 122 CO -0.07 0.77 0.38 1.25 0.09 0.00 0.00 178.83 181.25 1pjz h HIS 123 N -0.69 0.59 0.29 0.06 2.76 -0.27 0.20 115.15 118.09 1pjz h HIS 123 Ca -0.00 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1pjz h HIS 123 Cb 0.78 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.55 1pjz h HIS 123 CO 0.18 0.33 -0.14 1.25 -1.30 0.00 0.00 177.93 178.25 1pjz h LEU 124 N 0.59 -0.33 -1.76 0.26 7.12 -0.22 -1.49 115.31 119.48 1pjz h LEU 124 Ca 0.24 0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.27 1pjz h LEU 124 Cb 0.20 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.42 1pjz h LEU 124 CO -0.07 -0.11 0.43 1.05 -0.13 0.00 0.00 178.44 179.61 1pjz h GLU 125 N -0.64 0.00 0.21 1.25 -0.00 -1.04 2.52 114.58 116.87 1pjz h GLU 125 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.31 1pjz h GLU 125 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.05 1pjz h GLU 125 CO 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 179.01 178.97 1pjz h ALA 126 N 1.19 -0.30 -0.02 1.06 0.00 -0.46 -3.26 119.26 117.46 1pjz h ALA 126 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pjz h ALA 126 Cb 0.87 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1pjz h ALA 126 CO -0.00 -0.28 0.00 1.47 0.00 0.00 0.00 179.25 180.44 1pjz n LEU 127 N -4.73 0.32 -4.40 0.00 -0.00 -0.31 -4.87 117.00 103.00 1pjz n LEU 127 Ca -0.04 -0.12 -0.30 0.00 -0.00 0.00 0.00 56.01 55.55 1pjz n LEU 127 Cb 0.11 -0.01 0.27 0.00 -0.00 0.00 0.00 43.42 43.80 1pjz n LEU 127 CO 0.09 0.06 0.48 -0.04 -0.00 0.00 0.00 177.39 177.98 1pjz s MET 128 N -1.98 -2.43 0.00 1.47 -1.94 0.83 0.29 119.30 115.53 1pjz s MET 128 Ca 0.39 0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.39 1pjz s MET 128 Cb 0.18 -1.45 0.00 0.00 2.01 0.00 0.00 34.83 35.58 1pjz s MET 128 CO 0.31 -4.53 0.00 -0.35 -0.01 0.00 0.00 175.02 170.44 1pjz n PRO 129 N -5.36 0.00 0.00 2.03 -0.04 -1.11 -3.21 135.00 127.31 1pjz n PRO 129 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1pjz n PRO 129 Cb 0.60 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 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 0.00 0.00 -3.82 0.54 6.02 -1.11 -4.70 117.38 114.31 1pjz n GLN 130 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 1pjz n GLN 130 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 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 0.00 3.22 0.26 -1.58 0.00 -0.80 -3.29 121.76 119.56 1pjz s ALA 131 Ca 0.00 -3.41 -0.12 0.00 0.00 0.00 0.00 51.96 48.43 1pjz s ALA 131 Cb 0.00 -2.06 -0.00 0.00 0.00 0.00 0.00 23.12 21.06 1pjz s ALA 131 CO 0.00 -2.06 0.48 0.00 0.00 0.00 0.00 175.76 174.18 1pjz s SER 133 N -3.04 4.74 0.08 0.00 1.04 0.61 0.41 113.70 117.54 1pjz s SER 133 Ca 0.23 -1.24 -0.21 0.00 0.48 0.00 0.00 55.95 55.21 1pjz s SER 133 Cb -0.01 -1.68 -0.07 0.00 0.10 0.00 0.00 66.02 64.37 1pjz s SER 133 CO 0.10 -0.23 0.64 -0.83 0.98 0.00 0.00 173.24 173.90 1pjz s GLY 134 N 1.24 2.73 -0.32 7.32 0.00 0.23 -1.29 107.32 117.23 1pjz s GLY 134 Ca -0.05 