#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pjz n GLN 2 N 0.00 0.00 0.00 1.57 3.00 -1.26 -4.82 117.38 115.87 1pjz n GLN 2 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1pjz n GLN 2 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 30.24 29.10 1pjz n GLN 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1pjz n SER 3 N -1.58 0.00 -3.45 1.08 7.64 -1.26 -3.87 113.62 112.18 1pjz n SER 3 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1pjz n SER 3 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1pjz n SER 3 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1pjz s GLU 4 N 0.00 0.81 -0.53 1.43 -1.05 -1.26 -5.02 118.70 113.08 1pjz s GLU 4 Ca 0.00 -1.80 0.05 0.00 -0.15 0.00 0.00 54.97 53.07 1pjz s GLU 4 Cb 0.00 -1.46 0.18 0.00 -0.44 0.00 0.00 34.13 32.42 1pjz s GLU 4 CO 0.00 -1.30 0.44 1.55 0.95 0.00 0.00 175.26 176.90 1pjz n VAL 5 N 3.37 0.08 -2.46 1.83 3.14 -1.25 -4.85 118.33 118.19 1pjz n VAL 5 Ca 0.21 -4.11 0.00 0.00 -2.96 0.00 0.00 64.34 57.48 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 2.24 -5.19 -0.32 6.55 4.13 -1.17 -3.01 115.26 118.49 1pjz n ASN 6 Ca 0.26 0.43 0.16 0.00 1.68 0.00 0.00 54.58 57.11 1pjz n ASN 6 Cb 0.44 -1.17 0.31 0.00 -1.54 0.00 0.00 39.78 37.82 1pjz n ASN 6 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1pjz n LYS 7 N 1.43 -0.07 0.38 3.52 -0.00 -1.26 0.11 118.16 122.26 1pjz n LYS 7 Ca 0.00 1.37 -0.18 0.00 -0.00 0.00 0.00 58.31 59.50 1pjz n LYS 7 Cb 0.26 -2.22 -0.09 0.00 -0.00 0.00 0.00 35.03 32.98 1pjz n LYS 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1pjz h ASP 8 N 0.00 -0.78 -0.25 -5.58 3.32 -1.96 0.45 116.42 111.62 1pjz h ASP 8 Ca 0.60 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.70 1pjz h ASP 8 Cb 1.30 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 41.00 1pjz h ASP 8 CO -0.85 -0.55 -0.29 0.25 -1.72 0.00 0.00 179.24 176.08 1pjz h LEU 9 N -0.93 -0.98 -1.41 1.55 7.12 0.54 2.08 115.31 123.27 1pjz h LEU 9 Ca -0.09 0.13 0.17 0.00 0.13 0.00 0.00 57.88 58.21 1pjz h LEU 9 Cb 0.71 0.41 -0.07 0.00 -0.53 0.00 0.00 40.66 41.18 1pjz h LEU 9 CO 0.15 -0.20 0.57 -0.61 -0.13 0.00 0.00 178.44 178.23 1pjz h GLN 10 N -0.18 0.52 0.00 1.25 4.15 -0.86 0.41 115.11 120.40 1pjz h GLN 10 Ca 0.04 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1pjz h GLN 10 Cb 0.29 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1pjz h GLN 10 CO -0.33 0.35 0.00 0.94 -1.93 0.00 0.00 178.83 177.86 1pjz n GLN 11 N -4.54 0.00 -0.25 1.69 -0.06 0.16 -0.88 117.38 113.50 1pjz n GLN 11 Ca 0.18 0.26 -0.05 0.00 -2.00 0.00 0.00 57.00 55.39 1pjz n GLN 11 Cb 0.56 -1.01 0.01 0.00 -4.06 0.00 0.00 30.24 25.74 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 -1.03 0.02 3.69 0.05 0.32 0.15 116.97 120.17 1pjz h TYR 12 Ca 0.00 0.08 0.03 0.00 0.05 0.00 0.00 58.73 58.89 1pjz h TYR 12 Cb 0.00 0.55 -0.05 0.00 1.01 0.00 0.00 36.73 38.24 1pjz h TYR 12 CO 0.06 -0.39 -0.33 2.35 -1.05 0.00 0.00 178.16 178.80 1pjz h TRP 13 N -0.13 -0.89 -1.22 4.88 2.91 -0.31 2.02 115.95 123.20 1pjz h TRP 13 Ca 0.25 0.03 0.36 0.00 1.13 0.00 0.00 58.89 60.66 1pjz h TRP 13 Cb 0.56 0.39 -0.09 0.00 -0.51 0.00 0.00 29.16 29.51 1pjz h TRP 13 CO -0.71 -0.42 0.82 0.77 -1.03 0.00 0.00 178.44 177.87 1pjz h SER 14 N -0.49 0.26 0.00 2.65 0.02 0.11 0.17 113.55 116.27 1pjz h SER 14 Ca 0.06 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 1pjz h SER 14 Cb 0.57 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1pjz h SER 14 CO -0.26 -0.02 -0.44 0.28 -1.14 0.00 0.00 176.83 175.25 1pjz h SER 15 N 0.18 0.00 -0.61 3.07 0.02 0.18 -3.37 113.55 113.02 1pjz h SER 15 Ca 0.68 -0.58 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1pjz h SER 15 Cb 2.16 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 64.62 1pjz h SER 15 CO -0.25 1.04 -0.36 0.18 -1.14 0.00 0.00 176.83 176.30 1pjz n LEU 16 N -4.58 -0.65 -2.83 5.07 4.32 0.65 -4.84 117.00 114.15 1pjz n LEU 16 Ca -0.15 1.40 -0.12 0.00 -0.02 0.00 0.00 56.01 57.11 1pjz n LEU 16 Cb 0.44 -0.30 0.06 0.00 -1.62 0.00 0.00 43.42 42.01 1pjz n LEU 16 CO 0.21 -1.04 0.07 -3.20 -1.22 0.00 0.00 177.39 172.21 1pjz n ASN 17 N -4.39 -2.92 -4.75 -1.43 2.85 -0.29 -4.97 115.26 99.35 1pjz n ASN 17 Ca 0.01 -0.48 -0.33 0.00 -0.11 0.00 0.00 54.58 53.67 1pjz n ASN 17 Cb 0.16 -4.01 0.07 0.00 1.24 0.00 0.00 39.78 37.24 1pjz n ASN 17 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1pjz s VAL 18 N -3.28 2.91 0.14 3.44 0.11 -1.26 -4.86 120.40 117.60 1pjz s VAL 18 Ca 0.09 0.42 -0.17 0.00 -2.93 0.00 0.00 61.98 59.39 1pjz s VAL 18 Cb -0.01 -2.92 -0.10 0.00 -1.53 0.00 0.00 36.38 31.81 1pjz s VAL 18 CO 0.55 -0.27 0.29 0.55 -3.33 0.00 0.00 175.10 172.90 1pjz n VAL 19 N -2.67 1.15 -2.35 2.04 3.14 -1.26 -4.72 118.33 113.66 1pjz n VAL 19 Ca 0.11 -0.31 -0.43 0.00 -2.96 0.00 0.00 64.34 60.75 1pjz n VAL 19 Cb 0.52 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.27 1pjz n VAL 19 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1pjz s PRO 20 N -0.62 3.61 0.00 1.45 0.04 -1.26 -2.19 135.00 136.03 1pjz s PRO 20 Ca 0.39 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1pjz s PRO 20 Cb -0.56 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 29.97 1pjz s PRO 20 CO 0.35 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 176.28 1pjz n GLY 21 N 5.00 0.57 3.06 0.56 0.00 -1.08 -5.01 105.19 108.29 1pjz n GLY 21 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.36 -5.05 -2.60 4.61 0.00 -0.93 -2.82 120.51 112.36 1pjz n ALA 22 Ca 0.00 -0.64 -0.43 0.00 0.00 0.00 0.00 53.44 52.37 1pjz n ALA 22 Cb 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 1pjz n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pjz s ARG 23 N -2.13 4.34 -0.46 0.00 1.81 -0.71 -1.54 118.95 120.26 1pjz s ARG 23 Ca 0.43 1.47 -0.11 0.00 -1.72 0.00 0.00 55.73 55.80 1pjz s ARG 23 Cb -0.20 -3.60 0.10 0.00 -0.45 0.00 0.00 34.95 30.80 1pjz s ARG 23 CO 0.80 -0.48 0.34 0.08 -0.68 0.00 0.00 175.30 175.36 1pjz s VAL 24 N 2.58 4.48 0.01 3.52 1.01 0.72 -1.66 120.40 131.05 1pjz s VAL 24 Ca 0.49 -1.50 -0.19 0.00 0.00 0.00 0.00 61.98 60.79 1pjz s VAL 24 Cb -0.19 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1pjz s VAL 24 CO 0.15 -0.65 0.54 -0.22 0.00 0.00 0.00 175.10 174.91 1pjz s LEU 25 N 1.45 4.45 -0.35 3.92 1.98 -0.34 -0.68 118.68 129.12 1pjz s LEU 25 Ca 0.04 1.12 -0.01 0.00 -2.89 0.00 0.00 54.13 52.39 1pjz s LEU 25 Cb -0.25 -2.82 0.12 0.00 0.66 0.00 0.00 46.19 43.90 1pjz s LEU 25 CO 0.02 0.19 0.17 0.54 -1.89 0.00 0.00 176.35 175.38 1pjz s VAL 26 N -0.57 0.49 -0.09 1.68 0.11 -1.20 -0.65 120.40 