#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 -0.15 -0.41 0.00 -1.26 -4.94 117.38 110.62 1pjz n GLN 2 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.00 56.94 1pjz n GLN 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.19 1pjz n GLN 2 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 1pjz h SER 3 N 0.00 -1.01 -2.43 1.69 0.02 -2.04 -3.34 113.55 106.43 1pjz h SER 3 Ca 0.00 0.15 -0.58 0.00 -0.84 0.00 0.00 61.79 60.52 1pjz h SER 3 Cb 0.00 0.44 -0.38 0.00 0.14 0.00 0.00 62.40 62.60 1pjz h SER 3 CO 0.00 -0.15 -0.91 -1.83 -1.14 0.00 0.00 176.83 172.80 1pjz s GLU 4 N -4.27 0.74 -0.53 3.45 -1.05 -1.26 -5.03 118.70 110.76 1pjz s GLU 4 Ca -0.06 -1.73 0.05 0.00 -0.15 0.00 0.00 54.97 53.08 1pjz s GLU 4 Cb 0.05 -1.33 0.18 0.00 -0.44 0.00 0.00 34.13 32.60 1pjz s GLU 4 CO 0.31 -1.31 0.44 1.55 0.95 0.00 0.00 175.26 177.20 1pjz n VAL 5 N 3.40 0.08 -1.58 1.83 3.14 -1.26 -4.74 118.33 119.20 1pjz n VAL 5 Ca 0.22 -4.11 0.00 0.00 -2.96 0.00 0.00 64.34 57.48 1pjz n VAL 5 Cb 0.43 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 31.31 1pjz n VAL 5 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1pjz n ASN 6 N 2.24 -3.10 -0.42 6.55 5.15 -1.26 -3.24 115.26 121.18 1pjz n ASN 6 Ca 0.26 0.27 0.35 0.00 -0.60 0.00 0.00 54.58 54.86 1pjz n ASN 6 Cb 0.44 -0.69 0.63 0.00 -0.53 0.00 0.00 39.78 39.62 1pjz n ASN 6 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1pjz h LYS 7 N 2.60 0.08 0.27 1.20 3.11 -1.94 1.07 116.57 122.95 1pjz h LYS 7 Ca 0.00 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 1pjz h LYS 7 Cb 0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.50 1pjz h LYS 7 CO 0.00 0.05 -0.13 -0.44 -2.81 0.00 0.00 179.45 176.12 1pjz h ASP 8 N 0.08 -0.30 0.04 4.20 3.32 -1.97 0.38 116.42 122.17 1pjz h ASP 8 Ca 0.83 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.74 1pjz h ASP 8 Cb 2.49 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 42.09 1pjz h ASP 8 CO -0.50 -0.02 -0.29 0.25 -1.72 0.00 0.00 179.24 176.97 1pjz h LEU 9 N -0.59 -0.87 -1.56 1.55 7.12 0.91 1.60 115.31 123.46 1pjz h LEU 9 Ca -0.04 0.09 0.16 0.00 0.13 0.00 0.00 57.88 58.23 1pjz h LEU 9 Cb 0.43 0.33 -0.05 0.00 -0.53 0.00 0.00 40.66 40.83 1pjz h LEU 9 CO 0.06 -0.29 0.53 0.06 -0.13 0.00 0.00 178.44 178.66 1pjz h GLN 10 N -0.39 0.40 0.00 1.25 3.07 -1.09 0.38 115.11 118.74 1pjz h GLN 10 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1pjz h GLN 10 Cb 0.40 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.87 1pjz h GLN 10 CO -0.17 0.27 0.00 0.94 0.09 0.00 0.00 178.83 179.96 1pjz n GLN 11 N -4.48 0.00 -0.27 0.06 -0.06 0.13 -0.81 117.38 111.95 1pjz n GLN 11 Ca 0.15 0.17 -0.01 0.00 -2.00 0.00 0.00 57.00 55.31 1pjz n GLN 11 Cb 0.57 -0.90 0.05 0.00 -4.06 0.00 0.00 30.24 25.89 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 -0.75 -0.17 3.69 0.05 0.23 0.43 116.97 120.44 1pjz h TYR 12 Ca 0.00 0.08 0.04 0.00 0.05 0.00 0.00 58.73 58.90 1pjz h TYR 12 Cb 0.00 0.44 -0.04 0.00 1.01 0.00 0.00 36.73 38.14 1pjz h TYR 12 CO 0.04 -0.37 -0.10 2.35 -1.05 0.00 0.00 178.16 179.02 1pjz h TRP 13 N -0.06 -0.25 -0.88 4.88 2.91 -0.36 2.82 115.95 125.00 1pjz h TRP 13 Ca 0.32 0.02 0.24 0.00 1.13 0.00 0.00 58.89 60.60 1pjz h TRP 13 Cb 0.58 0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 29.32 1pjz h TRP 13 CO -0.68 -0.16 0.61 0.77 -1.03 0.00 0.00 178.44 177.95 1pjz h SER 14 N -0.10 0.16 0.00 2.65 0.02 0.18 0.69 113.55 117.15 1pjz h SER 14 Ca 0.10 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1pjz h SER 14 Cb 0.25 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1pjz h SER 14 CO -0.24 0.06 -0.70 -1.28 -1.14 0.00 0.00 176.83 173.53 1pjz h SER 15 N 0.15 0.00 -1.00 3.07 0.87 0.21 -3.36 113.55 113.50 1pjz h SER 15 Ca 0.44 -0.30 0.36 0.00 -1.23 0.00 0.00 61.79 61.06 1pjz h SER 15 Cb 1.48 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.26 1pjz h SER 15 CO -0.08 1.04 0.34 -0.07 -0.53 0.00 0.00 176.83 177.54 1pjz h LEU 16 N -1.00 0.02 1.50 2.23 3.38 0.54 -3.43 115.31 118.56 1pjz h LEU 16 Ca -0.14 0.27 -0.22 0.00 0.09 0.00 0.00 57.88 57.87 1pjz h LEU 16 Cb 0.81 0.35 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 1pjz h LEU 16 CO -0.08 -0.39 -0.31 -3.20 0.09 0.00 0.00 178.44 174.54 1pjz n ASN 17 N -5.34 -2.57 -4.25 -0.43 5.15 0.18 -4.80 115.26 103.19 1pjz n ASN 17 Ca 0.32 0.03 -0.37 0.00 -0.60 0.00 0.00 54.58 53.96 1pjz n ASN 17 Cb 1.07 -2.23 0.05 0.00 -0.53 0.00 0.00 39.78 38.14 1pjz n ASN 17 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1pjz n VAL 18 N -3.25 0.56 -0.86 3.44 3.14 -1.26 -4.69 118.33 115.41 1pjz n VAL 18 Ca -0.03 -0.45 -0.29 0.00 -2.96 0.00 0.00 64.34 60.61 1pjz n VAL 18 Cb 0.54 -0.27 -0.01 0.00 -1.06 0.00 0.00 33.84 33.03 1pjz n VAL 18 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1pjz n VAL 19 N -2.23 0.80 -2.34 1.55 0.24 -1.26 -4.71 118.33 110.38 1pjz n VAL 19 Ca 0.05 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.34 61.61 1pjz n VAL 19 Cb 0.51 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.86 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 -0.64 3.46 0.00 7.34 0.04 -1.26 -2.13 135.00 141.81 1pjz s PRO 20 Ca 0.39 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1pjz s PRO 20 Cb -0.49 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 29.98 1pjz s PRO 20 CO 0.38 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 176.11 1pjz n GLY 21 N 5.16 0.64 3.04 0.56 0.00 -1.00 -5.02 105.19 108.57 1pjz n GLY 21 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.62 -5.28 -2.61 4.61 0.00 -0.91 -3.43 120.51 111.27 1pjz n ALA 22 Ca 0.00 -0.73 -0.43 0.00 0.00 0.00 0.00 53.44 52.28 1pjz n ALA 22 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 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 -2.15 3.84 -0.34 0.00 1.81 -0.73 -1.65 118.95 119.74 1pjz s ARG 23 Ca 0.41 0.67 -0.10 0.00 -1.72 0.00 0.00 55.73 55.00 1pjz s ARG 23 Cb -0.17 -3.82 0.01 0.00 -0.45 0.00 0.00 34.95 30.52 1pjz s ARG 23 CO 0.81 -1.08 0.17 0.08 -0.68 0.00 0.00 175.30 174.60 1pjz s VAL 24 N 3.81 4.58 0.25 3.52 1.01 0.20 -1.68 120.40 132.09 1pjz s VAL 24 Ca 0.43 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 1pjz s VAL 24 Cb -0.11 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 1pjz s VAL 24 CO 0.22 -0.06 0.51 -0.22 0.00 0.00 0.00 175.10 175.55 1pjz s LEU 25 N 1.58 4.12 -0.34 3.92 2.96 -0.26 -1.45 118.68 129.21 1pjz s LEU 25 Ca 0.03 0.69 -0.00 0.00 -0.22 0.00 0.00 54.13 54.63 1pjz s LEU 25 Cb -0.18 -3.48 0.14 0.00 0.50 0.00 0.00 46.19 43.17 1pjz s LEU 25 CO 0.06 -0.13 0.20 0.54 -1.32 0.00 0.00 176.35 175.70 1pjz s VAL 26 N -1.97 0.12 -0.17 1.68 0.11 -0.70 -0.30 