#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 -4.39 0.17 -0.41 3.00 -1.26 -4.96 117.38 109.53 1pjz n GLN 2 Ca 0.00 0.86 -0.09 0.00 -0.01 0.00 0.00 57.00 57.76 1pjz n GLN 2 Cb 0.00 -5.84 -0.05 0.00 0.00 0.00 0.00 30.24 24.35 1pjz n GLN 2 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1pjz h SER 3 N -1.48 -0.42 -2.45 1.08 0.87 -2.02 -3.42 113.55 105.71 1pjz h SER 3 Ca -0.60 -0.04 -0.58 0.00 -1.23 0.00 0.00 61.79 59.35 1pjz h SER 3 Cb 1.32 0.11 -0.38 0.00 -0.44 0.00 0.00 62.40 63.01 1pjz h SER 3 CO 0.47 0.03 -0.91 -1.83 -0.53 0.00 0.00 176.83 174.05 1pjz s GLU 4 N -3.35 0.73 -0.53 2.24 -1.05 -1.26 -5.00 118.70 110.47 1pjz s GLU 4 Ca -0.09 -1.71 0.05 0.00 -0.15 0.00 0.00 54.97 53.08 1pjz s GLU 4 Cb 0.01 -1.33 0.18 0.00 -0.44 0.00 0.00 34.13 32.55 1pjz s GLU 4 CO 0.27 -1.30 0.44 1.55 0.95 0.00 0.00 175.26 177.18 1pjz n VAL 5 N 3.44 0.08 -2.31 1.83 3.14 -1.26 -4.76 118.33 118.49 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 0.43 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 31.31 1pjz n VAL 5 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1pjz n ASN 6 N 2.24 -5.12 -0.33 6.55 4.13 -1.26 -3.28 115.26 118.20 1pjz n ASN 6 Ca 0.26 0.50 0.25 0.00 1.68 0.00 0.00 54.58 57.26 1pjz n ASN 6 Cb 0.44 -1.11 0.48 0.00 -1.54 0.00 0.00 39.78 38.05 1pjz n ASN 6 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1pjz h LYS 7 N 3.57 0.19 -0.09 3.52 3.11 -1.94 1.10 116.57 126.02 1pjz h LYS 7 Ca 0.00 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 1pjz h LYS 7 Cb 0.34 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.52 1pjz h LYS 7 CO 0.00 0.12 0.04 0.38 -2.81 0.00 0.00 179.45 177.18 1pjz h ASP 8 N 0.19 0.13 0.08 4.20 3.04 -1.97 0.43 116.42 122.52 1pjz h ASP 8 Ca 0.75 -0.16 0.01 0.00 -3.24 0.00 0.00 57.03 54.38 1pjz h ASP 8 Cb 1.78 -0.03 -0.02 0.00 -1.04 0.00 0.00 39.33 40.02 1pjz h ASP 8 CO -0.68 0.26 -0.28 0.25 -2.04 0.00 0.00 179.24 176.75 1pjz h LEU 9 N -0.01 -0.82 -2.22 0.15 7.12 0.99 1.38 115.31 121.89 1pjz h LEU 9 Ca 0.03 0.08 0.04 0.00 0.13 0.00 0.00 57.88 58.17 1pjz h LEU 9 Cb 0.17 0.30 -0.01 0.00 -0.53 0.00 0.00 40.66 40.59 1pjz h LEU 9 CO -0.00 -0.30 0.15 0.06 -0.13 0.00 0.00 178.44 178.22 1pjz h GLN 10 N -0.41 0.00 0.00 1.25 -0.00 -1.09 -0.22 115.11 114.64 1pjz h GLN 10 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1pjz h GLN 10 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.88 1pjz h GLN 10 CO -0.14 0.00 0.00 0.94 -0.00 0.00 0.00 178.83 179.63 1pjz n GLN 11 N -3.97 0.00 -0.28 0.06 -0.06 0.15 -0.86 117.38 112.42 1pjz n GLN 11 Ca 0.01 0.30 0.00 0.00 -2.00 0.00 0.00 57.00 55.31 1pjz n GLN 11 Cb 0.27 -0.96 0.07 0.00 -4.06 0.00 0.00 30.24 25.55 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 -0.62 0.45 3.69 -1.99 0.18 0.16 116.97 118.84 1pjz h TYR 12 Ca 0.00 0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 1pjz h TYR 12 Cb 0.00 0.39 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 1pjz h TYR 12 CO 0.05 -0.36 -0.30 -1.49 -0.00 0.00 