120.17 1pjz s VAL 26 Ca 0.28 -1.59 -0.30 0.00 -2.93 0.00 0.00 61.98 57.45 1pjz s VAL 26 Cb -0.18 -1.37 -0.03 0.00 -1.53 0.00 0.00 36.38 33.28 1pjz s VAL 26 CO 0.16 -0.85 1.24 -2.16 -3.33 0.00 0.00 175.10 170.17 1pjz s PRO 27 N 1.28 4.30 -0.92 1.54 0.04 -1.25 -1.13 135.00 138.86 1pjz s PRO 27 Ca 0.14 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 1pjz s PRO 27 Cb -0.21 -3.64 0.11 0.00 0.04 0.00 0.00 34.50 30.81 1pjz s PRO 27 CO -0.13 -0.56 0.28 1.47 0.04 0.00 0.00 177.00 178.10 1pjz n LEU 28 N 5.75 -0.41 -0.00 -3.56 -0.00 -1.05 -4.43 117.00 113.30 1pjz n LEU 28 Ca 0.12 -0.62 0.01 0.00 -0.00 0.00 0.00 56.01 55.52 1pjz n LEU 28 Cb 0.45 -0.79 -0.01 0.00 -0.00 0.00 0.00 43.42 43.07 1pjz n LEU 28 CO 0.56 0.06 -0.27 0.00 -0.00 0.00 0.00 177.39 177.74 1pjz n GLY 30 N 1.71 -0.24 0.00 0.00 0.00 -1.14 -4.76 105.19 100.77 1pjz n GLY 30 Ca -0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1pjz n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pjz n LYS 31 N 3.65 0.00 0.00 1.61 5.02 -1.26 -4.93 118.16 122.26 1pjz n LYS 31 Ca 0.32 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1pjz n LYS 31 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.04 1pjz n LYS 31 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1pjz n SER 32 N 0.00 0.00 -0.03 4.39 7.64 -1.26 -4.98 113.62 119.38 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 0.02 -0.12 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.12 -0.61 1.43 7.50 -1.96 0.42 115.11 122.01 1pjz h GLN 33 Ca 0.00 -0.16 0.10 0.00 0.50 0.00 0.00 58.65 59.09 1pjz h GLN 33 Cb 0.00 0.05 -0.08 0.00 0.05 0.00 0.00 27.48 27.50 1pjz h GLN 33 CO 0.00 0.97 0.20 0.38 -1.50 0.00 0.00 178.83 178.88 1pjz h ASP 34 N -0.65 0.17 0.00 1.46 2.03 -1.93 0.45 116.42 117.95 1pjz h ASP 34 Ca -0.03 0.09 -0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1pjz h ASP 34 Cb 1.07 0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1pjz h ASP 34 CO 0.04 0.10 -0.00 0.00 -1.03 0.00 0.00 179.24 178.35 1pjz h MET 35 N 0.37 -0.00 -0.99 4.15 -0.00 -1.94 -1.36 114.93 115.15 1pjz h MET 35 Ca 0.31 0.00 0.25 0.00 -0.00 0.00 0.00 59.70 60.27 1pjz h MET 35 Cb 0.41 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 31.95 1pjz h MET 35 CO -0.33 0.81 0.67 1.03 -0.00 0.00 0.00 176.91 179.09 1pjz h SER 36 N -0.83 0.29 0.06 -0.10 0.87 0.19 0.48 113.55 114.51 1pjz h SER 36 Ca -0.00 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1pjz h SER 36 Cb 0.82 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1pjz h SER 36 CO 0.00 0.08 -0.03 -0.25 -0.53 0.00 0.00 176.83 176.10 1pjz h TRP 37 N 0.27 -0.08 -0.09 2.24 7.01 -0.13 0.24 115.95 125.41 1pjz h TRP 37 Ca 0.52 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.53 1pjz h TRP 37 Cb 1.53 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 28.60 1pjz h TRP 37 CO -0.00 0.36 -0.16 -0.07 -2.79 0.00 0.00 178.44 175.78 1pjz h LEU 38 N -0.97 -0.53 0.26 0.65 4.07 0.08 1.42 115.31 120.29 1pjz h LEU 38 Ca -0.01 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1pjz h LEU 38 Cb 0.47 0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1pjz h LEU 38 CO 0.01 -0.13 -0.12 -1.28 -1.08 0.00 0.00 178.44 175.84 1pjz h SER 39 N -0.14 -0.29 0.00 -0.43 0.87 -0.28 -0.33 113.55 112.95 1pjz h SER 39 Ca 0.02 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1pjz h SER 39 Cb 0.18 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1pjz h SER 39 CO -0.16 -0.19 0.30 1.23 -0.53 0.00 0.00 176.83 177.48 1pjz h GLY 40 N -0.36 0.00 0.69 5.77 0.00 -0.14 0.54 103.07 109.56 1pjz h GLY 40 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.97 1pjz h GLY 40 CO 0.06 0.00 -1.93 -0.18 0.00 0.00 0.00 176.54 174.49 1pjz n GLN 41 N -2.54 0.67 0.00 4.80 -0.06 0.48 -4.88 117.38 115.85 1pjz n GLN 41 Ca -0.02 0.23 0.00 0.00 -2.00 0.00 0.00 57.00 55.22 1pjz n GLN 41 Cb 0.34 -1.72 0.00 0.00 -4.06 0.00 0.00 30.24 24.80 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 1.72 0.41 3.17 1.69 0.00 0.19 -5.07 105.19 107.30 1pjz n GLY 42 Ca -0.24 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.09 0.95 -1.23 1.61 1.51 -1.01 -2.65 117.35 116.44 1pjz s TYR 43 Ca 0.00 -1.22 -0.15 0.00 -1.01 0.00 0.00 57.07 54.69 1pjz s TYR 43 Cb 0.00 -0.53 0.14 0.00 -0.11 0.00 0.00 41.96 41.47 1pjz s TYR 43 CO 0.00 -0.49 1.51 -1.58 -1.11 0.00 0.00 175.55 173.88 1pjz s HIS 44 N -4.01 3.31 -0.24 2.71 2.46 -0.59 -4.35 115.29 114.57 1pjz s HIS 44 Ca 0.26 -1.99 -0.29 0.00 0.47 0.00 0.00 55.06 53.51 1pjz s HIS 44 Cb 0.07 -4.43 -0.02 0.00 -0.13 0.00 0.00 32.58 28.08 1pjz s HIS 44 CO 0.03 -1.51 1.47 0.08 -2.47 0.00 0.00 174.74 172.35 1pjz s VAL 45 N 2.29 3.90 -0.24 0.89 1.01 -1.26 -0.20 120.40 126.78 1pjz s VAL 45 Ca 0.46 1.02 -0.02 0.00 0.00 0.00 0.00 61.98 63.44 1pjz s VAL 45 Cb -0.01 -3.89 0.12 0.00 0.00 0.00 0.00 36.38 32.60 1pjz s VAL 45 CO 0.02 -0.35 0.32 0.54 0.00 0.00 0.00 175.10 175.63 1pjz s VAL 46 N 4.74 -0.50 0.11 2.92 0.11 0.14 -1.00 120.40 126.93 1pjz s VAL 46 Ca 0.64 -0.17 -0.00 0.00 -2.93 0.00 0.00 61.98 59.53 1pjz s VAL 46 Cb -0.22 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 1pjz s VAL 46 CO 0.26 -0.21 0.15 0.61 -3.33 0.00 0.00 175.10 172.58 1pjz n GLY 47 N 5.34 2.91 3.35 6.54 0.00 0.12 -3.27 105.19 120.19 1pjz n GLY 47 Ca -0.04 -1.49 -0.18 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.01 1.93 -0.04 4.61 0.00 -0.29 -1.10 121.76 124.86 1pjz s ALA 48 Ca 0.10 -1.82 0.04 0.00 0.00 0.00 0.00 51.96 50.27 1pjz s ALA 48 Cb -0.00 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.63 1pjz s ALA 48 CO 0.07 -0.25 -0.14 -2.00 0.00 0.00 0.00 175.76 173.44 1pjz s GLU 49 N -3.86 1.53 -1.07 0.00 -6.30 -0.21 -2.51 118.70 106.28 1pjz s GLU 49 Ca 0.30 -0.49 -0.06 0.00 -2.50 0.00 0.00 54.97 52.22 1pjz s GLU 49 Cb 0.06 -1.34 0.29 0.00 0.00 0.00 0.00 34.13 33.14 1pjz s GLU 49 CO 0.10 0.18 1.26 1.28 0.02 0.00 0.00 175.26 178.10 1pjz n LEU 50 N 3.27 5.82 -3.70 2.70 7.99 -1.20 0.31 117.00 132.18 1pjz n LEU 50 Ca -0.19 -5.14 -0.11 0.00 -0.01 0.00 0.00 56.01 50.56 1pjz n LEU 50 Cb 0.53 -1.33 -0.10 0.00 -0.11 0.00 0.00 43.42 42.41 1pjz n LEU 50 CO 0.25 1.55 0.08 -0.55 -1.51 0.00 0.00 177.39 177.22 1pjz s SER 51 N -0.39 -0.52 -0.27 -1.43 0.15 0.10 -4.96 113.70 106.38 1pjz s SER 51 Ca 0.31 0.92 -0.15 0.00 0.70 0.00 0.00 55.95 57.73 1pjz s SER 51 Cb -0.02 0.83 -0.13 0.00 -1.71 0.00 0.00 66.02 64.99 1pjz s SER 51 CO 0.01 -0.18 -0.25 -0.62 1.20 0.00 0.00 173.24 173.39 1pjz n GLU 52 N 3.84 0.59 -0.15 5.44 1.02 -1.26 -3.40 120.64 126.72 1pjz n GLU 52 Ca -0.20 0.31 -0.07 0.00 -0.02 0.00 