120.40 119.18 1pjz s VAL 26 Ca 0.43 -1.60 -0.29 0.00 -2.93 0.00 0.00 61.98 57.59 1pjz s VAL 26 Cb -0.11 -1.11 -0.01 0.00 -1.53 0.00 0.00 36.38 33.62 1pjz s VAL 26 CO 0.28 -0.96 1.28 -2.16 -3.33 0.00 0.00 175.10 170.21 1pjz s PRO 27 N 1.19 4.22 -0.52 1.54 0.04 -1.24 -1.20 135.00 139.02 1pjz s PRO 27 Ca 0.17 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 1pjz s PRO 27 Cb -0.22 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1pjz s PRO 27 CO -0.03 -0.73 0.36 1.47 0.04 0.00 0.00 177.00 178.11 1pjz n LEU 28 N 6.68 -0.94 -0.01 -3.56 -0.00 0.22 -4.01 117.00 115.37 1pjz n LEU 28 Ca 0.14 -0.61 -0.02 0.00 -0.00 0.00 0.00 56.01 55.53 1pjz n LEU 28 Cb 0.45 -0.94 -0.02 0.00 -0.00 0.00 0.00 43.42 42.91 1pjz n LEU 28 CO 0.56 0.28 -0.59 0.00 -0.00 0.00 0.00 177.39 177.64 1pjz n GLY 30 N 3.04 1.21 3.65 0.00 0.00 -1.26 -4.85 105.19 106.99 1pjz n GLY 30 Ca -0.04 -0.61 0.03 0.00 0.00 0.00 0.00 46.02 45.39 1pjz n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pjz s LYS 31 N 0.00 0.02 0.00 1.61 -2.85 -1.26 -4.91 119.74 112.35 1pjz s LYS 31 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.01 1pjz s LYS 31 Cb 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 37.83 35.77 1pjz s LYS 31 CO 0.00 -0.00 0.00 0.43 0.10 0.00 0.00 175.35 175.88 1pjz n SER 32 N 3.01 0.00 0.26 0.03 7.64 -1.26 -5.00 113.62 118.30 1pjz n SER 32 Ca -0.17 0.00 0.16 0.00 1.01 0.00 0.00 58.87 59.87 1pjz n SER 32 Cb 0.56 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 64.35 1pjz n SER 32 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1pjz h GLN 33 N 0.00 0.00 0.59 1.43 7.50 -1.96 -0.92 115.11 121.74 1pjz h GLN 33 Ca 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 1pjz h GLN 33 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.54 1pjz h GLN 33 CO 0.00 0.04 -0.28 0.38 -1.50 0.00 0.00 178.83 177.47 1pjz h ASP 34 N 0.00 -0.67 -0.03 1.46 3.04 -1.92 0.31 116.42 118.61 1pjz h ASP 34 Ca -0.00 -0.03 -0.13 0.00 -3.24 0.00 0.00 57.03 53.63 1pjz h ASP 34 Cb 0.61 0.17 -0.01 0.00 -1.04 0.00 0.00 39.33 39.06 1pjz h ASP 34 CO 0.00 -0.31 -0.39 0.00 -2.04 0.00 0.00 179.24 176.51 1pjz h MET 35 N -1.06 0.54 0.00 4.15 -0.00 -1.94 -0.94 114.93 115.68 1pjz h MET 35 Ca -0.08 -0.27 -0.07 0.00 -0.00 0.00 0.00 59.70 59.28 1pjz h MET 35 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.25 1pjz h MET 35 CO 0.13 0.84 -0.35 1.03 -0.00 0.00 0.00 176.91 178.57 1pjz h SER 36 N 0.45 0.00 0.09 -0.10 0.87 -1.16 -1.15 113.55 112.55 1pjz h SER 36 Ca 0.04 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.37 1pjz h SER 36 Cb 0.88 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.86 1pjz h SER 36 CO 0.07 0.35 -0.95 -0.25 -0.53 0.00 0.00 176.83 175.52 1pjz h TRP 37 N 0.00 0.79 0.41 2.24 7.01 -0.03 0.30 115.95 126.67 1pjz h TRP 37 Ca -0.00 -0.49 -0.02 0.00 2.11 0.00 0.00 58.89 60.49 1pjz h TRP 37 Cb 0.66 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.65 1pjz h TRP 37 CO 0.00 1.34 -0.30 -0.07 -2.79 0.00 0.00 178.44 176.62 1pjz h LEU 38 N 0.02 -0.78 0.11 0.65 4.07 -0.84 0.14 115.31 118.68 1pjz h LEU 38 Ca -0.14 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1pjz h LEU 38 Cb 1.67 0.24 -0.01 0.00 1.08 0.00 0.00 40.66 43.64 1pjz h LEU 38 CO 0.18 -0.43 -0.11 0.77 -1.08 0.00 0.00 178.44 177.77 1pjz h SER 39 N -0.68 -0.29 0.00 -0.43 4.64 -1.35 0.98 113.55 116.43 1pjz h SER 39 Ca -0.05 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1pjz h SER 39 Cb 0.56 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1pjz h SER 39 CO 0.02 -0.17 0.32 1.23 -0.87 0.00 0.00 176.83 177.36 1pjz h GLY 40 N -0.24 0.00 0.43 -0.77 0.00 -0.86 0.30 103.07 101.92 1pjz h GLY 40 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 1pjz h GLY 40 CO -0.03 0.00 -2.13 -0.18 0.00 0.00 0.00 176.54 174.20 1pjz n GLN 41 N -2.55 0.70 0.00 4.80 -0.06 0.48 -4.90 117.38 115.85 1pjz n GLN 41 Ca -0.02 0.21 0.00 0.00 -2.00 0.00 0.00 57.00 55.19 1pjz n GLN 41 Cb 0.35 -1.65 0.00 0.00 -4.06 0.00 0.00 30.24 24.89 1pjz n GLN 41 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1pjz n GLY 42 N 1.98 0.34 3.17 1.69 0.00 0.10 -5.03 105.19 107.46 1pjz n GLY 42 Ca -0.34 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 1pjz n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pjz s TYR 43 N 0.00 0.97 -0.73 1.61 1.51 -1.01 -2.37 117.35 117.33 1pjz s TYR 43 Ca 0.00 -1.21 -0.26 0.00 -1.01 0.00 0.00 57.07 54.59 1pjz s TYR 43 Cb 0.00 -0.54 0.04 0.00 -0.11 0.00 0.00 41.96 41.35 1pjz s TYR 43 CO 0.00 -0.47 1.22 -1.01 -1.11 0.00 0.00 175.55 174.17 1pjz s HIS 44 N -3.99 2.36 -0.69 2.71 3.76 -0.66 -4.31 115.29 114.48 1pjz s HIS 44 Ca 0.26 -0.16 -0.19 0.00 -0.15 0.00 0.00 55.06 54.82 1pjz s HIS 44 Cb 0.07 -4.56 0.12 0.00 1.11 0.00 0.00 32.58 29.32 1pjz s HIS 44 CO 0.03 -1.99 0.83 0.08 -0.85 0.00 0.00 174.74 172.84 1pjz s VAL 45 N 5.39 4.82 -0.12 -0.90 1.01 -1.26 0.61 120.40 129.94 1pjz s VAL 45 Ca 0.32 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1pjz s VAL 45 Cb -0.10 -4.57 0.03 0.00 0.00 0.00 0.00 36.38 31.75 1pjz s VAL 45 CO 0.14 -1.24 -0.03 0.54 0.00 0.00 0.00 175.10 174.52 1pjz s VAL 46 N 2.61 0.72 0.10 2.92 0.11 -0.53 -1.02 120.40 125.32 1pjz s VAL 46 Ca 0.18 -0.23 -0.02 0.00 -2.93 0.00 0.00 61.98 58.97 1pjz s VAL 46 Cb -0.18 -0.89 0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1pjz s VAL 46 CO 0.02 0.20 0.17 0.61 -3.33 0.00 0.00 175.10 172.77 1pjz n GLY 47 N 5.02 2.33 3.33 6.54 0.00 0.10 -1.72 105.19 120.79 1pjz n GLY 47 Ca -0.10 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.62 0.32 -0.06 4.61 0.00 -0.34 -1.23 121.76 123.44 1pjz s ALA 48 Ca 0.06 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 50.94 1pjz s ALA 48 Cb -0.01 1.01 -0.01 0.00 0.00 0.00 0.00 23.12 24.12 1pjz s ALA 48 CO 0.05 -0.65 -0.22 -2.00 0.00 0.00 0.00 175.76 172.93 1pjz s GLU 49 N -4.03 2.31 -1.15 0.00 -6.30 -0.28 -0.61 118.70 108.63 1pjz s GLU 49 Ca 0.24 -0.78 -0.04 0.00 -2.50 0.00 0.00 54.97 51.88 1pjz s GLU 49 Cb 0.04 -1.94 0.24 0.00 0.00 0.00 0.00 34.13 32.47 1pjz s GLU 49 CO 0.05 0.30 1.91 1.28 0.02 0.00 0.00 175.26 178.82 1pjz n LEU 50 N 3.10 7.27 -3.72 2.70 7.99 -1.19 0.33 117.00 133.47 1pjz n LEU 50 Ca -0.18 -5.12 -0.14 0.00 -0.01 0.00 0.00 56.01 50.56 1pjz n LEU 50 Cb 0.52 -1.28 -0.09 0.00 -0.11 0.00 0.00 43.42 42.46 1pjz n LEU 50 CO 0.25 1.89 0.11 -0.44 -1.51 0.00 0.00 177.39 177.70 1pjz s SER 51 N -0.71 -0.40 -0.14 -1.43 0.01 0.15 -4.96 113.70 106.23 1pjz s SER 51 Ca 0.41 0.65 -0.13 0.00 1.31 0.00 0.00 55.95 58.20 1pjz s SER 51 Cb 0.15 0.71 -0.04 0.00 0.21 0.00 0.00 66.02 67.04 1pjz s SER 51 CO -0.05 -0.26 -0.25 1.21 0.41 0.00 0.00 173.24 174.30 1pjz