0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.81 1pjz s GLY 134 CO -0.02 0.66 0.08 -2.27 0.00 0.00 0.00 173.10 171.55 1pjz s LEU 135 N -0.86 3.04 0.12 0.66 2.96 -0.19 -0.29 118.68 124.12 1pjz s LEU 135 Ca 0.32 -1.79 -0.21 0.00 -0.22 0.00 0.00 54.13 52.22 1pjz s LEU 135 Cb -0.20 -1.11 -0.07 0.00 0.50 0.00 0.00 46.19 45.31 1pjz s LEU 135 CO 0.21 -0.40 0.64 -0.22 -1.32 0.00 0.00 176.35 175.26 1pjz s LEU 136 N 1.39 4.52 -0.14 -0.68 0.20 -0.12 -0.46 118.68 123.38 1pjz s LEU 136 Ca 0.10 1.38 -0.02 0.00 0.69 0.00 0.00 54.13 56.28 1pjz s LEU 136 Cb -0.18 -3.10 0.05 0.00 -0.43 0.00 0.00 46.19 42.52 1pjz s LEU 136 CO -0.20 0.22 0.02 -0.63 -0.29 0.00 0.00 176.35 175.48 1pjz s ILE 137 N -1.18 0.44 0.23 6.68 1.09 0.48 -0.27 121.20 128.67 1pjz s ILE 137 Ca 0.33 -0.24 0.00 0.00 -1.10 0.00 0.00 60.65 59.64 1pjz s ILE 137 Cb -0.20 -0.79 -0.00 0.00 -1.06 0.00 0.00 42.46 40.41 1pjz s ILE 137 CO 0.21 0.01 0.00 0.35 -0.10 0.00 0.00 174.94 175.41 1pjz n THR 138 N 5.10 0.00 -4.14 2.92 -2.24 0.18 -0.76 114.28 115.34 1pjz n THR 138 Ca -0.08 -1.09 -0.14 0.00 -2.27 0.00 0.00 64.05 60.47 1pjz n THR 138 Cb 0.49 0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 1pjz n THR 138 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1pjz s LEU 139 N 0.00 1.11 0.00 3.22 0.05 -1.26 0.27 118.68 122.07 1pjz s LEU 139 Ca 0.00 -1.44 0.00 0.00 0.05 0.00 0.00 54.13 52.74 1pjz s LEU 139 Cb 0.00 1.06 0.00 0.00 -2.05 0.00 0.00 46.19 45.20 1pjz s LEU 139 CO 0.00 -1.12 0.00 1.21 -0.55 0.00 0.00 176.35 175.89 1pjz n GLU 140 N -0.48 0.00 0.00 1.48 2.13 -0.13 -3.95 120.64 119.69 1pjz n GLU 140 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1pjz n GLU 140 Cb 0.63 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.34 1pjz n GLU 140 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1pjz n TYR 141 N -0.31 0.00 -0.64 4.31 4.19 -1.26 -4.39 117.16 119.06 1pjz n TYR 141 Ca 0.00 0.00 -0.21 0.00 3.31 0.00 0.00 57.90 61.00 1pjz n TYR 141 Cb 0.00 -0.01 -0.01 0.00 0.49 0.00 0.00 39.34 39.81 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 -1.28 -1.09 0.00 2.98 5.68 -1.26 -4.64 116.55 116.94 1pjz n ASP 142 Ca 0.00 0.44 0.00 0.00 -0.50 0.00 0.00 54.79 54.73 1pjz n ASP 142 Cb 0.00 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.55 1pjz n ASP 142 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pjz n GLN 143 N 0.58 0.00 -2.39 0.11 10.64 -1.26 -4.11 117.38 120.94 1pjz n GLN 143 Ca 0.07 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.99 1pjz n GLN 143 Cb 0.16 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.55 1pjz n GLN 143 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pjz n ALA 144 N 0.00 4.90 0.00 2.61 0.00 -1.26 -4.43 120.51 122.32 1pjz n ALA 144 Ca 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 53.44 49.35 1pjz n ALA 144 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.51 0.00 -4.63 0.00 -0.00 -1.26 -5.11 117.00 105.49 1pjz n LEU 145 Ca 0.38 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.98 