0.00 57.16 57.18 1pjz n GLU 52 Cb 0.56 -1.54 0.10 0.00 -0.02 0.00 0.00 31.44 30.54 1pjz n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pjz h ALA 53 N -0.87 0.96 -0.18 0.62 0.00 -1.99 -1.34 119.26 116.46 1pjz h ALA 53 Ca -0.64 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 53.85 1pjz h ALA 53 Cb 1.58 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1pjz h ALA 53 CO -0.38 0.62 -0.39 0.00 0.00 0.00 0.00 179.25 179.10 1pjz h ALA 54 N 1.12 0.99 0.10 0.00 0.00 -1.98 -1.04 119.26 118.45 1pjz h ALA 54 Ca 0.15 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1pjz h ALA 54 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pjz h ALA 54 CO 0.03 0.61 -0.05 0.28 0.00 0.00 0.00 179.25 180.13 1pjz h VAL 55 N 0.35 1.00 -0.71 0.00 2.07 -1.44 0.11 116.25 117.62 1pjz h VAL 55 Ca 0.03 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1pjz h VAL 55 Cb 0.84 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1pjz h VAL 55 CO 0.07 0.09 0.47 -0.33 0.02 0.00 0.00 177.57 177.89 1pjz h GLU 56 N -0.31 0.94 -0.59 1.57 4.39 -1.16 -0.94 114.58 118.49 1pjz h GLU 56 Ca -0.01 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1pjz h GLU 56 Cb 0.25 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1pjz h GLU 56 CO 0.02 0.62 0.27 -0.09 -1.16 0.00 0.00 179.01 178.68 1pjz h ARG 57 N 0.97 0.84 -0.43 2.33 9.65 -0.99 0.93 114.38 127.69 1pjz h ARG 57 Ca 0.26 -0.11 -0.07 0.00 -1.10 0.00 0.00 59.98 58.96 1pjz h ARG 57 Cb -0.11 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.30 1pjz h ARG 57 CO -0.06 0.66 -0.01 1.88 2.80 0.00 0.00 179.97 185.25 1pjz h TYR 58 N 0.84 0.83 0.00 2.20 -1.99 0.13 0.13 116.97 119.10 1pjz h TYR 58 Ca 0.21 -0.15 -0.08 0.00 2.00 0.00 0.00 58.73 60.71 1pjz h TYR 58 Cb 0.11 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 1pjz h TYR 58 CO 0.01 0.82 -0.36 0.74 -0.00 0.00 0.00 178.16 179.37 1pjz h PHE 59 N 0.60 0.00 0.16 4.88 0.04 -0.73 -0.68 116.94 121.21 1pjz h PHE 59 Ca 0.12 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.59 1pjz h PHE 59 Cb 0.50 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.68 1pjz h PHE 59 CO 0.04 0.36 -1.28 0.00 -0.60 0.00 0.00 178.31 176.83 1pjz h THR 60 N 0.00 1.30 -0.22 -1.55 1.03 -0.52 0.45 112.91 113.40 1pjz h THR 60 Ca -0.00 -2.53 -0.10 0.00 -0.01 0.00 0.00 66.41 63.77 1pjz h THR 60 Cb 0.87 2.84 -0.00 0.00 -1.07 0.00 0.00 68.15 70.79 1pjz h THR 60 CO 0.05 0.76 -0.25 -0.33 -0.01 0.00 0.00 175.52 175.74 1pjz h GLU 61 N 0.18 0.55 0.06 0.00 4.39 -0.67 -3.22 114.58 115.87 1pjz h GLU 61 Ca -0.21 -0.30 -0.26 0.00 0.34 0.00 0.00 59.36 58.93 1pjz h GLU 61 Cb 1.97 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 30.65 1pjz h GLU 61 CO 0.24 0.89 -1.10 0.00 -1.16 0.00 0.00 179.01 177.89 1pjz h ARG 62 N 0.23 0.47 -0.81 2.33 3.08 -1.22 -3.48 114.38 114.97 1pjz h ARG 62 Ca 0.03 -0.59 -0.01 0.00 0.07 0.00 0.00 59.98 59.48 1pjz h ARG 62 Cb 0.81 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1pjz h ARG 62 CO 0.06 1.23 -0.02 0.41 -1.07 0.00 0.00 179.97 180.58 1pjz n GLY 63 N 1.20 0.76 0.56 0.04 0.00 0.15 -4.85 105.19 103.05 1pjz n GLY 63 Ca -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.73 -1.48 0.00 1.61 1.02 -0.92 -5.03 120.64 115.11 1pjz n GLU 64 Ca -0.00 1.15 0.00 0.00 -0.02 0.00 0.00 57.16 58.28 1pjz n GLU 64 Cb 0.50 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 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 -1.88 0.00 -0.53 3.49 6.02 -1.26 -5.13 117.38 118.09 1pjz n GLN 65 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1pjz n GLN 65 Cb 0.17 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.51 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 -1.12 -2.99 -1.09 -0.04 -1.26 -4.98 135.00 123.52 1pjz n PRO 66 Ca 0.00 -0.68 -0.42 0.00 -0.04 0.00 0.00 63.50 62.36 1pjz n PRO 66 Cb 0.00 -0.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.88 3.11 -0.20 0.54 3.76 0.81 -4.91 115.29 116.53 1pjz s HIS 67 Ca 0.26 0.49 -0.10 0.00 -0.15 0.00 0.00 55.06 55.56 1pjz s HIS 67 Cb -0.02 -3.37 -0.05 0.00 1.11 0.00 0.00 32.58 30.25 1pjz s HIS 67 CO 0.19 -0.73 0.13 0.42 -0.85 0.00 0.00 174.74 173.89 1pjz s ILE 68 N 3.04 5.37 0.12 0.60 -1.09 -1.25 -1.21 121.20 126.78 1pjz s ILE 68 Ca 0.30 0.17 0.06 0.00 -2.23 0.00 0.00 60.65 58.96 1pjz s ILE 68 Cb -0.13 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1pjz s ILE 68 CO 0.17 0.45 -0.15 -0.89 -1.23 0.00 0.00 174.94 173.28 1pjz s THR 69 N 0.33 1.38 -0.16 2.92 2.01 0.12 -4.92 115.64 117.31 1pjz s THR 69 Ca 0.08 -1.65 -0.08 0.00 0.31 0.00 0.00 61.69 60.35 1pjz s THR 69 Cb -0.11 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1pjz s THR 69 CO -0.02 -0.34 0.12 -0.44 -0.69 0.00 0.00 174.62 173.26 1pjz s SER 70 N -2.30 6.17 -0.39 3.53 0.01 -1.26 0.16 113.70 119.62 1pjz s SER 70 Ca 0.07 0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.66 1pjz s SER 70 Cb -0.06 -2.04 0.16 0.00 0.21 0.00 0.00 66.02 64.28 1pjz s SER 70 CO 0.03 0.27 0.32 -1.10 0.41 0.00 0.00 173.24 173.17 1pjz s GLN 71 N -0.19 0.73 6.33 12.44 -1.52 0.46 -4.93 119.66 132.99 1pjz s GLN 71 Ca 0.10 -1.57 0.00 0.00 -1.95 0.00 0.00 55.36 51.94 1pjz s GLN 71 Cb -0.12 -1.19 0.00 0.00 -0.22 0.00 0.00 33.01 31.48 1pjz s GLN 71 CO 0.01 -1.29 0.00 0.41 -0.25 0.00 0.00 175.29 174.17 1pjz n GLY 72 N 3.51 2.61 2.01 3.09 0.00 -1.26 0.13 105.19 115.29 1pjz n GLY 72 Ca 0.20 0.31 -0.08 0.00 0.00 0.00 0.00 46.02 46.45 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 10.09 4.64 -3.88 1.61 9.92 -1.26 -4.93 116.55 132.74 1pjz n ASP 73 Ca 0.00 -3.21 -0.15 0.00 -0.53 0.00 0.00 54.79 50.90 1pjz n ASP 73 Cb 0.00 -0.75 -0.09 0.00 -0.64 0.00 0.00 41.12 39.64 1pjz n ASP 73 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1pjz s PHE 74 N -2.92 1.34 0.42 1.24 0.40 0.12 -4.99 117.98 113.60 1pjz s PHE 74 Ca 0.53 -1.46 0.03 0.00 -0.60 0.00 0.00 56.93 55.44 1pjz s PHE 74 Cb 0.43 -0.58 -0.03 0.00 0.51 0.00 0.00 43.02 43.35 1pjz s PHE 74 CO 0.13 -0.74 0.08 0.21 0.70 0.00 0.00 175.22 175.59 1pjz s LYS 75 N -3.88 1.95 -0.26 0.44 2.20 -1.26 -0.41 119.74 118.52 1pjz s LYS 75 Ca 0.39 -2.19 -0.03 0.00 -0.36 0.00 0.00 55.97 53.78 1pjz s LYS 75 Cb 0.05 -0.96 0.10 0.00 -1.51 0.00 0.00 37.83 35.51 1pjz s LYS 75 CO 0.18 -0.37 0.18 0.08 -0.36 0.00 0.00 175.35 175.05 1pjz s VAL 76 N -3.11 -0.18 -0.44 4.02 1.01 0.12 -1.03 120.40 120.79 1pjz s VAL 76 Ca 0.22 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 1pjz s VAL 76 Cb 0.04 -0.89 0.10 0.00 0.00 0.00 0.00 36.38 35.64 1pjz s VAL 76 CO 0.12 -0.54 0.28 -0.47 0.00 0.00 0.00 175.10 174.49 