n GLU 52 N 2.28 0.40 0.24 12.44 2.13 -1.26 -2.78 120.64 134.10 1pjz n GLU 52 Ca -0.16 0.22 0.18 0.00 0.66 0.00 0.00 57.16 58.06 1pjz n GLU 52 Cb 0.57 -1.27 0.87 0.00 0.27 0.00 0.00 31.44 31.88 1pjz n GLU 52 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pjz h ALA 53 N -1.22 1.63 -0.12 4.31 0.00 -1.98 0.12 119.26 122.00 1pjz h ALA 53 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1pjz h ALA 53 Cb 0.71 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1pjz h ALA 53 CO 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 179.25 178.79 1pjz h ALA 54 N 1.68 0.18 -0.11 0.00 0.00 -1.98 0.15 119.26 119.18 1pjz h ALA 54 Ca 0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1pjz h ALA 54 Cb 0.52 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1pjz h ALA 54 CO -0.00 0.08 0.07 -0.39 0.00 0.00 0.00 179.25 179.00 1pjz h VAL 55 N -0.09 1.08 -0.41 0.00 -1.51 -0.91 0.23 116.25 114.64 1pjz h VAL 55 Ca 0.01 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1pjz h VAL 55 Cb 0.70 1.01 -0.02 0.00 -2.13 0.00 0.00 31.29 30.85 1pjz h VAL 55 CO 0.04 0.07 0.26 -0.33 -1.23 0.00 0.00 177.57 176.37 1pjz h GLU 56 N 0.10 0.55 0.00 5.19 5.08 -1.27 -0.72 114.58 123.50 1pjz h GLU 56 Ca 0.04 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1pjz h GLU 56 Cb 0.05 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1pjz h GLU 56 CO -0.01 0.39 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.17 1pjz h ARG 57 N 0.54 0.00 -0.10 2.33 1.12 -0.41 -0.82 114.38 117.04 1pjz h ARG 57 Ca 0.15 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.89 1pjz h ARG 57 Cb -0.03 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 29.94 1pjz h ARG 57 CO -0.03 0.13 -0.43 1.88 -3.11 0.00 0.00 179.97 178.41 1pjz h TYR 58 N 0.00 0.63 -0.09 2.20 -1.99 0.66 0.41 116.97 118.79 1pjz h TYR 58 Ca -0.00 -0.27 -0.11 0.00 2.00 0.00 0.00 58.73 60.35 1pjz h TYR 58 Cb 0.31 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 1pjz h TYR 58 CO 0.00 1.03 -0.44 0.74 -0.00 0.00 0.00 178.16 179.50 1pjz h PHE 59 N 0.04 0.24 0.21 4.88 0.04 -0.74 -1.38 116.94 120.24 1pjz h PHE 59 Ca -0.03 -0.07 -0.33 0.00 2.80 0.00 0.00 57.97 60.34 1pjz h PHE 59 Cb 1.08 -0.05 0.02 0.00 2.20 0.00 0.00 35.95 39.20 1pjz h PHE 59 CO 0.12 0.61 -1.54 0.00 -0.60 0.00 0.00 178.31 176.90 1pjz h THR 60 N 0.17 1.20 -0.36 -1.55 1.03 -1.17 0.47 112.91 112.70 1pjz h THR 60 Ca 0.01 -2.70 -0.01 0.00 -0.01 0.00 0.00 66.41 63.71 1pjz h THR 60 Cb 0.84 2.94 -0.02 0.00 -1.07 0.00 0.00 68.15 70.84 1pjz h THR 60 CO 0.07 0.83 0.20 -0.33 -0.01 0.00 0.00 175.52 176.27 1pjz h GLU 61 N 0.12 0.51 0.17 0.00 4.39 -0.09 -3.13 114.58 116.55 1pjz h GLU 61 Ca -0.27 -0.06 -0.34 0.00 0.34 0.00 0.00 59.36 59.03 1pjz h GLU 61 Cb 2.12 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 30.68 1pjz h GLU 61 CO 0.23 0.43 -1.65 0.00 -1.16 0.00 0.00 179.01 176.87 1pjz h ARG 62 N 0.46 0.37 -2.90 2.33 -0.00 -1.37 -3.49 114.38 109.78 1pjz h ARG 62 Ca 0.13 -0.62 -0.14 0.00 -0.50 0.00 0.00 59.98 58.85 1pjz h ARG 62 Cb 0.07 0.23 0.05 0.00 0.00 0.00 0.00 29.97 30.32 1pjz h ARG 62 CO -0.02 1.27 -0.25 0.41 0.00 0.00 0.00 179.97 181.37 1pjz n GLY 63 N 1.78 0.34 2.38 0.04 0.00 0.16 -4.99 105.19 104.91 1pjz n GLY 63 Ca -0.21 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 1pjz n GLY 63 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pjz n GLU 64 N -2.13 0.94 -0.94 1.61 0.28 -1.16 -5.04 120.64 114.21 1pjz n GLU 64 Ca -0.03 -2.83 -0.18 0.00 -0.16 0.00 0.00 57.16 53.97 1pjz n GLU 64 Cb 0.53 -1.43 -0.13 0.00 1.43 0.00 0.00 31.44 31.84 1pjz n GLU 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pjz n GLN 65 N 0.55 0.00 0.00 3.44 10.64 -1.26 -4.83 117.38 125.92 1pjz n GLN 65 Ca 0.18 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 1pjz n GLN 65 Cb 0.65 -0.73 0.00 0.00 -0.86 0.00 0.00 30.24 29.30 1pjz n GLN 65 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1pjz n PRO 66 N 4.09 1.88 -1.72 2.61 -0.04 -1.26 -4.76 135.00 135.79 1pjz n PRO 66 Ca 0.42 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.63 1pjz n PRO 66 Cb 0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.44 1pjz n PRO 66 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1pjz n HIS 67 N -0.12 1.82 -3.20 0.54 -0.00 0.04 -4.87 115.22 109.43 1pjz n HIS 67 Ca 0.00 -0.94 -0.41 0.00 0.46 0.00 0.00 57.72 56.83 1pjz n HIS 67 Cb 0.00 -2.45 -0.07 0.00 -0.12 0.00 0.00 29.99 27.35 1pjz n HIS 67 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1pjz s ILE 68 N 12.83 5.01 0.02 3.57 -1.09 -1.25 -1.42 121.20 138.87 1pjz s ILE 68 Ca 0.73 0.69 0.06 0.00 -2.23 0.00 0.00 60.65 59.89 1pjz s ILE 68 Cb -0.00 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 1pjz s ILE 68 CO 0.17 -0.09 -0.18 0.28 -1.23 0.00 0.00 174.94 173.89 1pjz s THR 69 N 2.44 1.42 -0.32 2.92 -1.32 -0.39 -4.96 115.64 115.43 1pjz s THR 69 Ca 0.22 -0.97 -0.12 0.00 -1.21 0.00 0.00 61.69 59.60 1pjz s THR 69 Cb -0.15 -1.22 -0.03 0.00 -1.51 0.00 0.00 72.50 69.58 1pjz s THR 69 CO 0.11 0.23 0.23 -0.55 -2.21 0.00 0.00 174.62 172.44 1pjz s SER 70 N -0.87 6.06 -0.84 8.08 0.15 -1.26 -0.18 113.70 124.84 1pjz s SER 70 Ca 0.06 -0.24 -0.06 0.00 0.70 0.00 0.00 55.95 56.41 1pjz s SER 70 Cb -0.08 -2.14 0.21 0.00 -1.71 0.00 0.00 66.02 62.31 1pjz s SER 70 CO 0.01 -0.17 0.74 -1.10 1.20 0.00 0.00 173.24 173.92 1pjz s GLN 71 N 1.76 3.32 3.48 5.44 1.11 0.14 -4.95 119.66 129.96 1pjz s GLN 71 Ca 0.07 -2.86 0.00 0.00 0.01 0.00 0.00 55.36 52.58 1pjz s GLN 71 Cb -0.17 -4.11 0.00 0.00 -1.01 0.00 0.00 33.01 27.72 1pjz s GLN 71 CO 0.11 -1.24 0.00 0.41 0.01 0.00 0.00 175.29 174.58 1pjz n GLY 72 N 3.11 0.33 1.05 3.09 0.00 -1.26 -0.09 105.19 111.42 1pjz n GLY 72 Ca 0.16 0.64 -0.01 0.00 0.00 0.00 0.00 46.02 46.81 1pjz n GLY 72 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pjz n ASP 73 N 6.71 2.63 -3.94 1.61 2.03 -1.26 -5.00 116.55 119.33 1pjz n ASP 73 Ca 0.00 -3.64 -0.14 0.00 0.52 0.00 0.00 54.79 51.53 1pjz n ASP 73 Cb 0.00 -0.61 -0.09 0.00 -0.72 0.00 0.00 41.12 39.70 1pjz n ASP 73 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1pjz s PHE 74 N -3.17 1.29 0.19 -0.67 0.08 0.87 -5.03 117.98 111.54 1pjz s PHE 74 Ca 0.43 -1.43 0.06 0.00 0.12 0.00 0.00 56.93 56.11 1pjz s PHE 74 Cb 0.39 -0.56 -0.05 0.00 -0.57 0.00 0.00 43.02 42.23 1pjz s PHE 74 CO 0.01 -0.73 -0.10 0.21 -0.10 0.00 0.00 175.22 174.51 1pjz s LYS 75 N -3.93 1.23 -0.22 0.44 2.20 -1.26 0.27 119.74 118.46 1pjz s LYS 75 Ca 0.39 -1.55 -0.04 0.00 -0.36 0.00 0.00 55.97 54.40 1pjz s LYS 75 Cb 0.05 -0.84 0.09 0.00 -1.51 0.00 0.00 37.83 35.62 1pjz s LYS 75 CO 0.16 0.09 0.16 0.14 -0.36 0.00 0.00 175.35 175.54 1pjz s VAL 76 