1pjz n LEU 145 Cb 0.74 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 44.10 1pjz n LEU 145 CO 0.34 0.00 0.42 -0.22 -0.00 0.00 0.00 177.39 177.93 1pjz s LEU 146 N 0.00 4.08 -0.84 1.47 2.96 -1.26 -4.71 118.68 120.37 1pjz s LEU 146 Ca 0.00 0.77 -0.33 0.00 -0.22 0.00 0.00 54.13 54.35 1pjz s LEU 146 Cb 0.00 -2.90 -0.19 0.00 0.50 0.00 0.00 46.19 43.60 1pjz s LEU 146 CO 0.00 -0.37 2.56 -0.62 -1.32 0.00 0.00 176.35 176.60 1pjz n GLU 147 N 5.64 0.17 -0.08 1.98 1.02 -1.26 -4.13 120.64 123.97 1pjz n GLU 147 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1pjz n GLU 147 Cb 0.49 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1pjz n GLU 147 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pjz n GLY 148 N 6.60 0.34 3.62 0.62 0.00 -1.26 -4.97 105.19 110.15 1pjz n GLY 148 Ca 0.60 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.44 3.80 -0.05 1.61 0.04 -1.26 -4.67 135.00 131.03 1pjz s PRO 149 Ca 0.00 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 1pjz s PRO 149 Cb 0.00 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.57 1pjz s PRO 149 CO 0.00 -1.27 1.22 -1.25 0.04 0.00 0.00 177.00 175.73 1pjz s PRO 150 N 4.45 4.35 -0.13 0.56 0.04 -1.25 -4.57 135.00 138.44 1pjz s PRO 150 Ca 0.59 1.70 0.01 0.00 0.04 0.00 0.00 61.00 63.34 1pjz s PRO 150 Cb -0.16 -3.56 0.18 0.00 0.04 0.00 0.00 34.50 31.00 1pjz s PRO 150 CO 0.26 -0.46 1.32 0.34 0.04 0.00 0.00 177.00 178.51 1pjz n PHE 151 N 5.20 0.87 -1.53 0.56 7.35 0.21 -4.86 117.46 125.26 1pjz n PHE 151 Ca 0.11 -0.94 -0.05 0.00 -0.76 0.00 0.00 57.45 55.81 1pjz n PHE 151 Cb 0.46 -0.47 0.01 0.00 0.35 0.00 0.00 39.48 39.82 1pjz n PHE 151 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1pjz n SER 152 N 0.11 -1.90 -4.70 -2.13 3.41 -1.25 -4.67 113.62 102.48 1pjz n SER 152 Ca 0.17 0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.41 1pjz n SER 152 Cb 0.81 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.37 2.62 -0.36 -3.33 1.01 -1.26 -4.91 120.40 113.79 1pjz s VAL 153 Ca 0.05 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 1pjz s VAL 153 Cb -0.01 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1pjz s VAL 153 CO 0.12 0.01 1.39 -2.16 0.00 0.00 0.00 175.10 174.45 1pjz s PRO 154 N 2.02 3.70 0.54 2.72 0.04 -1.26 -4.85 135.00 137.91 1pjz s PRO 154 Ca 0.75 1.08 0.48 0.00 0.04 0.00 0.00 61.00 63.35 1pjz s PRO 154 Cb -0.44 -3.98 1.70 0.00 0.04 0.00 0.00 34.50 31.82 1pjz s PRO 154 CO 0.33 -1.40 1.54 1.04 0.04 0.00 0.00 177.00 178.55 1pjz n GLN 155 N 7.80 -0.00 -0.13 4.56 6.02 -1.26 0.35 117.38 134.72 1pjz n GLN 155 Ca 0.16 1.09 -0.05 0.00 -0.01 0.00 0.00 57.00 58.18 1pjz n GLN 155 Cb 0.47 -2.47 0.13 0.00 1.02 0.00 0.00 30.24 29.39 1pjz n GLN 155 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pjz h THR 156 N 0.00 1.25 -0.52 5.09 1.03 -1.97 -0.04 112.91 117.74 1pjz h THR 156 Ca 0.93 -1.05 -0.04 0.00 -0.01 0.00 0.00 66.41 66.24 1pjz h THR 156 Cb 3.66 0.88 -0.02 0.00 -1.07 0.00 0.00 68.15 71.59 