1pjz s TYR 77 N 2.20 3.44 -0.05 5.22 5.04 0.13 0.12 117.35 133.44 1pjz s TYR 77 Ca 0.08 -1.91 0.01 0.00 -2.44 0.00 0.00 57.07 52.81 1pjz s TYR 77 Cb -0.15 -3.25 -0.03 0.00 0.35 0.00 0.00 41.96 38.87 1pjz s TYR 77 CO -0.29 -0.95 -0.06 0.00 -1.34 0.00 0.00 175.55 172.91 1pjz s ALA 78 N 1.32 3.02 0.37 3.97 0.00 -0.35 -1.03 121.76 129.07 1pjz s ALA 78 Ca 0.05 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.17 1pjz s ALA 78 Cb -0.24 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 1pjz s ALA 78 CO -0.01 0.59 0.31 0.00 0.00 0.00 0.00 175.76 176.65 1pjz s ALA 79 N -0.88 3.90 -0.05 0.00 0.00 -1.08 -0.13 121.76 123.52 1pjz s ALA 79 Ca 0.14 -1.78 -0.25 0.00 0.00 0.00 0.00 51.96 50.07 1pjz s ALA 79 Cb -0.11 -1.04 -0.23 0.00 0.00 0.00 0.00 23.12 21.74 1pjz s ALA 79 CO 0.03 -0.09 1.06 -1.00 0.00 0.00 0.00 175.76 175.76 1pjz h PRO 80 N 1.19 0.14 0.33 0.00 0.13 -1.98 -3.35 132.00 128.46 1pjz h PRO 80 Ca -0.43 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 1pjz h PRO 80 Cb 1.26 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1pjz h PRO 80 CO 0.59 0.85 -0.21 0.78 -0.23 0.00 0.00 178.00 179.78 1pjz h GLY 81 N -0.52 -0.55 -4.24 1.56 0.00 -2.00 -3.43 103.07 93.90 1pjz h GLY 81 Ca -0.02 0.24 -0.68 0.00 0.00 0.00 0.00 47.33 46.87 1pjz h GLY 81 CO 0.04 -0.21 -0.78 -1.50 0.00 0.00 0.00 176.54 174.08 1pjz s ILE 82 N -6.10 2.99 -0.97 2.60 -1.16 -1.25 -4.94 121.20 112.37 1pjz s ILE 82 Ca -0.16 -1.35 -0.02 0.00 -0.51 0.00 0.00 60.65 58.60 1pjz s ILE 82 Cb 0.05 -2.35 0.26 0.00 0.61 0.00 0.00 42.46 41.03 1pjz s ILE 82 CO 0.64 0.16 2.09 -0.62 -2.81 0.00 0.00 174.94 174.41 1pjz n GLU 83 N 0.96 4.23 -3.75 3.50 4.71 -0.17 -2.62 120.64 127.49 1pjz n GLU 83 Ca -0.15 -3.87 -0.38 0.00 -0.01 0.00 0.00 57.16 52.75 1pjz n GLU 83 Cb 0.52 -2.41 -0.12 0.00 -1.01 0.00 0.00 31.44 28.42 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 -3.72 3.89 -0.55 -3.67 -1.09 -1.25 0.11 121.20 114.92 1pjz s ILE 84 Ca 0.48 -0.91 -0.16 0.00 -2.23 0.00 0.00 60.65 57.82 1pjz s ILE 84 Cb 0.28 -3.11 0.13 0.00 -1.58 0.00 0.00 42.46 38.19 1pjz s ILE 84 CO -0.21 -0.06 0.51 -1.66 -1.23 0.00 0.00 174.94 172.30 1pjz s TRP 85 N 1.45 3.27 0.30 3.97 1.48 -0.26 -3.52 118.94 125.64 1pjz s TRP 85 Ca 0.00 -1.32 -0.29 0.00 -1.06 0.00 0.00 56.10 53.43 1pjz s TRP 85 Cb -0.18 -3.80 -0.10 0.00 -1.16 0.00 0.00 33.47 28.23 1pjz s TRP 85 CO 0.03 -1.02 1.14 0.00 -4.06 0.00 0.00 176.95 173.03 1pjz n GLY 87 N 1.06 1.09 3.56 0.00 0.00 0.15 -0.70 105.19 110.35 1pjz n GLY 87 Ca -0.00 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 1pjz n GLY 87 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pjz s ASP 88 N -4.00 3.86 -0.38 1.61 -4.77 -0.20 -0.72 116.67 112.07 1pjz s ASP 88 Ca 0.00 -1.10 0.02 0.00 -3.30 0.00 0.00 52.55 48.16 1pjz s ASP 88 Cb 0.00 -0.41 0.11 0.00 -1.09 0.00 0.00 42.92 41.54 1pjz s ASP 88 CO 0.00 -0.17 0.14 0.12 0.70 0.00 0.00 175.17 175.96 1pjz s PHE 89 N -2.56 2.47 0.00 2.11 5.36 -1.26 -4.42 117.98 119.67 1pjz s PHE 89 Ca 0.33 -2.40 0.00 0.00 -0.96 0.00 0.00 56.93 53.89 1pjz s PHE 89 Cb 0.00 -2.19 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 1pjz s PHE 89 CO 0.17 -0.86 0.00 0.34 -1.46 0.00 0.00 175.22 173.42 1pjz n PHE 90 N 4.16 0.00 0.00 10.12 -0.00 -1.26 -5.03 117.46 125.45 1pjz n PHE 90 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 1pjz n PHE 90 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.87 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 1.13 -1.51 3.13 0.00 -1.26 -5.13 120.51 116.87 1pjz n ALA 91 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1pjz n ALA 91 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.74 0.00 -3.80 0.00 -0.00 -1.26 -5.04 117.00 105.16 1pjz n LEU 92 Ca 0.00 -0.86 -0.29 0.00 -0.00 0.00 0.00 56.01 54.86 1pjz n LEU 92 Cb 0.00 -0.61 -0.13 0.00 -0.00 0.00 0.00 43.42 42.68 1pjz n LEU 92 CO 0.00 -1.12 -0.18 -0.89 -0.00 0.00 0.00 177.39 175.20 1pjz s THR 93 N -2.69 2.03 -0.14 1.47 2.01 -1.26 -4.92 115.64 112.14 1pjz s THR 93 Ca 0.45 -3.22 0.11 0.00 0.31 0.00 0.00 61.69 59.35 1pjz s THR 93 Cb -0.01 -2.39 0.11 0.00 0.01 0.00 0.00 72.50 70.22 1pjz s THR 93 CO 0.32 -0.92 1.25 0.00 -0.69 0.00 0.00 174.62 174.57 1pjz n ALA 94 N 2.97 0.68 -0.06 7.40 0.00 -1.19 0.22 120.51 130.53 1pjz n ALA 94 Ca 0.12 0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.61 1pjz n ALA 94 Cb 0.35 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 1pjz n ALA 94 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1pjz h ARG 95 N 0.00 0.00 -0.23 0.00 2.43 0.51 0.41 114.38 117.50 1pjz h ARG 95 Ca 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1pjz h ARG 95 Cb 0.48 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1pjz h ARG 95 CO 0.00 0.34 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.14 1pjz h ASP 96 N -1.00 0.41 0.64 -3.80 3.32 -1.26 0.31 116.42 115.05 1pjz h ASP 96 Ca -0.01 -0.12 -0.27 0.00 0.02 0.00 0.00 57.03 56.64 1pjz h ASP 96 Cb 0.38 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 1pjz h ASP 96 CO -0.01 0.64 -1.27 0.16 -1.72 0.00 0.00 179.24 177.04 1pjz h ILE 97 N 0.37 1.46 0.00 0.35 -0.00 -0.37 -3.39 117.51 115.94 1pjz h ILE 97 Ca 0.06 -3.06 0.00 0.00 -0.00 0.00 0.00 64.86 61.86 1pjz h ILE 97 Cb 0.59 2.90 0.00 0.00 -0.00 0.00 0.00 36.82 40.31 1pjz h ILE 97 CO 0.04 0.89 0.00 0.61 -0.00 0.00 0.00 178.15 179.69 1pjz n GLY 98 N 1.53 -0.11 5.29 0.16 0.00 0.14 -4.68 105.19 107.53 1pjz n GLY 98 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.00 0.00 -3.78 1.61 8.25 0.11 -4.31 115.22 116.09 1pjz n HIS 99 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1pjz n HIS 99 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 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 2.27 0.00 -3.78 0.00 0.00 0.10 -1.74 120.51 117.36 1pjz n ALA 101 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.24 1pjz n ALA 101 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.63 0.01 0.00 0.00 -0.66 -0.05 121.76 118.42 1pjz s ALA 102 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 51.96 51.79 1pjz s ALA 102 Cb 0.00 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.81 1pjz s ALA 102 CO 0.00 -1.05 0.38 -0.59 0.00 0.00 0.00 175.76 174.50 1pjz s PHE 103 N -2.97 -0.24 -0.22 0.00 -0.12 -0.43 -1.19 117.98 112.80 1pjz s PHE 103 Ca 0.15 0.29 -0.02 0.00 -0.05 0.00 0.00 56.93 57.30 1pjz s PHE 103 Cb -0.02 0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.55 1pjz s PHE 103 CO 0.03 -0.48 -0.09 -0.47 -0.05 0.00 0.00 175.22 174.16 1pjz s TYR 104 N -1.84 2.97 -0.09 3.49 