N -3.19 -0.18 -0.50 4.02 -7.23 0.74 -1.42 120.40 112.65 1pjz s VAL 76 Ca 0.21 -0.34 -0.14 0.00 -1.81 0.00 0.00 61.98 59.90 1pjz s VAL 76 Cb 0.02 -0.75 0.11 0.00 0.56 0.00 0.00 36.38 36.32 1pjz s VAL 76 CO 0.05 -0.40 0.42 -0.47 -0.31 0.00 0.00 175.10 174.39 1pjz s TYR 77 N 2.20 3.30 -0.23 2.82 6.14 0.88 -1.26 117.35 131.20 1pjz s TYR 77 Ca 0.06 -1.37 -0.08 0.00 0.64 0.00 0.00 57.07 56.31 1pjz s TYR 77 Cb -0.16 -3.52 -0.04 0.00 0.42 0.00 0.00 41.96 38.67 1pjz s TYR 77 CO -0.20 -0.95 0.10 0.00 0.64 0.00 0.00 175.55 175.14 1pjz s ALA 78 N 1.54 3.35 0.32 3.97 0.00 -0.51 -1.27 121.76 129.15 1pjz s ALA 78 Ca 0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 1pjz s ALA 78 Cb -0.27 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1pjz s ALA 78 CO 0.03 -0.24 0.56 0.00 0.00 0.00 0.00 175.76 176.11 1pjz s ALA 79 N 1.15 3.64 -0.99 0.00 0.00 -1.25 -0.78 121.76 123.54 1pjz s ALA 79 Ca 0.05 -0.67 -0.23 0.00 0.00 0.00 0.00 51.96 51.11 1pjz s ALA 79 Cb -0.14 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.73 1pjz s ALA 79 CO 0.04 0.13 1.71 -1.25 0.00 0.00 0.00 175.76 176.39 1pjz s PRO 80 N -3.85 3.10 0.00 0.00 0.04 -1.26 -3.57 135.00 129.46 1pjz s PRO 80 Ca 0.43 -0.80 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1pjz s PRO 80 Cb -0.10 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1pjz s PRO 80 CO 0.33 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 174.97 1pjz n GLY 81 N 6.75 0.13 4.01 0.56 0.00 -1.26 -5.13 105.19 110.25 1pjz n GLY 81 Ca 0.38 0.19 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 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 2.74 -0.66 -0.61 -1.16 -1.23 -5.03 121.20 115.25 1pjz s ILE 82 Ca 0.00 -0.95 0.01 0.00 -0.51 0.00 0.00 60.65 59.20 1pjz s ILE 82 Cb 0.00 -2.79 0.38 0.00 0.61 0.00 0.00 42.46 40.66 1pjz s ILE 82 CO 0.00 0.00 1.57 1.21 -2.81 0.00 0.00 174.94 174.91 1pjz n GLU 83 N -2.02 3.14 -3.77 3.50 2.13 -0.19 -4.24 120.64 119.18 1pjz n GLU 83 Ca 0.10 -4.04 -0.36 0.00 0.66 0.00 0.00 57.16 53.52 1pjz n GLU 83 Cb 0.60 -2.26 -0.13 0.00 0.27 0.00 0.00 31.44 29.92 1pjz n GLU 83 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1pjz s ILE 84 N -5.27 4.17 -0.34 6.31 -1.09 -1.25 -0.73 121.20 123.00 1pjz s ILE 84 Ca 0.50 -0.26 -0.07 0.00 -2.23 0.00 0.00 60.65 58.60 1pjz s ILE 84 Cb 0.41 -2.96 0.04 0.00 -1.58 0.00 0.00 42.46 38.37 1pjz s ILE 84 CO -0.30 0.33 0.11 -1.66 -1.23 0.00 0.00 174.94 172.19 1pjz s TRP 85 N 1.59 3.26 0.31 3.97 1.48 -0.36 -3.39 118.94 125.80 1pjz s TRP 85 Ca 0.06 -1.43 -0.28 0.00 -1.06 0.00 0.00 56.10 53.39 1pjz s TRP 85 Cb -0.15 -2.32 -0.09 0.00 -1.16 0.00 0.00 33.47 29.75 1pjz s TRP 85 CO 0.03 -0.74 1.07 0.00 -4.06 0.00 0.00 176.95 173.25 1pjz n GLY 87 N 0.95 1.13 3.20 0.00 0.00 0.15 -0.08 105.19 110.55 1pjz n GLY 87 Ca 0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 1.17 -0.03 1.61 2.15 -0.25 0.31 116.67 117.62 1pjz s ASP 88 Ca 0.00 -1.08 0.00 0.00 0.43 0.00 0.00 52.55 51.91 1pjz s ASP 88 Cb 0.00 0.11 0.03 0.00 -0.30 0.00 0.00 42.92 42.75 1pjz s ASP 88 CO 0.00 -0.51 0.00 0.12 -0.17 0.00 0.00 175.17 174.61 1pjz s PHE 89 N -3.64 0.35 0.00 -5.34 2.19 -1.26 -4.52 117.98 105.76 1pjz s PHE 89 Ca 0.17 -0.01 0.00 0.00 0.33 0.00 0.00 56.93 57.42 1pjz s PHE 89 Cb 0.05 -0.45 0.00 0.00 -1.31 0.00 0.00 43.02 41.31 1pjz s PHE 89 CO -0.01 -0.15 0.00 1.97 1.83 0.00 0.00 175.22 178.86 1pjz n PHE 90 N 4.24 0.00 -2.76 10.12 -1.74 -1.26 -5.02 117.46 121.05 1pjz n PHE 90 Ca -0.24 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.30 1pjz n PHE 90 Cb 0.50 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.50 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1pjz n ALA 91 N 0.00 5.45 0.00 1.98 0.00 -1.26 -4.34 120.51 122.33 1pjz n ALA 91 Ca 0.00 -4.64 0.00 0.00 0.00 0.00 0.00 53.44 48.80 1pjz n ALA 91 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 -0.16 0.00 -2.10 0.00 -0.00 -1.26 -5.11 117.00 108.37 1pjz n LEU 92 Ca 0.40 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.41 1pjz n LEU 92 Cb 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.74 1pjz n LEU 92 CO 0.44 0.00 -0.25 0.41 -0.00 0.00 0.00 177.39 177.98 1pjz n THR 93 N -0.45 -7.06 0.14 1.47 -1.04 -1.26 -4.51 114.28 101.58 1pjz n THR 93 Ca 0.00 0.96 0.09 0.00 -2.04 0.00 0.00 64.05 63.06 1pjz n THR 93 Cb 0.00 -5.42 0.49 0.00 -1.82 0.00 0.00 70.33 63.58 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 0.39 0.97 0.04 2.41 0.00 -1.14 -0.78 120.51 122.40 1pjz n ALA 94 Ca -0.02 0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.38 1pjz n ALA 94 Cb 0.03 -1.20 -0.14 0.00 0.00 0.00 0.00 19.45 18.13 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 0.31 -0.36 0.00 0.11 0.18 0.43 114.38 115.04 1pjz h ARG 95 Ca 0.00 -0.52 -0.01 0.00 0.10 0.00 0.00 59.98 59.55 1pjz h ARG 95 Cb 0.09 0.20 -0.02 0.00 1.11 0.00 0.00 29.97 31.35 1pjz h ARG 95 CO 0.00 1.25 0.19 0.22 0.10 0.00 0.00 179.97 181.73 1pjz h ASP 96 N -0.26 0.46 0.01 0.08 1.82 -1.21 0.29 116.42 117.61 1pjz h ASP 96 Ca -0.24 -0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.30 1pjz h ASP 96 Cb 1.78 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.67 1pjz h ASP 96 CO 0.12 0.43 -0.00 0.16 -1.61 0.00 0.00 179.24 178.34 1pjz h ILE 97 N 0.46 1.56 0.00 2.25 3.07 -1.50 -3.39 117.51 119.96 1pjz h ILE 97 Ca 0.13 -2.06 0.00 0.00 1.55 0.00 0.00 64.86 64.48 1pjz h ILE 97 Cb 0.08 2.89 0.00 0.00 -0.27 0.00 0.00 36.82 39.52 1pjz h ILE 97 CO -0.02 0.51 0.00 0.61 -1.05 0.00 0.00 178.15 178.20 1pjz n GLY 98 N 1.45 -2.82 5.22 0.16 0.00 0.15 -4.63 105.19 104.72 1pjz n GLY 98 Ca -0.09 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1pjz n GLY 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1pjz n HIS 99 N -1.86 0.00 -3.76 1.61 -0.00 0.10 -4.15 115.22 107.16 1pjz n HIS 99 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 1pjz n HIS 99 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 29.85 1pjz n HIS 99 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1pjz n ALA 101 N 3.96 0.00 -3.74 0.00 0.00 -0.18 -1.77 120.51 118.78 1pjz n ALA 101 Ca -0.23 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.26 1pjz n ALA 101 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.53 -2.14 -3.62 0.00 0.00 -0.68 0.20 120.51 113.74 1pjz n ALA 102 Ca 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 53.44 52.49 1pjz n ALA 102 Cb 0.00 0.55 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.80 -0.99 -0.38 0.00 -0.71 -0.32 -1.10 117.98 111.68 1pjz s PHE 103 Ca 0.18 1.88 -0.19 0.00 -1.04 0.00 0.00 56.93 57.76 1pjz s PHE 103 Cb -0.03 0.59 0.01 0.00 -1.21 0.00 0.00 43.02 42.38 1pjz s PHE 103 CO 