1pjz h THR 156 CO -0.05 0.37 0.19 -0.25 -0.01 0.00 0.00 175.52 175.76 1pjz h TRP 157 N 0.78 0.82 0.71 0.00 7.01 0.58 0.52 115.95 126.37 1pjz h TRP 157 Ca 0.15 -0.07 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 1pjz h TRP 157 Cb 0.49 -0.24 0.01 0.00 -2.10 0.00 0.00 29.16 27.31 1pjz h TRP 157 CO 0.03 0.69 -0.34 -0.07 -2.79 0.00 0.00 178.44 175.96 1pjz h LEU 158 N 0.71 -0.80 -1.93 0.65 4.07 -1.12 0.30 115.31 117.19 1pjz h LEU 158 Ca 0.17 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1pjz h LEU 158 Cb 0.24 0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1pjz h LEU 158 CO -0.01 -0.54 0.00 -0.74 -1.08 0.00 0.00 178.44 176.07 1pjz h HIS 159 N -1.01 0.00 0.05 1.13 -0.00 -0.89 3.13 115.15 117.57 1pjz h HIS 159 Ca -0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.27 1pjz h HIS 159 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 1pjz h HIS 159 CO -0.02 0.00 -0.03 -0.09 -0.00 0.00 0.00 177.93 177.80 1pjz h ARG 160 N 0.00 -0.07 0.00 5.26 2.43 0.11 -3.33 114.38 118.78 1pjz h ARG 160 Ca 0.00 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.79 1pjz h ARG 160 Cb 0.09 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 1pjz h ARG 160 CO 0.00 -0.05 -2.07 1.55 -1.51 0.00 0.00 179.97 177.89 1pjz n VAL 161 N -4.70 1.53 0.00 0.20 3.14 0.95 -4.13 118.33 115.33 1pjz n VAL 161 Ca -0.01 -0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 1pjz n VAL 161 Cb 0.03 -1.93 0.00 0.00 -1.06 0.00 0.00 33.84 30.88 1pjz n VAL 161 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 1pjz n MET 162 N -4.29 0.00 -3.62 1.45 1.56 1.04 -4.08 117.12 109.18 1pjz n MET 162 Ca -0.46 0.00 -0.39 0.00 -0.27 0.00 0.00 57.70 56.57 1pjz n MET 162 Cb 0.82 -1.22 -0.09 0.00 2.15 0.00 0.00 33.22 34.88 1pjz n MET 162 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1pjz s SER 163 N -1.92 5.60 0.00 6.12 0.15 -0.62 -4.44 113.70 118.59 1pjz s SER 163 Ca 0.00 -2.21 0.00 0.00 0.70 0.00 0.00 55.95 54.44 1pjz s SER 163 Cb 0.00 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 1pjz s SER 163 CO 0.00 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1pjz n GLY 164 N 4.45 0.00 0.00 9.45 0.00 -1.26 -4.91 105.19 112.92 1pjz n GLY 164 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.67 1.61 5.03 -1.26 -5.11 115.26 111.86 1pjz n ASN 165 Ca 0.00 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.31 1pjz n ASN 165 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 38.62 1pjz n ASN 165 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 1pjz s TRP 166 N 0.00 -0.34 -0.97 3.10 -2.14 -1.26 -0.79 118.94 116.54 1pjz s TRP 166 Ca 0.00 0.84 -0.24 0.00 2.66 0.00 0.00 56.10 59.37 1pjz s TRP 166 Cb 0.00 -0.10 -0.00 0.00 -3.10 0.00 0.00 33.47 30.27 1pjz s TRP 166 CO 0.00 -0.32 1.72 -1.21 -2.66 0.00 0.00 176.95 174.48 1pjz s GLU 167 N 2.29 3.05 -0.02 3.25 2.02 -0.19 -4.49 118.70 124.60 1pjz s GLU 167 Ca 0.01 -0.72 -0.30 0.00 0.02 0.00 0.00 54.97 53.98 1pjz s GLU 167 Cb -0.12 -5.21 -0.04 0.00 0.10 