5.04 0.18 -0.30 117.35 126.79 1pjz s TYR 104 Ca -0.10 -1.41 -0.05 0.00 -2.44 0.00 0.00 57.07 53.07 1pjz s TYR 104 Cb -0.03 -2.03 -0.04 0.00 0.35 0.00 0.00 41.96 40.21 1pjz s TYR 104 CO 0.02 -0.70 0.11 0.34 -1.34 0.00 0.00 175.55 173.98 1pjz s ASP 105 N 1.36 6.10 0.45 4.32 -1.08 -0.33 -3.84 116.67 123.64 1pjz s ASP 105 Ca 0.03 0.37 0.07 0.00 -0.52 0.00 0.00 52.55 52.49 1pjz s ASP 105 Cb -0.15 -1.91 -0.02 0.00 -1.46 0.00 0.00 42.92 39.38 1pjz s ASP 105 CO -0.06 0.38 0.27 0.00 0.52 0.00 0.00 175.17 176.27 1pjz s ARG 106 N -1.15 2.30 -0.85 4.34 1.70 -1.26 -0.72 118.95 123.31 1pjz s ARG 106 Ca 0.17 -1.84 -0.26 0.00 -0.47 0.00 0.00 55.73 53.33 1pjz s ARG 106 Cb -0.12 -2.08 -0.14 0.00 -0.57 0.00 0.00 34.95 32.05 1pjz s ARG 106 CO 0.06 -0.26 2.32 0.00 -1.08 0.00 0.00 175.30 176.33 1pjz s ALA 107 N -2.62 0.78 0.00 7.88 0.00 -0.91 -4.37 121.76 122.52 1pjz s ALA 107 Ca 0.39 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1pjz s ALA 107 Cb 0.01 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.53 1pjz s ALA 107 CO 0.22 -5.92 0.00 0.00 0.00 0.00 0.00 175.76 170.06 1pjz n ALA 108 N 18.25 2.98 0.15 0.00 0.00 -1.26 -4.72 120.51 135.91 1pjz n ALA 108 Ca 0.45 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.92 1pjz n ALA 108 Cb 0.44 0.46 0.39 0.00 0.00 0.00 0.00 19.45 20.75 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 0.15 0.00 0.00 -0.00 -1.91 -0.85 114.93 112.32 1pjz h MET 109 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 1pjz h MET 109 Cb 0.93 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.51 1pjz h MET 109 CO 0.00 0.36 0.00 0.44 -0.00 0.00 0.00 176.91 177.71 1pjz n ILE 110 N -4.23 1.39 -0.05 -0.10 -0.00 -1.26 -2.74 119.36 112.36 1pjz n ILE 110 Ca -0.01 0.45 -0.03 0.00 -0.00 0.00 0.00 62.75 63.16 1pjz n ILE 110 Cb 0.30 -1.37 -0.01 0.00 -0.00 0.00 0.00 39.64 38.56 1pjz n ILE 110 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1pjz h ALA 111 N 2.17 0.00 -2.20 -1.28 0.00 -1.40 1.69 119.26 118.24 1pjz h ALA 111 Ca 0.00 -0.37 -0.45 0.00 0.00 0.00 0.00 54.91 54.08 1pjz h ALA 111 Cb 0.12 0.31 0.20 0.00 0.00 0.00 0.00 17.79 18.41 1pjz h ALA 111 CO 0.00 0.31 0.08 -0.48 0.00 0.00 0.00 179.25 179.15 1pjz s LEU 112 N -7.15 1.27 0.00 0.00 2.34 -1.11 -4.82 118.68 109.21 1pjz s LEU 112 Ca -0.09 1.56 0.00 0.00 0.06 0.00 0.00 54.13 55.66 1pjz s LEU 112 Cb 0.01 -3.59 0.00 0.00 -0.56 0.00 0.00 46.19 42.05 1pjz s LEU 112 CO 0.13 -3.84 0.00 -0.81 -1.06 0.00 0.00 176.35 170.77 1pjz n PRO 113 N -4.68 0.61 0.05 1.48 -0.04 -1.26 -4.73 135.00 126.43 1pjz n PRO 113 Ca 0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 1pjz n PRO 113 Cb 0.54 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.38 -0.67 0.55 0.00 -1.96 -1.15 119.26 113.66 1pjz h ALA 114 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1pjz h ALA 114 Cb 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 1pjz h ALA 114 CO 0.00 -0.36 -0.39 -0.25 0.00 0.00 0.00 179.25 178.24 1pjz n ASP 115 N -3.16 -0.71 -0.20 0.00 9.92 -1.26 0.39 116.55 121.54 1pjz n ASP 115 Ca -0.02 1.50 0.01 0.00 -0.53 0.00 0.00 54.79 55.74 1pjz n ASP 115 Cb 0.07 -0.31 0.11 0.00 -0.64 0.00 0.00 41.12 40.35 1pjz n ASP 115 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 1pjz h MET 116 N 0.00 0.26 -0.89 -1.24 4.05 -1.95 0.14 114.93 115.30 1pjz h MET 116 Ca 0.11 -0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.64 1pjz h MET 116 Cb 0.27 -0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 30.95 1pjz h MET 116 CO -0.63 0.17 0.57 0.00 0.23 0.00 0.00 176.91 177.25 1pjz h ARG 117 N 0.26 0.75 -0.08 0.39 3.08 0.12 0.47 114.38 119.37 1pjz h ARG 117 Ca 0.31 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 1pjz h ARG 117 Cb 0.46 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1pjz h ARG 117 CO -0.40 0.49 -0.00 0.93 -1.07 0.00 0.00 179.97 179.93 1pjz h GLU 118 N 0.77 0.14 0.00 0.04 5.08 0.26 -1.18 114.58 119.70 1pjz h GLU 118 Ca 0.43 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1pjz h GLU 118 Cb 0.59 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1pjz h GLU 118 CO -0.20 0.41 -0.01 0.07 -1.00 0.00 0.00 179.01 178.29 1pjz h ARG 119 N -0.15 0.00 0.05 2.33 -0.00 -0.11 -1.41 114.38 115.10 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 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.32 1pjz h ARG 119 CO 0.00 0.01 -0.03 -0.92 -0.00 0.00 0.00 179.97 179.03 1pjz h TYR 120 N 0.00 -0.07 -0.46 4.08 3.20 0.30 -1.06 116.97 122.96 1pjz h TYR 120 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1pjz h TYR 120 Cb 0.40 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1pjz h TYR 120 CO 0.00 0.55 0.21 -0.39 -1.64 0.00 0.00 178.16 176.89 1pjz h VAL 121 N -0.85 1.19 0.02 1.81 -1.51 -1.10 -0.67 116.25 115.14 1pjz h VAL 121 Ca -0.01 -0.54 -0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1pjz h VAL 121 Cb 0.65 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1pjz h VAL 121 CO 0.01 0.21 -0.01 0.06 -1.23 0.00 0.00 177.57 176.61 1pjz h GLN 122 N 0.59 -0.03 -0.99 5.19 3.07 -1.36 -0.07 115.11 121.51 1pjz h GLN 122 Ca 0.16 0.00 0.11 0.00 0.09 0.00 0.00 58.65 59.01 1pjz h GLN 122 Cb 0.13 0.01 -0.08 0.00 0.08 0.00 0.00 27.48 27.62 1pjz h GLN 122 CO -0.02 -0.00 0.63 0.45 0.09 0.00 0.00 178.83 179.98 1pjz h HIS 123 N -0.04 1.13 0.46 0.06 3.86 -0.97 0.30 115.15 119.94 1pjz h HIS 123 Ca -0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1pjz h HIS 123 Cb 0.03 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.14 1pjz h HIS 123 CO -0.07 0.48 -0.22 1.25 0.86 0.00 0.00 177.93 180.23 1pjz h LEU 124 N 1.02 -0.52 -1.82 2.43 6.46 -0.50 -1.03 115.31 121.34 1pjz h LEU 124 Ca 0.48 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.25 1pjz h LEU 124 Cb 0.43 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 1pjz h LEU 124 CO -0.24 -0.34 0.32 -0.33 -0.62 0.00 0.00 178.44 177.23 1pjz h GLU 125 N -0.67 0.00 0.27 1.25 4.39 -0.69 2.02 114.58 121.15 1pjz h GLU 125 Ca -0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1pjz h GLU 125 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1pjz h GLU 125 CO 0.10 0.00 -0.13 0.00 -1.16 0.00 0.00 179.01 177.82 1pjz h ALA 126 N 1.33 -0.37 -0.08 3.43 0.00 0.16 -3.23 119.26 120.49 1pjz h ALA 126 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pjz h ALA 126 Cb 0.64 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1pjz h ALA 126 CO 0.00 -0.38 0.00 1.47 0.00 0.00 0.00 179.25 180.34 1pjz n LEU 127 N -5.02 1.26 -4.47 0.00 -0.00 -0.23 -4.91 117.00 103.63 1pjz n LEU 127 Ca -0.07 -0.49 -0.30 