0.00 178.16 176.05 1pjz h TRP 13 N -0.04 -0.79 -1.36 4.88 4.06 -1.18 2.60 115.95 124.12 1pjz h TRP 13 Ca 0.35 -0.01 0.43 0.00 2.06 0.00 0.00 58.89 61.72 1pjz h TRP 13 Cb 0.58 0.29 -0.11 0.00 -1.00 0.00 0.00 29.16 28.91 1pjz h TRP 13 CO -0.67 -0.45 0.90 1.03 -3.56 0.00 0.00 178.44 175.69 1pjz h SER 14 N -0.73 0.22 0.00 -3.49 0.87 0.12 0.14 113.55 110.68 1pjz h SER 14 Ca -0.05 0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 1pjz h SER 14 Cb 0.61 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1pjz h SER 14 CO 0.04 -0.12 -0.74 -1.28 -0.53 0.00 0.00 176.83 174.20 1pjz h SER 15 N 0.10 0.00 -0.58 6.23 0.87 0.46 -3.39 113.55 117.25 1pjz h SER 15 Ca 0.79 -0.22 0.05 0.00 -1.23 0.00 0.00 61.79 61.18 1pjz h SER 15 Cb 2.59 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 64.48 1pjz h SER 15 CO -0.33 1.02 -0.34 0.18 -0.53 0.00 0.00 176.83 176.84 1pjz n LEU 16 N -4.56 -0.61 -2.05 2.23 7.99 0.86 -4.84 117.00 116.02 1pjz n LEU 16 Ca -0.16 1.35 -0.08 0.00 -0.01 0.00 0.00 56.01 57.10 1pjz n LEU 16 Cb 0.41 -0.29 0.04 0.00 -0.11 0.00 0.00 43.42 43.47 1pjz n LEU 16 CO 0.14 -1.00 0.06 -3.20 -1.51 0.00 0.00 177.39 171.88 1pjz n ASN 17 N -4.33 -2.45 -4.21 -1.43 5.15 0.35 -4.98 115.26 103.37 1pjz n ASN 17 Ca 0.01 -0.27 -0.34 0.00 -0.60 0.00 0.00 54.58 53.38 1pjz n ASN 17 Cb 0.15 -2.58 0.12 0.00 -0.53 0.00 0.00 39.78 36.94 1pjz n ASN 17 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1pjz n VAL 18 N -2.68 0.00 -1.74 3.44 0.31 -1.26 -4.83 118.33 111.57 1pjz n VAL 18 Ca -0.10 -0.23 -0.40 0.00 -0.01 0.00 0.00 64.34 63.60 1pjz n VAL 18 Cb 0.57 -0.42 0.02 0.00 -0.91 0.00 0.00 33.84 33.10 1pjz n VAL 18 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1pjz n VAL 19 N -3.96 2.94 -2.31 2.52 3.14 -1.26 -4.87 118.33 114.53 1pjz n VAL 19 Ca 0.01 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.51 1pjz n VAL 19 Cb 0.64 -1.74 -0.03 0.00 -1.06 0.00 0.00 33.84 31.65 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 -2.47 2.97 0.00 1.45 0.04 -1.26 -1.98 135.00 133.75 1pjz s PRO 20 Ca 0.63 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1pjz s PRO 20 Cb -0.46 -4.59 0.00 0.00 0.04 0.00 0.00 34.50 29.49 1pjz s PRO 20 CO 0.56 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 175.46 1pjz n GLY 21 N 5.98 1.02 3.46 0.56 0.00 -1.05 -5.01 105.19 110.14 1pjz n GLY 21 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1pjz n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz n ALA 22 N -0.02 -1.94 -2.62 4.61 0.00 -0.84 -4.02 120.51 115.67 1pjz n ALA 22 Ca 0.00 -0.43 -0.43 0.00 0.00 0.00 0.00 53.44 52.58 1pjz n ALA 22 Cb 0.00 -1.85 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 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 -3.28 3.91 -0.34 0.00 1.81 -0.70 -1.54 118.95 118.82 1pjz s ARG 23 Ca 0.62 0.82 -0.10 0.00 -1.72 0.00 0.00 55.73 55.34 1pjz s ARG 23 Cb -0.28 -3.80 0.01 0.00 -0.45 0.00 0.00 34.95 30.43 1pjz s ARG 23 CO 0.62 -1.06 0.18 0.08 -0.68 0.00 0.00 175.30 174.44 1pjz s VAL 24 