0.00 0.00 34.13 28.86 1pjz s GLU 167 CO -0.08 -2.85 1.24 0.14 0.02 0.00 0.00 175.26 173.74 1pjz s VAL 168 N 7.69 4.11 0.06 2.63 -7.23 -1.26 -0.99 120.40 125.41 1pjz s VAL 168 Ca 0.59 1.46 0.09 0.00 -1.81 0.00 0.00 61.98 62.31 1pjz s VAL 168 Cb -0.03 -3.94 -0.03 0.00 0.56 0.00 0.00 36.38 32.94 1pjz s VAL 168 CO -0.04 0.02 -0.26 -0.89 -0.31 0.00 0.00 175.10 173.62 1pjz s THR 169 N 2.06 2.08 0.35 5.32 2.01 0.50 -4.82 115.64 123.14 1pjz s THR 169 Ca 0.58 -1.42 -0.27 0.00 0.31 0.00 0.00 61.69 60.88 1pjz s THR 169 Cb -0.27 -1.80 -0.09 0.00 0.01 0.00 0.00 72.50 70.35 1pjz s THR 169 CO 0.24 0.30 1.22 -1.59 -0.69 0.00 0.00 174.62 174.10 1pjz s LYS 170 N -1.37 4.27 0.03 4.92 -2.85 -1.26 -0.18 119.74 123.31 1pjz s LYS 170 Ca 0.11 2.01 -0.29 0.00 -1.00 0.00 0.00 55.97 56.80 1pjz s LYS 170 Cb -0.10 -2.93 0.10 0.00 -2.06 0.00 0.00 37.83 32.84 1pjz s LYS 170 CO 0.03 -0.18 1.09 0.54 0.10 0.00 0.00 175.35 176.92 1pjz s VAL 171 N -1.25 0.00 0.00 1.79 0.11 0.86 -4.73 120.40 117.19 1pjz s VAL 171 Ca 0.51 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1pjz s VAL 171 Cb -0.35 -1.73 0.00 0.00 -1.53 0.00 0.00 36.38 32.77 1pjz s VAL 171 CO 0.45 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 1pjz n GLY 172 N -0.40 -1.28 0.00 6.54 0.00 -1.26 0.30 105.19 109.09 1pjz n GLY 172 Ca -0.07 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.01 3.86 -0.02 0.00 -0.40 -4.88 105.19 102.73 1pjz n GLY 173 Ca 0.00 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 1pjz n GLY 173 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pjz s GLN 174 N -2.00 2.36 -0.14 1.61 -2.07 -1.26 -1.03 119.66 117.13 1pjz s GLN 174 Ca 0.00 -1.79 0.00 0.00 -1.82 0.00 0.00 55.36 51.75 1pjz s GLN 174 Cb 0.00 -2.18 0.00 0.00 -1.09 0.00 0.00 33.01 29.74 1pjz s GLN 174 CO 0.00 -0.34 0.00 -0.25 -1.32 0.00 0.00 175.29 173.38 1pjz n ASP 175 N -1.56 -5.20 -3.72 12.60 9.92 -1.11 -4.83 116.55 122.65 1pjz n ASP 175 Ca 0.01 0.03 -0.30 0.00 -0.53 0.00 0.00 54.79 54.00 1pjz n ASP 175 Cb 0.63 -2.82 -0.08 0.00 -0.64 0.00 0.00 41.12 38.22 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 -2.28 2.58 -0.09 -3.53 5.66 -1.17 -4.80 114.28 110.64 1pjz n THR 176 Ca -0.01 -5.19 -0.13 0.00 -3.05 0.00 0.00 64.05 55.67 1pjz n THR 176 Cb 0.38 -2.17 -0.01 0.00 -1.55 0.00 0.00 70.33 66.99 1pjz n THR 176 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 1pjz h LEU 177 N 4.91 0.93 -1.94 1.09 8.10 -1.90 -2.46 115.31 124.03 1pjz h LEU 177 Ca 0.18 -0.45 0.00 0.00 0.11 0.00 0.00 57.88 57.72 1pjz h LEU 177 Cb 0.70 -0.26 0.00 0.00 -0.44 0.00 0.00 40.66 40.66 1pjz h LEU 177 CO 0.86 1.23 0.32 0.45 -4.11 0.00 0.00 178.44 177.19 1pjz h HIS 178 N 0.69 0.00 -0.17 0.17 3.86 -1.93 0.36 115.15 118.13 1pjz h HIS 178 Ca 0.04 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 1pjz h HIS 178 Cb 1.