0.00 -0.00 0.00 0.00 56.01 55.16 1pjz n LEU 127 Cb 0.22 -0.05 0.26 0.00 -0.00 0.00 0.00 43.42 43.85 1pjz n LEU 127 CO 0.19 0.24 0.53 -0.04 -0.00 0.00 0.00 177.39 178.31 1pjz s MET 128 N -1.90 -1.83 0.00 1.47 -1.94 0.67 0.32 119.30 116.09 1pjz s MET 128 Ca 0.35 0.11 0.00 0.00 -1.71 0.00 0.00 55.69 54.44 1pjz s MET 128 Cb 0.18 -1.51 0.00 0.00 2.01 0.00 0.00 34.83 35.51 1pjz s MET 128 CO 0.29 -4.15 0.00 -0.35 -0.01 0.00 0.00 175.02 170.80 1pjz n PRO 129 N -5.11 0.00 0.00 2.03 -0.04 -1.22 -3.52 135.00 127.14 1pjz n PRO 129 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1pjz n PRO 129 Cb 0.59 -0.05 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1pjz n PRO 129 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1pjz n GLN 130 N 0.00 0.00 -3.78 0.54 -0.06 -1.04 -4.62 117.38 108.42 1pjz n GLN 130 Ca 0.00 0.00 -0.28 0.00 -2.00 0.00 0.00 57.00 54.72 1pjz n GLN 130 Cb 0.00 0.00 -0.12 0.00 -4.06 0.00 0.00 30.24 26.06 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 0.00 3.04 0.17 1.69 0.00 -0.75 -3.14 121.76 122.77 1pjz s ALA 131 Ca 0.00 -3.31 -0.10 0.00 0.00 0.00 0.00 51.96 48.55 1pjz s ALA 131 Cb 0.00 -2.02 -0.00 0.00 0.00 0.00 0.00 23.12 21.10 1pjz s ALA 131 CO 0.00 -2.06 0.32 0.00 0.00 0.00 0.00 175.76 174.03 1pjz s SER 133 N -2.96 5.21 0.33 0.00 0.15 0.92 0.50 113.70 117.86 1pjz s SER 133 Ca 0.16 -1.29 -0.10 0.00 0.70 0.00 0.00 55.95 55.43 1pjz s SER 133 Cb 0.03 -1.83 -0.07 0.00 -1.71 0.00 0.00 66.02 62.44 1pjz s SER 133 CO -0.00 -0.34 0.67 -0.83 1.20 0.00 0.00 173.24 173.94 1pjz s GLY 134 N 1.45 2.05 -0.30 9.45 0.00 0.15 -1.31 107.32 118.81 1pjz s GLY 134 Ca -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 44.72 44.41 1pjz s GLY 134 CO 0.01 -0.10 0.13 -2.27 0.00 0.00 0.00 173.10 170.87 1pjz s LEU 135 N -3.43 0.75 0.09 0.66 0.20 0.59 -0.32 118.68 117.22 1pjz s LEU 135 Ca 0.49 -1.38 -0.27 0.00 0.69 0.00 0.00 54.13 53.66 1pjz s LEU 135 Cb -0.11 -0.41 -0.06 0.00 -0.43 0.00 0.00 46.19 45.19 1pjz s LEU 135 CO 0.27 -0.43 0.84 -0.22 -0.29 0.00 0.00 176.35 176.52 1pjz s LEU 136 N 1.99 4.49 -0.40 -0.68 2.96 0.23 -1.19 118.68 126.07 1pjz s LEU 136 Ca 0.10 1.61 0.02 0.00 -0.22 0.00 0.00 54.13 55.64 1pjz s LEU 136 Cb -0.17 -3.38 0.12 0.00 0.50 0.00 0.00 46.19 43.26 1pjz s LEU 136 CO -0.34 0.01 0.17 -0.63 -1.32 0.00 0.00 176.35 174.24 1pjz s ILE 137 N -0.18 1.74 0.45 6.68 1.09 0.10 -0.69 121.20 130.40 1pjz s ILE 137 Ca 0.41 -2.41 0.08 0.00 -1.10 0.00 0.00 60.65 57.64 1pjz s ILE 137 Cb -0.22 -2.25 0.01 0.00 -1.06 0.00 0.00 42.46 38.94 1pjz s ILE 137 CO 0.26 -0.76 0.51 0.42 -0.10 0.00 0.00 174.94 175.27 1pjz s THR 138 N 0.63 2.59 0.37 2.92 -4.23 0.17 -2.13 115.64 115.96 1pjz s THR 138 Ca 0.14 -1.19 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 1pjz s THR 138 Cb -0.22 -2.78 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 1pjz s THR 138 CO -0.07 0.00 0.10 -0.76 -0.54 0.00 0.00 174.62 173.35 1pjz s LEU 139 N -4.30 2.03 0.00 4.79 2.01 -1.26 0.31 118.68 122.26 1pjz s LEU 139 Ca 0.51 -1.55 0.00 0.00 0.01 0.00 0.00 54.13 53.10 1pjz s LEU 139 Cb -0.06 -0.20 0.00 0.00 0.01 0.00 0.00 46.19 45.94 1pjz s LEU 139 CO 0.31 -0.80 0.00 1.21 1.01 0.00 0.00 176.35 178.07 1pjz n GLU 140 N -0.80 0.00 0.00 1.70 2.13 0.40 -3.36 120.64 120.71 1pjz n GLU 140 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1pjz n GLU 140 Cb 0.66 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.37 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 -1.97 0.00 -0.74 4.31 4.19 -1.26 -4.51 117.16 117.19 1pjz n TYR 141 Ca 0.00 0.00 -0.26 0.00 3.31 0.00 0.00 57.90 60.95 1pjz n TYR 141 Cb 0.00 -0.33 -0.02 0.00 0.49 0.00 0.00 39.34 39.48 1pjz n TYR 141 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 1pjz n ASP 142 N -2.53 -0.54 0.00 2.98 5.68 -1.26 -4.62 116.55 116.27 1pjz n ASP 142 Ca 0.00 0.59 0.00 0.00 -0.50 0.00 0.00 54.79 54.88 1pjz n ASP 142 Cb 0.00 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.49 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 0.57 0.00 -2.48 0.11 -0.00 -1.26 -4.05 117.38 110.26 1pjz n GLN 143 Ca 0.10 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 56.88 1pjz n GLN 143 Cb 0.11 0.00 0.01 0.00 -0.00 0.00 0.00 30.24 30.36 1pjz n GLN 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pjz n ALA 144 N 0.00 4.61 0.00 2.61 0.00 -1.26 -4.35 120.51 122.12 1pjz n ALA 144 Ca 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 53.44 49.49 1pjz n ALA 144 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1pjz n ALA 144 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1pjz n LEU 145 N -0.42 0.00 -4.87 0.00 -0.00 -1.26 -5.14 117.00 105.31 1pjz n LEU 145 Ca 0.32 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 56.01 1pjz n LEU 145 Cb 0.74 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 44.10 1pjz n LEU 145 CO 0.32 0.00 0.30 -0.22 -0.00 0.00 0.00 177.39 177.79 1pjz s LEU 146 N 0.00 4.08 -0.44 1.47 0.20 -1.26 -4.80 118.68 117.92 1pjz s LEU 146 Ca 0.00 1.03 -0.27 0.00 0.69 0.00 0.00 54.13 55.58 1pjz s LEU 146 Cb 0.00 -3.83 -0.07 0.00 -0.43 0.00 0.00 46.19 41.86 1pjz s LEU 146 CO 0.00 -0.17 2.39 -0.62 -0.29 0.00 0.00 176.35 177.65 1pjz n GLU 147 N -0.46 1.20 -0.00 1.98 -0.58 -1.26 -4.46 120.64 117.06 1pjz n GLU 147 Ca 0.01 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1pjz n GLU 147 Cb 0.53 -3.39 0.00 0.00 -0.57 0.00 0.00 31.44 28.01 1pjz n GLU 147 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pjz n GLY 148 N 5.98 -3.07 3.62 0.62 0.00 -1.26 -4.87 105.19 106.21 1pjz n GLY 148 Ca 0.36 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 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 -5.51 3.81 0.08 1.61 0.04 -1.26 -4.68 135.00 129.09 1pjz s PRO 149 Ca 0.00 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 1pjz s PRO 149 Cb 0.00 -3.93 -0.06 0.00 0.04 0.00 0.00 34.50 30.55 1pjz s PRO 149 CO 0.00 -1.26 1.15 -1.25 0.04 0.00 0.00 177.00 175.68 1pjz s PRO 150 N 4.43 4.48 -0.03 0.56 0.04 -1.26 -4.58 135.00 138.64 1pjz s PRO 150 Ca 0.59 1.73 0.04 0.00 0.04 0.00 0.00 61.00 63.39 1pjz s PRO 150 Cb -0.17 -3.34 0.16 0.00 0.04 0.00 0.00 34.50 31.19 1pjz s PRO 150 CO 0.26 -0.16 0.89 0.34 0.04 0.00 0.00 177.00 178.37 1pjz n PHE 151 N 3.54 0.35 -3.94 0.56 -0.00 0.58 -4.86 117.46 113.69 1pjz n PHE 151 Ca 0.07 -0.13 -0.26 0.00 -0.00 0.00 0.00 57.45 57.13 1pjz n PHE 151 Cb 0.47 -0.12 -0.07 0.00 -0.00 0.00 0.00 39.48 39.76 1pjz n PHE 151 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1pjz n SER 152 N 0.07 0.35 -3.66 -2.13 3.41 -1.21 -4.52 113.62 