0.06 -0.49 0.55 -0.47 -1.34 0.00 0.00 175.22 173.53 1pjz s TYR 104 N 1.91 3.15 -0.16 3.49 5.04 0.59 -0.97 117.35 130.41 1pjz s TYR 104 Ca -0.08 0.09 -0.10 0.00 -2.44 0.00 0.00 57.07 54.54 1pjz s TYR 104 Cb -0.06 -3.04 -0.05 0.00 0.35 0.00 0.00 41.96 39.16 1pjz s TYR 104 CO -0.18 -0.64 0.17 0.34 -1.34 0.00 0.00 175.55 173.89 1pjz s ASP 105 N 1.82 6.34 0.53 4.32 -1.08 0.11 -3.72 116.67 125.00 1pjz s ASP 105 Ca 0.20 0.39 0.04 0.00 -0.52 0.00 0.00 52.55 52.66 1pjz s ASP 105 Cb -0.15 -2.10 0.05 0.00 -1.46 0.00 0.00 42.92 39.25 1pjz s ASP 105 CO 0.15 0.26 0.74 -0.60 0.52 0.00 0.00 175.17 176.24 1pjz s ARG 106 N -0.21 2.49 -0.75 4.34 3.52 -1.26 -0.28 118.95 126.80 1pjz s ARG 106 Ca 0.12 -1.09 -0.26 0.00 -0.13 0.00 0.00 55.73 54.38 1pjz s ARG 106 Cb -0.12 -2.57 -0.05 0.00 -1.56 0.00 0.00 34.95 30.64 1pjz s ARG 106 CO 0.02 -0.69 2.03 0.00 -0.81 0.00 0.00 175.30 175.85 1pjz s ALA 107 N -2.67 1.69 0.00 6.12 0.00 0.13 -4.45 121.76 122.59 1pjz s ALA 107 Ca 0.58 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1pjz s ALA 107 Cb -0.09 -4.45 0.00 0.00 0.00 0.00 0.00 23.12 18.58 1pjz s ALA 107 CO 0.38 -4.63 0.00 0.00 0.00 0.00 0.00 175.76 171.51 1pjz n ALA 108 N 14.42 1.95 -0.18 0.00 0.00 -1.26 -4.72 120.51 130.72 1pjz n ALA 108 Ca 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.74 1pjz n ALA 108 Cb 0.49 0.32 0.15 0.00 0.00 0.00 0.00 19.45 20.41 1pjz n ALA 108 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1pjz h MET 109 N 0.00 0.94 0.00 0.00 2.86 -1.93 -0.52 114.93 116.28 1pjz h MET 109 Ca 0.00 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1pjz h MET 109 Cb 0.69 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1pjz h MET 109 CO 0.00 0.82 0.00 0.44 1.06 0.00 0.00 176.91 179.23 1pjz n ILE 110 N -4.27 1.24 1.12 -1.22 -5.35 -1.26 -0.34 119.36 109.27 1pjz n ILE 110 Ca 0.05 0.41 0.08 0.00 -0.27 0.00 0.00 62.75 63.01 1pjz n ILE 110 Cb 0.22 -1.32 0.27 0.00 -1.74 0.00 0.00 39.64 37.08 1pjz n ILE 110 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pjz n ALA 111 N -1.62 2.49 -2.20 -1.28 0.00 -0.20 0.94 120.51 118.64 1pjz n ALA 111 Ca 0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 53.44 52.81 1pjz n ALA 111 Cb 0.11 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 1pjz n ALA 111 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1pjz s LEU 112 N -1.29 1.54 0.00 0.00 2.34 0.53 -5.00 118.68 116.81 1pjz s LEU 112 Ca 0.27 -1.25 0.00 0.00 0.06 0.00 0.00 54.13 53.22 1pjz s LEU 112 Cb 0.14 0.37 0.00 0.00 -0.56 0.00 0.00 46.19 46.15 1pjz s LEU 112 CO 0.21 -0.77 0.00 -0.81 -1.06 0.00 0.00 176.35 173.91 1pjz n PRO 113 N -0.15 1.38 0.01 1.48 -0.04 -1.26 -4.76 135.00 131.67 1pjz n PRO 113 Ca -0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.41 1pjz n PRO 113 Cb 0.64 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.10 1pjz n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pjz h ALA 114 N -2.00 -0.15 -0.79 0.55 0.00 -1.98 -2.10 119.26 112.80 1pjz h ALA 114 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1pjz h ALA 114 Cb 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 1pjz h ALA 114 CO 0.00 -0.14 -0.47 -3.47 0.00 0.00 0.00 179.25 175.18 1pjz n ASP 115 N -3.96 -0.84 -0.36 0.00 2.03 -1.26 0.11 116.55 112.28 1pjz n ASP 115 Ca -0.01 1.60 0.07 0.00 0.52 0.00 0.00 54.79 56.96 1pjz n ASP 115 Cb 0.04 -0.28 0.24 0.00 -0.72 0.00 0.00 41.12 40.40 1pjz n ASP 115 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1pjz h MET 116 N 0.00 0.97 0.24 -0.67 4.05 -1.95 0.13 114.93 117.71 1pjz h MET 116 Ca 0.13 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1pjz h MET 116 Cb 0.32 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 1pjz h MET 116 CO -0.74 0.65 -0.32 0.00 0.23 0.00 0.00 176.91 176.72 1pjz h ARG 117 N 1.00 -0.60 0.00 0.39 3.08 0.15 0.22 114.38 118.62 1pjz h ARG 117 Ca 0.49 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.56 1pjz h ARG 117 Cb 0.46 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1pjz h ARG 117 CO -0.25 -0.40 -0.09 0.93 -1.07 0.00 0.00 179.97 179.08 1pjz h GLU 118 N -0.62 0.00 0.29 0.04 5.08 0.12 0.39 114.58 119.87 1pjz h GLU 118 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1pjz h GLU 118 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1pjz h GLU 118 CO -0.11 0.09 -0.14 0.00 -1.00 0.00 0.00 179.01 177.85 1pjz h ARG 119 N 0.00 -0.38 -0.10 2.33 2.47 0.73 -1.27 114.38 118.17 1pjz h ARG 119 Ca -0.00 0.03 -0.17 0.00 -1.26 0.00 0.00 59.98 58.58 1pjz h ARG 119 Cb 0.35 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1pjz h ARG 119 CO 0.01 -0.04 -0.65 -0.92 0.56 0.00 0.00 179.97 178.94 1pjz h TYR 120 N -0.87 0.50 0.88 3.04 3.20 -0.45 -1.32 116.97 121.94 1pjz h TYR 120 Ca -0.04 -0.20 -0.04 0.00 3.14 0.00 0.00 58.73 61.59 1pjz h TYR 120 Cb 0.52 -0.08 0.01 0.00 1.54 0.00 0.00 36.73 38.71 1pjz h TYR 120 CO 0.04 0.92 -0.42 0.28 -1.64 0.00 0.00 178.16 177.34 1pjz h VAL 121 N 0.27 0.13 -0.12 1.81 2.07 -0.30 0.41 116.25 120.53 1pjz h VAL 121 Ca -0.01 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1pjz h VAL 121 Cb 1.20 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1pjz h VAL 121 CO 0.11 0.00 0.02 0.06 0.02 0.00 0.00 177.57 177.78 1pjz h GLN 122 N -1.19 0.07 -0.83 1.57 3.07 -1.28 0.91 115.11 117.42 1pjz h GLN 122 Ca -0.12 -0.00 0.12 0.00 0.09 0.00 0.00 58.65 58.74 1pjz h GLN 122 Cb 0.91 -0.01 -0.06 0.00 0.08 0.00 0.00 27.48 28.39 1pjz h GLN 122 CO 0.20 0.04 0.54 0.45 0.09 0.00 0.00 178.83 180.15 1pjz h HIS 123 N 0.07 0.76 0.33 0.06 3.86 -1.16 0.28 115.15 119.35 1pjz h HIS 123 Ca 0.05 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1pjz h HIS 123 Cb 0.05 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1pjz h HIS 123 CO -0.12 0.32 -0.16 1.25 0.86 0.00 0.00 177.93 180.08 1pjz h LEU 124 N 0.68 -0.37 -1.67 2.43 7.12 0.91 -0.91 115.31 123.49 1pjz h LEU 124 Ca 0.40 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.42 1pjz h LEU 124 Cb 0.61 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.83 1pjz h LEU 124 CO -0.16 -0.17 0.43 1.05 -0.13 0.00 0.00 178.44 179.46 1pjz h GLU 125 N -0.63 0.00 0.03 1.25 -0.00 -0.51 2.40 114.58 117.11 1pjz h GLU 125 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.31 1pjz h GLU 125 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.09 1pjz h GLU 125 CO 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 179.01 179.07 1pjz h ALA 126 N 1.13 -0.04 -0.00 1.06 0.00 -0.23 -3.26 119.26 117.91 1pjz h ALA 126 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1pjz h ALA 126 Cb 0.