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 1pjz h HIS 178 CO 0.06 0.00 0.16 0.66 0.86 0.00 0.00 177.93 179.67 1pjz h SER 179 N 0.00 0.00 -3.94 2.45 4.64 -1.84 -3.42 113.55 111.45 1pjz h SER 179 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1pjz h SER 179 Cb 0.64 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.59 1pjz h SER 179 CO 0.00 0.00 -0.70 -0.55 -0.87 0.00 0.00 176.83 174.71 1pjz s SER 180 N -6.15 1.81 0.02 4.97 0.15 0.12 -3.83 113.70 110.79 1pjz s SER 180 Ca -0.05 -1.05 0.11 0.00 0.70 0.00 0.00 55.95 55.66 1pjz s SER 180 Cb 0.16 -0.01 -0.21 0.00 -1.71 0.00 0.00 66.02 64.25 1pjz s SER 180 CO 0.60 -0.36 0.88 0.00 1.20 0.00 0.00 173.24 175.56 1pjz h ALA 181 N 2.72 0.64 -0.02 5.45 0.00 -1.82 -3.29 119.26 122.94 1pjz h ALA 181 Ca -0.37 -1.24 0.01 0.00 0.00 0.00 0.00 54.91 53.31 1pjz h ALA 181 Cb 1.20 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1pjz h ALA 181 CO 0.64 1.42 0.38 0.00 0.00 0.00 0.00 179.25 181.69 1pjz h ARG 182 N 0.00 0.00 0.39 0.00 3.08 -1.96 0.66 114.38 116.55 1pjz h ARG 182 Ca -0.19 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 1pjz h ARG 182 Cb 1.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.95 1pjz h ARG 182 CO 0.09 0.00 -0.19 0.78 -1.07 0.00 0.00 179.97 179.59 1pjz h GLY 183 N 0.00 -0.54 1.69 0.04 0.00 -1.80 0.60 103.07 103.06 1pjz h GLY 183 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1pjz h GLY 183 CO -0.00 -0.20 -0.25 1.41 0.00 0.00 0.00 176.54 177.51 1pjz h LEU 184 N -0.59 0.00 -0.37 3.11 -0.00 -1.36 1.46 115.31 117.56 1pjz h LEU 184 Ca -0.05 -0.06 -0.18 0.00 -0.00 0.00 0.00 57.88 57.58 1pjz h LEU 184 Cb 0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1pjz h LEU 184 CO 0.09 0.03 -0.60 0.50 -0.00 0.00 0.00 178.44 178.46 1pjz h LYS 185 N 0.00 0.70 0.00 1.13 3.11 -0.67 -3.33 116.57 117.52 1pjz h LYS 185 Ca 0.00 -0.47 -0.25 0.00 -2.81 0.00 0.00 60.65 57.11 1pjz h LYS 185 Cb 0.80 0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 32.05 1pjz h LYS 185 CO 0.00 1.09 -1.95 0.00 -2.81 0.00 0.00 179.45 175.79 1pjz n ALA 186 N -2.55 1.66 -0.47 5.00 0.00 0.18 -5.03 120.51 119.30 1pjz n ALA 186 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1pjz n ALA 186 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 2.26 0.40 0.09 0.00 0.00 0.47 -4.83 105.19 103.57 1pjz n GLY 187 Ca -0.24 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 1pjz n GLY 187 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pjz h LEU 188 N 0.00 0.00 0.00 0.99 -0.00 -0.80 -3.48 115.31 112.02 1pjz h LEU 188 Ca 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 57.88 57.27 1pjz h LEU 188 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1pjz h LEU 188 CO 0.00 1.24 0.00 -0.62 -0.00 0.00 0.00 178.44 179.06 1pjz n GLU 189 N -4.52 0.00 0.00 1.13 -0.58 -1.26 -4.74 120.64 110.67 1pjz n GLU 189 Ca -0.22 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 1pjz n GLU 189 Cb 0.56 -2.54 0.00 0.00 -0.57 0.00 0.00 31.44 28.89 1pjz n GLU 189 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1pjz n ARG 190 N -2.00 0.00 -3.88 3.49 1.85 -1.26 -5.02 116.66 109.84 1pjz n ARG 190 