105.92 1pjz n SER 152 Ca 0.06 -1.01 -0.52 0.00 -0.26 0.00 0.00 58.87 57.14 1pjz n SER 152 Cb 0.34 -1.25 -0.08 0.00 -0.26 0.00 0.00 64.21 62.96 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 -3.86 0.00 -2.48 -3.33 3.14 -1.26 -4.81 118.33 105.74 1pjz n VAL 153 Ca -0.24 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.72 1pjz n VAL 153 Cb 0.54 -0.39 -0.04 0.00 -1.06 0.00 0.00 33.84 32.89 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 2.84 4.52 0.24 1.45 0.04 -1.26 -4.93 135.00 137.91 1pjz s PRO 154 Ca 0.85 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 63.55 1pjz s PRO 154 Cb -1.18 -3.31 0.41 0.00 0.04 0.00 0.00 34.50 30.46 1pjz s PRO 154 CO 0.62 -0.06 1.63 0.37 0.04 0.00 0.00 177.00 179.60 1pjz h GLN 155 N 5.78 0.08 -0.91 4.56 4.15 -1.97 0.35 115.11 127.14 1pjz h GLN 155 Ca -0.43 -0.00 0.26 0.00 0.77 0.00 0.00 58.65 59.24 1pjz h GLN 155 Cb 1.21 -0.02 -0.15 0.00 0.21 0.00 0.00 27.48 28.73 1pjz h GLN 155 CO 0.76 0.05 0.22 0.00 -1.93 0.00 0.00 178.83 177.93 1pjz h THR 156 N 0.08 0.22 0.14 2.39 1.03 -1.97 0.68 112.91 115.49 1pjz h THR 156 Ca 0.40 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.75 1pjz h THR 156 Cb 0.69 0.06 -0.01 0.00 -1.07 0.00 0.00 68.15 67.82 1pjz h THR 156 CO -0.68 0.03 -0.13 -0.25 -0.01 0.00 0.00 175.52 174.47 1pjz h TRP 157 N 0.15 -0.35 -0.89 0.00 7.01 -0.69 0.62 115.95 121.81 1pjz h TRP 157 Ca 0.59 0.00 0.18 0.00 2.11 0.00 0.00 58.89 61.77 1pjz h TRP 157 Cb 1.25 0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 28.37 1pjz h TRP 157 CO -0.29 -0.21 0.58 -0.07 -2.79 0.00 0.00 178.44 175.67 1pjz h LEU 158 N -0.30 0.50 -0.05 0.65 4.07 0.48 1.35 115.31 122.01 1pjz h LEU 158 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1pjz h LEU 158 Cb 0.28 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1pjz h LEU 158 CO -0.03 0.22 0.00 -0.74 -1.08 0.00 0.00 178.44 176.81 1pjz h HIS 159 N 0.51 0.00 0.19 1.13 2.76 0.82 1.56 115.15 122.13 1pjz h HIS 159 Ca 0.46 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 58.30 1pjz h HIS 159 Cb 0.99 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.97 1pjz h HIS 159 CO -0.00 0.00 -1.56 0.07 -1.30 0.00 0.00 177.93 175.14 1pjz h ARG 160 N 0.00 0.41 0.00 5.26 0.11 0.72 -3.33 114.38 117.55 1pjz h ARG 160 Ca 0.00 -0.69 -0.04 0.00 0.10 0.00 0.00 59.98 59.35 1pjz h ARG 160 Cb 0.89 0.26 -0.01 0.00 1.11 0.00 0.00 29.97 32.22 1pjz h ARG 160 CO 0.00 1.31 -0.62 1.55 0.10 0.00 0.00 179.97 182.31 1pjz n VAL 161 N -3.60 1.07 0.00 0.08 3.14 0.14 -4.56 118.33 114.60 1pjz n VAL 161 Ca -0.19 0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1pjz n VAL 161 Cb 1.08 -1.75 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 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 -3.66 0.00 -3.15 1.45 2.81 0.51 -4.40 117.12 110.68 1pjz n MET 162 Ca -0.08 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.38 1pjz n MET 162 Cb 0.28 -1.20 -0.07 0.00 -0.71 0.00 0.00 33.22 31.53 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 -1.99 6.25 0.00 7.83 0.15 0.21 -4.21 113.70 121.93 1pjz s SER 163 Ca 0.00 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 55.93 1pjz s SER 163 Cb 0.00 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1pjz s SER 163 CO 0.00 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.21 1pjz n GLY 164 N 5.13 -0.44 0.00 9.45 0.00 -1.26 -4.95 105.19 113.12 1pjz n GLY 164 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.75 1.61 3.02 -1.26 -5.11 115.26 109.77 1pjz n ASN 165 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1pjz n ASN 165 Cb 0.00 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 1pjz n ASN 165 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 1pjz s TRP 166 N 0.00 -0.28 -0.59 3.10 -2.14 -1.26 -0.34 118.94 117.44 1pjz s TRP 166 Ca 0.00 0.67 -0.19 0.00 2.66 0.00 0.00 56.10 59.24 1pjz s TRP 166 Cb 0.00 0.04 0.09 0.00 -3.10 0.00 0.00 33.47 30.50 1pjz s TRP 166 CO 0.00 -0.18 0.72 -1.21 -2.66 0.00 0.00 176.95 173.62 1pjz s GLU 167 N 0.86 3.06 0.06 3.25 2.02 -0.34 -4.53 118.70 123.09 1pjz s GLU 167 Ca -0.06 -1.20 -0.31 0.00 0.02 0.00 0.00 54.97 53.43 1pjz s GLU 167 Cb -0.08 -4.24 -0.05 0.00 0.10 0.00 0.00 34.13 29.87 1pjz s GLU 167 CO -0.05 -1.52 1.17 0.14 0.02 0.00 0.00 175.26 175.02 1pjz s VAL 168 N 2.83 4.13 -0.00 2.63 -7.23 -1.25 -0.30 120.40 121.21 1pjz s VAL 168 Ca 0.13 1.53 0.08 0.00 -1.81 0.00 0.00 61.98 61.92 1pjz s VAL 168 Cb -0.23 -3.98 -0.02 0.00 0.56 0.00 0.00 36.38 32.71 1pjz s VAL 168 CO 0.08 0.12 -0.26 -0.89 -0.31 0.00 0.00 175.10 173.84 1pjz s THR 169 N 1.04 2.04 0.24 5.32 2.01 0.15 -4.89 115.64 121.54 1pjz s THR 169 Ca 0.58 -1.18 -0.31 0.00 0.31 0.00 0.00 61.69 61.09 1pjz s THR 169 Cb -0.28 -1.71 -0.12 0.00 0.01 0.00 0.00 72.50 70.39 1pjz s THR 169 CO 0.29 0.51 1.66 1.17 -0.69 0.00 0.00 174.62 177.56 1pjz n LYS 170 N 2.25 2.70 -3.93 4.92 0.00 -1.26 -0.54 118.16 122.29 1pjz n LYS 170 Ca -0.16 0.97 -0.08 0.00 0.00 0.00 0.00 58.31 59.04 1pjz n LYS 170 Cb 0.51 -2.78 -0.04 0.00 0.00 0.00 0.00 35.03 32.72 1pjz n LYS 170 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1pjz s VAL 171 N 0.70 0.00 0.06 3.15 1.01 0.16 -4.72 120.40 120.76 1pjz s VAL 171 Ca 0.71 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1pjz s VAL 171 Cb -0.52 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1pjz s VAL 171 CO 0.39 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1pjz n GLY 172 N -0.42 -1.37 0.00 4.51 0.00 -1.24 -0.45 105.19 106.22 1pjz n GLY 172 Ca -0.03 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.80 1.69 3.59 -0.02 0.00 0.11 -4.59 105.19 105.16 1pjz n GLY 173 Ca 0.00 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 4.95 1.94 -1.14 1.61 0.00 -1.26 0.32 119.66 126.09 1pjz s GLN 174 Ca 0.00 -2.17 0.00 0.00 -0.00 0.00 0.00 55.36 53.19 1pjz s GLN 174 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 33.01 31.93 1pjz s GLN 174 CO 0.00 -0.31 0.00 -0.25 0.00 0.00 0.00 175.29 174.73 1pjz n ASP 175 N -1.10 -4.65 -3.72 12.60 9.92 -1.25 -4.87 116.55 123.49 1pjz n ASP 175 Ca -0.09 0.26 -0.30 0.00 -0.53 0.00 0.00 54.79 54.13 1pjz n ASP 175 Cb 0.66 -3.09 -0.08 0.00 -0.64 0.00 0.00 41.12 37.98 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 -2.57 2.60 0.10 -3.53 5.66 -1.24 -4.83 114.28 110.46 1pjz n THR 176 Ca -0.11 -5.19 -0.18 0.00 -3.05 0.00 0.00 64.05 55.52 1pjz n THR 176 Cb 0.41 -2.17 -0.11 0.00 -1.55 0.00 0.00 70.33 66.91 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 4.91 0.62 -3.89 1.09 7.12 -1.92 -3.28 115.31 119.97 1pjz h LEU 177 Ca 