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1pjz h ALA 126 CO 0.00 -0.08 -0.11 1.47 0.00 0.00 0.00 179.25 180.53 1pjz n LEU 127 N -4.72 0.46 -4.37 0.00 -0.00 0.63 -4.89 117.00 104.10 1pjz n LEU 127 Ca -0.08 0.02 -0.29 0.00 -0.00 0.00 0.00 56.01 55.65 1pjz n LEU 127 Cb 0.34 -0.19 0.28 0.00 -0.00 0.00 0.00 43.42 43.86 1pjz n LEU 127 CO 0.27 0.09 0.44 -0.04 -0.00 0.00 0.00 177.39 178.15 1pjz s MET 128 N -2.48 -2.13 0.00 1.47 -1.94 0.78 0.18 119.30 115.17 1pjz s MET 128 Ca 0.29 0.50 0.00 0.00 -1.71 0.00 0.00 55.69 54.77 1pjz s MET 128 Cb 0.20 -1.44 0.00 0.00 2.01 0.00 0.00 34.83 35.60 1pjz s MET 128 CO 0.48 -4.44 0.00 -0.35 -0.01 0.00 0.00 175.02 170.70 1pjz n PRO 129 N -5.38 0.23 -0.13 2.03 -0.04 -1.23 -3.73 135.00 126.76 1pjz n PRO 129 Ca 0.07 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.26 1pjz n PRO 129 Cb 0.57 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.94 1pjz n PRO 129 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1pjz n GLN 130 N -0.64 0.56 -3.56 0.54 -0.06 -0.49 -4.87 117.38 108.85 1pjz n GLN 130 Ca 0.00 0.24 -0.29 0.00 -2.00 0.00 0.00 57.00 54.94 1pjz n GLN 130 Cb 0.00 -1.43 -0.14 0.00 -4.06 0.00 0.00 30.24 24.61 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1pjz s ALA 131 N -2.48 0.89 0.04 1.69 0.00 -0.68 -4.13 121.76 117.09 1pjz s ALA 131 Ca -0.36 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.05 1pjz s ALA 131 Cb 0.14 -1.49 0.02 0.00 0.00 0.00 0.00 23.12 21.79 1pjz s ALA 131 CO 0.46 -1.76 0.32 0.00 0.00 0.00 0.00 175.76 174.78 1pjz s SER 133 N -2.03 6.17 0.18 0.00 0.01 0.13 0.60 113.70 118.77 1pjz s SER 133 Ca -0.05 -0.95 -0.14 0.00 1.31 0.00 0.00 55.95 56.12 1pjz s SER 133 Cb -0.01 -2.21 -0.07 0.00 0.21 0.00 0.00 66.02 63.93 1pjz s SER 133 CO -0.03 -0.64 0.58 -0.83 0.41 0.00 0.00 173.24 172.73 1pjz s GLY 134 N 2.19 2.43 -0.20 3.44 0.00 0.16 -1.18 107.32 114.16 1pjz s GLY 134 Ca 0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.65 1pjz s GLY 134 CO 0.11 0.13 0.08 -2.27 0.00 0.00 0.00 173.10 171.14 1pjz s LEU 135 N -2.20 0.77 0.01 0.66 0.20 -0.14 0.27 118.68 118.25 1pjz s LEU 135 Ca 0.41 -0.83 -0.19 0.00 0.69 0.00 0.00 54.13 54.21 1pjz s LEU 135 Cb -0.14 -0.41 -0.06 0.00 -0.43 0.00 0.00 46.19 45.15 1pjz s LEU 135 CO 0.20 -0.35 0.56 -0.22 -0.29 0.00 0.00 176.35 176.24 1pjz s LEU 136 N 2.01 4.45 -0.47 -0.68 0.20 0.17 0.06 118.68 124.41 1pjz s LEU 136 Ca 0.02 1.14 0.03 0.00 0.69 0.00 0.00 54.13 56.02 1pjz s LEU 136 Cb -0.16 -2.86 0.12 0.00 -0.43 0.00 0.00 46.19 42.86 1pjz s LEU 136 CO -0.13 0.17 0.21 -0.63 -0.29 0.00 0.00 176.35 175.68 1pjz s ILE 137 N -0.51 2.65 0.48 6.68 -1.09 0.61 -1.26 121.20 128.77 1pjz s ILE 137 Ca 0.29 -2.91 0.08 0.00 -2.23 0.00 0.00 60.65 55.88 1pjz s ILE 137 Cb -0.18 -2.86 0.02 0.00 -1.58 0.00 0.00 42.46 37.86 1pjz s ILE 137 CO 0.17 -0.74 0.50 0.42 -1.23 0.00 0.00 174.94 174.06 1pjz s THR 138 N 0.19 2.34 0.33 2.92 -4.23 0.20 -0.69 115.64 116.70 1pjz s THR 138 Ca 0.15 -1.26 0.05 0.00 -1.18 0.00 0.00 61.69 59.45 1pjz s THR 138 Cb -0.23 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 1pjz s THR 138 CO -0.03 0.00 0.32 -0.76 -0.54 0.00 0.00 174.62 173.61 1pjz s LEU 139 N -4.31 1.58 0.00 4.79 1.02 -1.26 0.19 118.68 120.69 1pjz s LEU 139 Ca 0.49 -1.70 0.00 0.00 0.02 0.00 0.00 54.13 52.94 1pjz s LEU 139 Cb -0.04 0.77 0.00 0.00 0.02 0.00 0.00 46.19 46.93 1pjz s LEU 139 CO 0.29 -1.12 0.00 -0.62 0.02 0.00 0.00 176.35 174.92 1pjz n GLU 140 N -0.61 0.00 0.00 1.70 1.02 -0.03 -3.61 120.64 119.10 1pjz n GLU 140 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1pjz n GLU 140 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.04 1pjz n GLU 140 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1pjz n TYR 141 N -2.03 0.00 -0.78 -0.32 9.36 -1.25 -4.48 117.16 117.65 1pjz n TYR 141 Ca 0.00 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.97 1pjz n TYR 141 Cb 0.00 -0.16 -0.00 0.00 -0.63 0.00 0.00 39.34 38.55 1pjz n TYR 141 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1pjz n ASP 142 N -1.75 -1.68 0.00 2.98 5.75 -1.26 -4.65 116.55 115.94 1pjz n ASP 142 Ca 0.00 0.50 0.00 0.00 -0.01 0.00 0.00 54.79 55.28 1pjz n ASP 142 Cb 0.00 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.56 1pjz n ASP 142 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pjz n GLN 143 N 0.79 0.00 -2.59 0.11 10.64 -1.26 -4.16 117.38 120.92 1pjz n GLN 143 Ca 0.07 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.09 1pjz n GLN 143 Cb 0.23 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.64 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 3.96 0.00 2.61 0.00 -1.26 -4.31 120.51 121.51 1pjz n ALA 144 Ca 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 53.44 49.93 1pjz n ALA 144 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.27 0.00 -4.92 0.00 -0.00 -1.26 -5.15 117.00 105.40 1pjz n LEU 145 Ca 0.20 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.95 1pjz n LEU 145 Cb 0.77 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 44.23 1pjz n LEU 145 CO 0.28 0.00 0.55 -0.22 -0.00 0.00 0.00 177.39 178.00 1pjz s LEU 146 N 0.00 3.14 -0.27 1.47 0.20 -1.26 -4.81 118.68 117.15 1pjz s LEU 146 Ca 0.00 0.64 -0.28 0.00 0.69 0.00 0.00 54.13 55.17 1pjz s LEU 146 Cb 0.00 -3.43 -0.03 0.00 -0.43 0.00 0.00 46.19 42.30 1pjz s LEU 146 CO 0.00 -1.18 1.97 -1.83 -0.29 0.00 0.00 176.35 175.02 1pjz s GLU 147 N -5.04 3.28 0.48 1.98 4.04 -1.26 -4.59 118.70 117.59 1pjz s GLU 147 Ca 0.55 1.70 0.00 0.00 0.04 0.00 0.00 54.97 57.27 1pjz s GLU 147 Cb -0.11 -4.26 0.00 0.00 0.02 0.00 0.00 34.13 29.78 1pjz s GLU 147 CO 0.45 -1.93 0.00 0.41 -1.84 0.00 0.00 175.26 172.35 1pjz n GLY 148 N 5.53 -4.34 3.66 -3.83 0.00 -1.26 -4.79 105.19 100.15 1pjz n GLY 148 Ca 0.26 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1pjz n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pjz s PRO 149 N -4.28 4.21 0.11 1.61 0.04 -1.26 -4.68 135.00 130.76 1pjz s PRO 149 Ca 0.00 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1pjz s PRO 149 Cb 0.00 -3.78 -0.06 0.00 0.04 0.00 0.00 34.50 30.70 1pjz s PRO 149 CO 0.00 -0.74 1.15 -1.25 0.04 0.00 0.00 177.00 176.20 1pjz s PRO 150 N 3.56 4.51 0.00 0.56 0.04 -1.26 -4.52 135.00 137.88 1pjz s PRO 150 Ca 0.55 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1pjz s PRO 150 Cb -0.22 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1pjz s PRO 150 CO 0.15 -0.10 0.78 0.34 0.04 0.00 0.00 177.00 178.21 1pjz n PHE 151 N 3.19 0.00 -3.98 0.56 7.35 0.27 -4.86 117.46 119.99 1pjz n PHE 151 Ca 0.06 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.44 1pjz n PHE 151 Cb 0.46 -0.03 -0.04 0.00 0.35 0.00 0.00 39.48 40.23 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 -0.32 -1.04 -4.69 -2.13 3.41 -1.24 -4.63 113.62 102.99 1pjz n SER 152 Ca 0.00 -1.03 -0.58 0.00 -0.26 0.00 0.00 58.87 57.00 1pjz n SER 152 Cb 0.08 -1.25 -0.07 0.00 -0.26 0.00 0.00 64.21 62.70 1pjz n SER 152 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1pjz n VAL 153 N -4.02 0.20 -2.46 -3.33 3.14 -1.26 -4.86 118.33 105.74 1pjz n VAL 153 Ca -0.18 -0.04 -0.42 0.00 -2.96 0.00 0.00 64.34 60.74 1pjz n VAL 153 Cb 0.50 -1.01 -0.03 0.00 -1.06 0.00 0.00 33.84 32.24 1pjz n VAL 153 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1pjz s PRO 154 N 2.79 4.43 0.36 1.45 0.04 -1.26 -4.90 135.00 137.90 1pjz s PRO 154 Ca 0.96 1.72 0.17 0.00 0.04 0.00 0.00 61.00 63.90 1pjz s PRO 154 Cb -1.11 -3.40 1.18 0.00 0.04 0.00 0.00 34.50 31.21 1pjz s PRO 154 CO 0.64 -0.27 1.64 0.37 0.04 0.00 0.00 177.00 179.42 1pjz h GLN 155 N 6.93 0.23 -0.46 4.56 5.75 -1.97 2.08 115.11 132.23 1pjz h GLN 155 Ca -0.40 -0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.18 1pjz h GLN 155 Cb 1.20 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 1pjz h GLN 155 CO 0.82 0.15 0.32 0.00 -2.65 0.00 0.00 178.83 177.47 1pjz h THR 156 N 0.24 0.86 0.40 2.39 1.03 -1.97 0.95 112.91 116.80 1pjz h THR 156 Ca 0.76 -0.06 -0.02 0.00 -0.01 0.00 0.00 66.41 67.08 1pjz h THR 156 Cb 1.88 0.65 0.00 0.00 -1.07 0.00 0.00 68.15 69.62 1pjz h THR 156 CO -0.62 0.03 -0.19 -0.25 -0.01 0.00 0.00 175.52 174.49 1pjz h TRP 157 N 0.19 -0.49 -0.34 0.00 7.01 0.30 0.59 115.95 123.21 1pjz h TRP 157 Ca 0.22 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.30 1pjz h TRP 157 Cb 0.60 0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.81 1pjz h TRP 157 CO -0.00 -0.17 0.28 -0.07 -2.79 0.00 0.00 178.44 175.69 1pjz h LEU 158 N -0.86 0.00 0.00 0.65 3.38 -1.09 0.94 115.31 118.33 1pjz h LEU 158 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1pjz h LEU 158 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1pjz h LEU 158 CO 0.09 0.00 -0.55 -0.74 0.09 0.00 0.00 178.44 177.33 1pjz h HIS 159 N 0.00 0.00 0.09 1.13 2.76 -0.44 0.55 115.15 119.24 1pjz h HIS 159 Ca 0.16 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.04 1pjz h HIS 159 Cb 0.72 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 1pjz h HIS 159 CO 0.00 0.11 -1.47 0.07 -1.30 0.00 0.00 177.93 175.33 1pjz h ARG 160 N 0.00 0.19 0.00 5.26 0.11 0.63 -3.33 114.38 117.24 1pjz h ARG 160 Ca -0.01 -0.33 0.00 0.00 0.10 0.00 0.00 59.98 59.74 1pjz h ARG 160 Cb 1.09 0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1pjz h ARG 160 CO 0.01 1.04 -0.19 1.55 0.10 0.00 0.00 179.97 182.48 1pjz n VAL 161 N -3.40 0.88 0.00 0.08 3.14 0.16 -4.58 118.33 114.61 1pjz n VAL 161 Ca -0.14 0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1pjz n VAL 161 Cb 1.03 -1.59 0.00 0.00 -1.06 0.00 0.00 33.84 32.22 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 -3.35 0.00 -3.28 1.45 2.81 0.17 -4.14 117.12 110.78 1pjz n MET 162 Ca -0.03 0.00 -0.46 0.00 -1.81 0.00 0.00 57.70 55.40 1pjz n MET 162 Cb 0.10 -1.19 -0.04 0.00 -0.71 0.00 0.00 33.22 31.39 1pjz n MET 162 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pjz s SER 163 N -1.69 6.45 0.00 7.83 0.15 -0.04 -4.10 113.70 122.30 1pjz s SER 163 Ca 0.00 -2.15 0.00 0.00 0.70 0.00 0.00 55.95 54.50 1pjz s SER 163 Cb 0.00 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1pjz s SER 163 CO 0.00 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1pjz n GLY 164 N 4.72 -0.22 0.00 9.45 0.00 -1.26 -4.92 105.19 112.96 1pjz n GLY 164 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.59 1.61 3.02 -1.26 -5.10 115.26 109.94 1pjz n ASN 165 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 1pjz n ASN 165 Cb 0.00 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 1pjz n ASN 165 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 1pjz s TRP 166 N 0.00 -0.37 -0.69 3.10 -2.14 -1.26 -0.77 118.94 116.81 1pjz s TRP 166 Ca 0.00 0.68 -0.26 0.00 2.66 0.00 0.00 56.10 59.17 1pjz s TRP 166 Cb 0.00 -0.17 -0.00 0.00 -3.10 0.00 0.00 33.47 30.20 1pjz s TRP 166 CO 0.00 -0.45 1.64 -1.21 -2.66 0.00 0.00 176.95 174.27 1pjz s GLU 167 N 2.38 2.86 -0.04 3.25 2.02 -0.01 -4.51 118.70 124.66 1pjz s GLU 167 Ca 0.04 0.18 -0.22 0.00 0.02 0.00 0.00 54.97 54.99 1pjz s GLU 167 Cb -0.13 -4.38 -0.04 0.00 0.10 0.00 0.00 34.13 29.67 1pjz s GLU 167 CO -0.10 -2.53 0.65 0.08 0.02 0.00 0.00 175.26 173.38 1pjz s VAL 168 N 7.75 5.00 0.05 2.63 1.01 -1.23 -0.04 120.40 135.56 1pjz s VAL 168 Ca 0.55 1.35 0.08 0.00 0.00 0.00 0.00 61.98 63.96 1pjz s VAL 168 Cb -0.10 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1pjz s VAL 168 CO 0.16 0.31 -0.22 0.28 0.00 0.00 0.00 175.10 175.64 1pjz s THR 169 N 0.44 1.75 0.20 3.92 -1.32 0.89 -4.88 115.64 116.64 1pjz s THR 169 Ca 0.35 -1.25 -0.30 0.00 -1.21 0.00 0.00 61.69 59.28 1pjz s THR 169 Cb -0.18 -1.52 -0.09 0.00 -1.51 0.00 0.00 72.50 69.20 1pjz s THR 169 CO 0.17 0.22 1.35 -0.75 -2.21 0.00 0.00 174.62 173.40 1pjz s LYS 170 N -1.23 4.35 0.20 7.08 2.20 -1.26 -0.85 119.74 130.23 1pjz s LYS 170 Ca 0.08 2.12 -0.23 0.00 -0.36 0.00 0.00 55.97 57.58 1pjz s LYS 170 Cb -0.09 -3.18 0.05 0.00 -1.51 0.00 0.00 37.83 33.10 1pjz s LYS 170 CO 0.02 -0.31 0.69 0.54 -0.36 0.00 0.00 175.35 175.93 1pjz s VAL 171 N 0.19 0.00 0.00 4.02 0.11 0.30 -4.86 120.40 120.16 1pjz s VAL 171 Ca 0.58 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1pjz s VAL 171 Cb -0.38 -1.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.97 1pjz s VAL 171 CO 0.39 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.77 1pjz n GLY 172 N -0.41 0.55 0.00 6.54 0.00 -1.26 0.01 105.19 110.61 1pjz n GLY 172 Ca -0.10 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.83 3.85 -0.02 0.00 -0.20 -4.91 105.19 103.07 1pjz n GLY 173 Ca 0.00 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.53 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 2.31 0.00 1.61 1.03 -1.26 -0.72 119.66 120.63 1pjz s GLN 174 Ca 0.00 -1.86 0.00 0.00 0.04 0.00 0.00 55.36 53.54 1pjz s GLN 174 Cb 0.00 -2.11 0.00 0.00 0.03 0.00 0.00 33.01 30.93 1pjz s GLN 174 CO 0.00 -0.36 0.00 -3.47 -2.54 0.00 0.00 175.29 168.92 1pjz n ASP 175 N -1.54 -2.33 -3.76 12.60 -0.08 -1.17 -4.88 116.55 115.40 1pjz n ASP 175 Ca -0.01 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.96 1pjz n ASP 175 Cb 0.64 -1.02 -0.08 0.00 2.34 0.00 0.00 41.12 43.00 1pjz n ASP 175 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1pjz n THR 176 N -2.46 2.68 0.06 5.18 5.66 -1.19 -4.82 114.28 119.39 1pjz n THR 176 Ca 0.00 -5.20 -0.15 0.00 -3.05 0.00 0.00 64.05 55.65 1pjz n THR 176 Cb 0.08 -2.18 -0.14 0.00 -1.55 0.00 0.00 70.33 66.54 1pjz n THR 176 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1pjz