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 1pjz n ARG 190 Cb 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.32 1pjz n ARG 190 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pjz s MET 191 N -0.01 0.67 -0.04 2.89 0.23 -1.26 -4.90 119.30 116.87 1pjz s MET 191 Ca 0.00 -0.70 -0.29 0.00 -1.03 0.00 0.00 55.69 53.67 1pjz s MET 191 Cb 0.00 0.27 -0.03 0.00 -1.53 0.00 0.00 34.83 33.54 1pjz s MET 191 CO 0.00 -0.18 0.94 -0.51 -2.03 0.00 0.00 175.02 173.24 1pjz s ASP 192 N -2.16 7.28 -0.20 -1.18 1.01 -1.26 -2.75 116.67 117.41 1pjz s ASP 192 Ca -0.04 1.55 0.02 0.00 0.71 0.00 0.00 52.55 54.79 1pjz s ASP 192 Cb -0.01 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.41 1pjz s ASP 192 CO -0.05 -0.29 -0.17 -0.70 0.21 0.00 0.00 175.17 174.18 1pjz s GLU 193 N 1.25 2.70 0.31 8.23 2.12 -0.19 -0.95 118.70 132.16 1pjz s GLU 193 Ca 0.49 -0.97 -0.04 0.00 0.36 0.00 0.00 54.97 54.81 1pjz s GLU 193 Cb -0.20 -2.63 -0.05 0.00 0.26 0.00 0.00 34.13 31.51 1pjz s GLU 193 CO 0.24 -0.32 0.58 -1.01 -0.54 0.00 0.00 175.26 174.20 1pjz s HIS 194 N 1.25 3.49 -0.01 5.30 3.76 0.14 -1.28 115.29 127.94 1pjz s HIS 194 Ca 0.01 0.63 -0.09 0.00 -0.15 0.00 0.00 55.06 55.45 1pjz s HIS 194 Cb -0.15 -2.10 0.01 0.00 1.11 0.00 0.00 32.58 31.45 1pjz s HIS 194 CO -0.10 0.12 0.20 0.08 -0.85 0.00 0.00 174.74 174.19 1pjz s VAL 195 N -2.17 0.07 -0.12 -0.90 1.01 0.15 0.50 120.40 118.93 1pjz s VAL 195 Ca 0.44 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1pjz s VAL 195 Cb -0.10 -0.47 0.05 0.00 0.00 0.00 0.00 36.38 35.86 1pjz s VAL 195 CO 0.32 -0.30 0.11 -0.47 0.00 0.00 0.00 175.10 174.76 1pjz s TYR 196 N -1.19 0.02 -0.71 5.22 5.04 0.62 -0.10 117.35 126.27 1pjz s TYR 196 Ca -0.13 0.09 -0.22 0.00 -2.44 0.00 0.00 57.07 54.37 1pjz s TYR 196 Cb -0.06 -0.51 0.08 0.00 0.35 0.00 0.00 41.96 41.82 1pjz s TYR 196 CO 0.02 -0.39 0.99 0.54 -1.34 0.00 0.00 175.55 175.37 1pjz s VAL 197 N 2.20 4.39 -0.23 3.14 0.11 0.75 -0.95 120.40 129.81 1pjz s VAL 197 Ca 0.04 -0.57 -0.10 0.00 -2.93 0.00 0.00 61.98 58.41 1pjz s VAL 197 Cb -0.14 -4.70 -0.05 0.00 -1.53 0.00 0.00 36.38 29.96 1pjz s VAL 197 CO -0.07 -1.47 0.15 -1.48 -3.33 0.00 0.00 175.10 168.90 1pjz s LEU 198 N 3.84 4.11 -0.53 2.54 2.34 0.60 -0.37 118.68 131.21 1pjz s LEU 198 Ca 0.24 0.13 -0.20 0.00 0.06 0.00 0.00 54.13 54.36 1pjz s LEU 198 Cb -0.15 -2.09 0.06 0.00 -0.56 0.00 0.00 46.19 43.45 1pjz s LEU 198 CO 0.07 0.09 0.70 -0.70 -1.06 0.00 0.00 176.35 175.45 1pjz s GLU 199 N 0.90 3.15 -0.64 1.48 2.12 -0.16 0.76 118.70 126.31 1pjz s GLU 199 Ca 0.07 -0.82 -0.26 0.00 0.36 0.00 0.00 54.97 54.32 1pjz s GLU 199 Cb -0.13 -4.11 -0.03 0.00 0.26 0.00 0.00 34.13 30.12 1pjz s GLU 199 CO 0.03 -1.33 1.93 0.50 -0.54 0.00 0.00 175.26 175.85 1pjz s ARG 200 N 2.93 2.55 0.00 4.30 3.52 0.16 -1.02 118.95 131.40 1pjz s ARG 200 Ca 0.18 0.57 0.30 0.00 -0.13 0.00 0.00 55.73 56.65 1pjz s ARG 200 Cb -0.18 -4.49 1.53 0.00 -1.56 0.00 0.00 34.95 30.24 1pjz s ARG 200 CO 0.13 -2.89 2.01 1.33 -0.81 0.00 0.00 175.30 175.07