0.18 -0.60 -0.26 0.00 0.13 0.00 0.00 57.88 57.33 1pjz h LEU 177 Cb 0.70 -0.20 -0.10 0.00 -0.53 0.00 0.00 40.66 40.54 1pjz h LEU 177 CO 0.86 1.43 0.03 1.41 -0.13 0.00 0.00 178.44 182.04 1pjz n HIS 178 N -3.68 0.69 0.00 1.25 -0.00 -1.26 -3.49 115.22 108.73 1pjz n HIS 178 Ca -0.10 -1.61 0.00 0.00 -0.00 0.00 0.00 57.72 56.01 1pjz n HIS 178 Cb 0.97 -1.24 0.00 0.00 -0.00 0.00 0.00 29.99 29.72 1pjz n HIS 178 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1pjz n SER 179 N 1.53 0.27 -4.60 0.41 2.88 -1.23 -4.74 113.62 108.13 1pjz n SER 179 Ca 0.35 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.49 1pjz n SER 179 Cb 0.69 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.07 1pjz n SER 179 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pjz s SER 180 N -4.01 6.34 0.39 -3.46 0.15 -1.23 -3.05 113.70 108.84 1pjz s SER 180 Ca 0.00 0.31 0.09 0.00 0.70 0.00 0.00 55.95 57.05 1pjz s SER 180 Cb 0.00 -2.25 0.84 0.00 -1.71 0.00 0.00 66.02 62.90 1pjz s SER 180 CO 0.00 -0.30 1.97 0.00 1.20 0.00 0.00 173.24 176.11 1pjz h ALA 181 N 8.17 1.80 0.00 5.45 0.00 -1.93 0.34 119.26 133.09 1pjz h ALA 181 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1pjz h ALA 181 Cb 1.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1pjz h ALA 181 CO 0.70 0.08 0.09 0.00 0.00 0.00 0.00 179.25 180.12 1pjz h ARG 182 N 0.63 0.00 -0.02 0.00 2.47 -1.94 0.21 114.38 115.72 1pjz h ARG 182 Ca 0.30 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.81 1pjz h ARG 182 Cb 0.34 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1pjz h ARG 182 CO -0.10 0.00 -0.80 0.78 0.56 0.00 0.00 179.97 180.42 1pjz h GLY 183 N 0.00 0.65 1.43 0.04 0.00 -0.60 -1.28 103.07 103.31 1pjz h GLY 183 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 47.33 46.24 1pjz h GLY 183 CO 0.00 0.96 -0.42 1.04 0.00 0.00 0.00 176.54 178.13 1pjz n LEU 184 N -4.04 0.73 -0.03 3.11 7.99 -0.09 0.53 117.00 125.19 1pjz n LEU 184 Ca -0.10 0.34 -0.16 0.00 -0.01 0.00 0.00 56.01 56.07 1pjz n LEU 184 Cb 0.76 -0.23 -0.13 0.00 -0.11 0.00 0.00 43.42 43.71 1pjz n LEU 184 CO 0.51 -0.09 0.25 0.50 -1.51 0.00 0.00 177.39 177.05 1pjz h LYS 185 N 0.00 0.10 0.00 3.23 1.63 -0.67 -3.36 116.57 117.50 1pjz h LYS 185 Ca 0.00 -0.17 -0.28 0.00 -0.85 0.00 0.00 60.65 59.36 1pjz h LYS 185 Cb 0.74 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.38 1pjz h LYS 185 CO 0.00 1.08 -1.66 0.00 -3.45 0.00 0.00 179.45 175.42 1pjz h ALA 186 N 0.01 0.76 -1.58 5.00 0.00 -1.33 -3.50 119.26 118.63 1pjz h ALA 186 Ca -0.06 -1.40 0.00 0.00 0.00 0.00 0.00 54.91 53.46 1pjz h ALA 186 Cb 1.22 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1pjz h ALA 186 CO 0.04 1.52 0.00 0.41 0.00 0.00 0.00 179.25 181.22 1pjz n GLY 187 N 1.53 0.34 0.12 0.00 0.00 0.19 -4.80 105.19 102.57 1pjz n GLY 187 Ca -0.16 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 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 0.37 0.94 0.99 -0.00 -0.28 -3.47 115.31 113.86 1pjz h LEU 188 Ca 0.00 -0.59 -0.19 0.00 -0.00 0.00 0.00 57.88 57.10 1pjz h LEU 188 Cb 0.53 -0.12 -0.08 0.00 -0.00 0.00 0.00 40.66 40.99 1pjz h LEU 188 CO 0.00 1.50 -0.17 -1.84 -0.00 0.00 0.00 178.44 177.93 1pjz n GLU 189 N -3.42 -1.27 0.00 1.13 0.28 -1.26 -4.53 120.64 111.57 1pjz n GLU 189 Ca -0.20 0.57 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 1pjz n GLU 189 Cb 1.05 -4.71 0.00 0.00 1.43 0.00 0.00 31.44 29.21 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 -1.53 0.00 -3.66 3.44 1.74 -1.26 -5.01 116.66 110.38 1pjz n ARG 190 Ca -0.09 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.86 1pjz n ARG 190 Cb 0.32 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.70 1pjz n ARG 190 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pjz s MET 191 N 0.00 0.94 -0.09 5.56 0.23 -1.26 -4.85 119.30 119.82 1pjz s MET 191 Ca 0.00 -0.39 -0.25 0.00 -1.03 0.00 0.00 55.69 54.02 1pjz s MET 191 Cb 0.00 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.69 1pjz s MET 191 CO 0.00 -0.33 0.80 -0.51 -2.03 0.00 0.00 175.02 172.96 1pjz s ASP 192 N -2.07 7.05 -0.26 -1.18 1.01 -1.26 -3.73 116.67 116.23 1pjz s ASP 192 Ca -0.05 1.28 0.01 0.00 0.71 0.00 0.00 52.55 54.51 1pjz s ASP 192 Cb -0.01 -2.46 0.05 0.00 1.01 0.00 0.00 42.92 41.52 1pjz s ASP 192 CO -0.03 -0.24 -0.09 -0.70 0.21 0.00 0.00 175.17 174.32 1pjz s GLU 193 N 1.30 2.41 -0.25 8.23 2.12 0.15 -0.45 118.70 132.21 1pjz s GLU 193 Ca 0.41 -1.25 -0.13 0.00 0.36 0.00 0.00 54.97 54.36 1pjz s GLU 193 Cb -0.18 -2.93 -0.05 0.00 0.26 0.00 0.00 34.13 31.24 1pjz s GLU 193 CO 0.18 -0.53 0.26 -1.01 -0.54 0.00 0.00 175.26 173.62 1pjz s HIS 194 N 1.17 3.29 0.30 5.30 3.76 0.15 0.09 115.29 129.34 1pjz s HIS 194 Ca -0.06 0.31 0.09 0.00 -0.15 0.00 0.00 55.06 55.25 1pjz s HIS 194 Cb -0.19 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 31.05 1pjz s HIS 194 CO -0.05 -0.07 0.05 0.08 -0.85 0.00 0.00 174.74 173.90 1pjz s VAL 195 N 1.50 3.24 -0.21 -0.90 1.01 0.41 0.41 120.40 125.85 1pjz s VAL 195 Ca 0.11 -1.84 -0.15 0.00 0.00 0.00 0.00 61.98 60.11 1pjz s VAL 195 Cb -0.15 -2.90 0.06 0.00 0.00 0.00 0.00 36.38 33.40 1pjz s VAL 195 CO 0.08 -0.29 0.54 -0.31 0.00 0.00 0.00 175.10 175.12 1pjz s TYR 196 N -2.38 -0.74 -0.50 5.22 2.02 0.14 0.37 117.35 121.48 1pjz s TYR 196 Ca 0.34 1.59 -0.19 0.00 -0.37 0.00 0.00 57.07 58.44 1pjz s TYR 196 Cb -0.04 0.35 0.06 0.00 -0.40 0.00 0.00 41.96 41.92 1pjz s TYR 196 CO 0.21 -0.38 0.63 0.08 -1.57 0.00 0.00 175.55 174.52 1pjz s VAL 197 N 1.09 4.86 -0.50 0.71 1.01 0.29 -0.60 120.40 127.26 1pjz s VAL 197 Ca -0.06 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 1pjz s VAL 197 Cb -0.06 -4.30 0.07 0.00 0.00 0.00 0.00 36.38 32.09 1pjz s VAL 197 CO -0.10 -0.81 0.55 -0.76 0.00 0.00 0.00 175.10 173.98 1pjz s LEU 198 N 2.67 5.29 -0.79 3.92 1.02 0.57 0.30 118.68 131.66 1pjz s LEU 198 Ca 0.16 -1.14 -0.26 0.00 0.02 0.00 0.00 54.13 52.91 1pjz s LEU 198 Cb -0.19 -2.33 0.01 0.00 0.02 0.00 0.00 46.19 43.70 1pjz s LEU 198 CO 0.12 -0.83 1.52 -1.61 0.02 0.00 0.00 176.35 175.58 1pjz s GLU 199 N 2.25 3.08 -0.64 1.70 2.02 0.59 0.31 118.70 128.01 1pjz s GLU 199 Ca 0.10 -0.24 -0.26 0.00 0.02 0.00 0.00 54.97 54.59 1pjz s GLU 199 Cb -0.22 -4.58 -0.05 0.00 0.10 0.00 0.00 34.13 29.39 1pjz s GLU 199 CO 0.09 -2.43 2.06 0.50 0.02 0.00 0.00 175.26 175.50 1pjz s ARG 200 N 6.02 2.40 0.00 1.61 3.52 0.18 -1.19 118.95 131.48 1pjz s ARG 200 Ca 0.49 0.65 0.31 0.00 -0.13 0.00 0.00 55.73 57.05 1pjz s ARG 200 Cb -0.07 -4.58 1.66 0.00 -1.56 0.00 0.00 34.95 30.40 1pjz s ARG 200 CO 0.09 -3.12 2.09 1.33 -0.81 0.00 0.00 175.30 174.89