h LEU 177 N 5.00 0.31 -0.79 1.09 7.12 -1.92 -3.31 115.31 122.82 1pjz h LEU 177 Ca 0.18 -0.41 0.04 0.00 0.13 0.00 0.00 57.88 57.82 1pjz h LEU 177 Cb 0.71 -0.10 -0.05 0.00 -0.53 0.00 0.00 40.66 40.69 1pjz h LEU 177 CO 0.87 1.33 0.50 1.12 -0.13 0.00 0.00 178.44 182.13 1pjz h HIS 178 N 0.05 0.93 -0.33 1.25 2.07 -1.93 -2.94 115.15 114.26 1pjz h HIS 178 Ca -0.19 0.03 0.03 0.00 -2.85 0.00 0.00 60.37 57.38 1pjz h HIS 178 Cb 1.97 -0.31 -0.05 0.00 2.57 0.00 0.00 27.41 31.60 1pjz h HIS 178 CO 0.05 0.53 -0.28 0.77 -3.07 0.00 0.00 177.93 175.93 1pjz h SER 179 N 0.96 -0.98 -2.86 3.10 0.02 -1.91 -3.36 113.55 108.52 1pjz h SER 179 Ca 0.32 0.14 -0.56 0.00 -0.84 0.00 0.00 61.79 60.85 1pjz h SER 179 Cb 0.04 0.42 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 1pjz h SER 179 CO -0.12 -0.16 0.91 -0.55 -1.14 0.00 0.00 176.83 175.77 1pjz s SER 180 N -4.02 6.89 0.13 3.07 0.15 -1.11 -4.10 113.70 114.72 1pjz s SER 180 Ca -0.06 1.87 -0.15 0.00 0.70 0.00 0.00 55.95 58.31 1pjz s SER 180 Cb 0.05 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1pjz s SER 180 CO 0.30 -0.77 1.63 0.00 1.20 0.00 0.00 173.24 175.60 1pjz h ALA 181 N 8.36 0.56 -0.97 5.45 0.00 -1.81 -2.61 119.26 128.24 1pjz h ALA 181 Ca -0.31 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 54.67 1pjz h ALA 181 Cb 1.13 -0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 1pjz h ALA 181 CO 0.95 0.24 0.50 0.00 0.00 0.00 0.00 179.25 180.94 1pjz h ARG 182 N 0.55 0.38 0.65 0.00 2.47 -1.91 0.36 114.38 116.88 1pjz h ARG 182 Ca 0.13 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.80 1pjz h ARG 182 Cb 0.32 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1pjz h ARG 182 CO 0.00 0.25 -0.36 0.78 0.56 0.00 0.00 179.97 181.21 1pjz h GLY 183 N 0.39 -1.05 -0.15 0.04 0.00 -1.71 -0.95 103.07 99.64 1pjz h GLY 183 Ca 0.66 0.42 0.27 0.00 0.00 0.00 0.00 47.33 48.67 1pjz h GLY 183 CO -0.56 -0.37 0.67 1.41 0.00 0.00 0.00 176.54 177.69 1pjz h LEU 184 N -0.93 0.43 0.33 3.11 3.38 -1.20 1.38 115.31 121.80 1pjz h LEU 184 Ca -0.09 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1pjz h LEU 184 Cb 0.73 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1pjz h LEU 184 CO 0.11 0.08 -0.19 0.50 0.09 0.00 0.00 178.44 179.03 1pjz h LYS 185 N 0.38 -0.48 -0.47 1.13 3.64 -0.45 -2.77 116.57 117.55 1pjz h LYS 185 Ca 0.60 0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.87 1pjz h LYS 185 Cb 1.54 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 1pjz h LYS 185 CO -0.29 -0.32 -0.25 0.00 -2.27 0.00 0.00 179.45 176.33 1pjz h ALA 186 N 0.17 0.66 -1.03 5.00 0.00 0.78 -3.49 119.26 121.35 1pjz h ALA 186 Ca -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1pjz h ALA 186 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pjz h ALA 186 CO 0.04 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.38 1pjz n GLY 187 N -0.06 0.29 0.01 0.00 0.00 0.44 -4.93 105.19 100.94 1pjz n GLY 187 Ca -0.00 -0.49 0.03 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.23 0.00 -2.35 0.99 4.32 -1.23 -4.97 117.00 113.54 1pjz n LEU 188 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.97 1pjz n LEU 188 Cb 0.05 0.04 -0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1pjz n LEU 188 CO 0.00 0.04 -0.01 -1.84 -1.22 0.00 0.00 177.39 174.36 1pjz n GLU 189 N -1.92 -2.59 0.00 3.23 0.28 -1.26 -4.53 120.64 113.84 1pjz n GLU 189 Ca -0.04 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1pjz n GLU 189 Cb 0.35 -3.89 0.00 0.00 1.43 0.00 0.00 31.44 29.34 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 -2.24 0.00 -3.73 3.44 5.12 -1.26 -4.96 116.66 113.03 1pjz n ARG 190 Ca 0.01 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.80 1pjz n ARG 190 Cb 0.43 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.65 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 0.81 -0.20 5.56 0.23 -1.26 -4.92 119.30 119.51 1pjz s MET 191 Ca 0.00 -0.39 -0.26 0.00 -1.03 0.00 0.00 55.69 54.01 1pjz s MET 191 Cb 0.00 0.35 -0.01 0.00 -1.53 0.00 0.00 34.83 33.64 1pjz s MET 191 CO 0.00 -0.25 0.86 -0.51 -2.03 0.00 0.00 175.02 173.08 1pjz s ASP 192 N -1.87 6.94 -0.26 -1.18 1.11 -1.26 -3.03 116.67 117.11 1pjz s ASP 192 Ca -0.07 1.16 -0.02 0.00 0.18 0.00 0.00 52.55 53.80 1pjz s ASP 192 Cb -0.02 -2.46 0.03 0.00 1.07 0.00 0.00 42.92 41.54 1pjz s ASP 192 CO -0.01 -0.47 -0.04 -0.70 1.18 0.00 0.00 175.17 175.13 1pjz s GLU 193 N 2.48 2.79 -0.25 8.23 2.12 0.10 -0.85 118.70 133.32 1pjz s GLU 193 Ca 0.38 -1.01 -0.11 0.00 0.36 0.00 0.00 54.97 54.59 1pjz s GLU 193 Cb -0.16 -3.06 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 1pjz s GLU 193 CO 0.10 -0.44 0.19 -1.01 -0.54 0.00 0.00 175.26 173.56 1pjz s HIS 194 N 1.33 3.28 0.11 5.30 3.76 0.13 -1.04 115.29 128.17 1pjz s HIS 194 Ca -0.01 0.22 0.07 0.00 -0.15 0.00 0.00 55.06 55.19 1pjz s HIS 194 Cb -0.17 -2.33 -0.04 0.00 1.11 0.00 0.00 32.58 31.14 1pjz s HIS 194 CO -0.03 -0.03 -0.08 0.08 -0.85 0.00 0.00 174.74 173.82 1pjz s VAL 195 N 1.36 3.45 -0.11 -0.90 1.01 0.10 0.58 120.40 125.89 1pjz s VAL 195 Ca 0.08 -1.27 -0.03 0.00 0.00 0.00 0.00 61.98 60.76 1pjz s VAL 195 Cb -0.15 -2.63 0.05 0.00 0.00 0.00 0.00 36.38 33.66 1pjz s VAL 195 CO 0.07 0.09 0.15 -0.31 0.00 0.00 0.00 175.10 175.10 1pjz s TYR 196 N -1.27 -0.14 -0.67 5.22 2.02 -0.39 -0.54 117.35 121.58 1pjz s TYR 196 Ca 0.22 0.44 -0.24 0.00 -0.37 0.00 0.00 57.07 57.12 1pjz s TYR 196 Cb -0.11 -0.34 0.05 0.00 -0.40 0.00 0.00 41.96 41.17 1pjz s TYR 196 CO 0.15 -0.33 1.08 0.54 -1.57 0.00 0.00 175.55 175.41 1pjz s VAL 197 N 2.27 4.11 -0.65 0.71 0.11 -0.03 -0.66 120.40 126.27 1pjz s VAL 197 Ca 0.04 0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.94 1pjz s VAL 197 Cb -0.13 -4.75 0.16 0.00 -1.53 0.00 0.00 36.38 30.12 1pjz s VAL 197 CO -0.07 -1.56 0.62 -0.76 -3.33 0.00 0.00 175.10 170.00 1pjz s LEU 198 N 4.67 6.27 -0.68 2.54 1.02 0.14 -0.07 118.68 132.57 1pjz s LEU 198 Ca 0.28 -2.05 -0.27 0.00 0.02 0.00 0.00 54.13 52.11 1pjz s LEU 198 Cb -0.13 -2.22 0.01 0.00 0.02 0.00 0.00 46.19 43.87 1pjz s LEU 198 CO 0.13 -0.80 1.46 -0.70 0.02 0.00 0.00 176.35 176.47 1pjz s GLU 199 N 1.27 3.04 -0.44 1.70 2.12 0.94 0.37 118.70 127.69 1pjz s GLU 199 Ca 0.09 0.08 -0.27 0.00 0.36 0.00 0.00 54.97 55.23 1pjz s GLU 199 Cb -0.23 -4.23 -0.03 0.00 0.26 0.00 0.00 34.13 29.90 1pjz s GLU 199 CO -0.01 -2.29 1.96 0.50 -0.54 0.00 0.00 175.26 174.88 1pjz s ARG 200 N 6.09 2.88 0.00 4.30 3.52 0.20 -0.83 118.95 135.11 1pjz s ARG 200 Ca 0.46 1.22 0.28 0.00 -0.13 0.00 0.00 55.73 57.56 1pjz s ARG 200 Cb -0.10 -4.34 1.67 0.00 -1.56 0.00 0.00 34.95 30.62 1pjz s ARG 200 CO 0.18 -2.40 2.01 1.33 -0.81 0.00 0.00 175.30 175.61