N 3.88 4.62 0.25 3.52 1.01 0.15 -1.75 120.40 132.08 1pjz s VAL 24 Ca 0.45 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 1pjz s VAL 24 Cb -0.10 -3.47 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 1pjz s VAL 24 CO 0.21 -0.09 0.57 -0.22 0.00 0.00 0.00 175.10 175.57 1pjz s LEU 25 N 1.59 4.13 -0.51 3.92 2.96 -0.10 -0.35 118.68 130.32 1pjz s LEU 25 Ca 0.03 0.92 0.04 0.00 -0.22 0.00 0.00 54.13 54.90 1pjz s LEU 25 Cb -0.18 -3.70 0.17 0.00 0.50 0.00 0.00 46.19 42.98 1pjz s LEU 25 CO 0.07 -0.11 0.38 -0.69 -1.32 0.00 0.00 176.35 174.68 1pjz s VAL 26 N -1.89 1.24 -0.22 1.68 1.01 -0.92 -0.76 120.40 120.54 1pjz s VAL 26 Ca 0.47 -3.15 -0.29 0.00 0.00 0.00 0.00 61.98 59.01 1pjz s VAL 26 Cb -0.11 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1pjz s VAL 26 CO 0.23 -1.13 1.31 -2.16 0.00 0.00 0.00 175.10 173.34 1pjz s PRO 27 N -0.38 4.07 -0.90 2.72 0.04 -1.23 -1.07 135.00 138.25 1pjz s PRO 27 Ca 0.29 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1pjz s PRO 27 Cb -0.02 -3.84 0.11 0.00 0.04 0.00 0.00 34.50 30.80 1pjz s PRO 27 CO -0.17 -0.92 0.28 1.47 0.04 0.00 0.00 177.00 177.70 1pjz n LEU 28 N 7.17 -0.39 -0.01 -3.56 -0.00 -1.19 -3.85 117.00 115.17 1pjz n LEU 28 Ca 0.15 -0.56 0.02 0.00 -0.00 0.00 0.00 56.01 55.61 1pjz n LEU 28 Cb 0.46 -0.83 -0.04 0.00 -0.00 0.00 0.00 43.42 43.01 1pjz n LEU 28 CO 0.60 0.05 -0.57 0.00 -0.00 0.00 0.00 177.39 177.46 1pjz n GLY 30 N 2.32 -0.12 0.09 0.00 0.00 -1.22 -4.75 105.19 101.50 1pjz n GLY 30 Ca -0.02 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1pjz n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pjz n LYS 31 N 3.45 0.00 0.00 1.61 0.00 -1.26 -4.88 118.16 117.07 1pjz n LYS 31 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.57 1pjz n LYS 31 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.02 1pjz n LYS 31 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1pjz n SER 32 N -1.19 0.00 -0.05 3.14 7.64 -1.26 -4.97 113.62 116.94 1pjz n SER 32 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1pjz n SER 32 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 0.37 0.36 1.43 1.08 -1.96 0.34 115.11 116.73 1pjz h GLN 33 Ca 0.00 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1pjz h GLN 33 Cb 0.00 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 1pjz h GLN 33 CO 0.00 0.82 -0.46 0.22 -0.95 0.00 0.00 178.83 178.46 1pjz h ASP 34 N -0.03 -1.28 -0.22 1.46 3.58 -1.92 0.39 116.42 118.40 1pjz h ASP 34 Ca 0.01 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1pjz h ASP 34 Cb 0.79 0.44 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 1pjz h ASP 34 CO 0.05 -0.59 0.10 0.00 -2.88 0.00 0.00 179.24 175.92 1pjz h MET 35 N -0.85 0.32 -0.43 0.28 -0.00 -1.95 -1.12 114.93 111.17 1pjz h MET 35 Ca -0.03 -0.05 0.12 0.00 -0.00 0.00 0.00 59.70 59.74 1pjz h MET 35 Cb 0.78 -0.05 -0.02 0.00 -0.00 0.00 0.00 31.60 32.31 1pjz h MET 35 CO -0.12 0.36 0.36 0.77 -0.00 0.00 0.00 176.91 178.27 1pjz h SER 36 N 0.21 0.00 0.15 -0.10 0.02 -0.05 0.20 113.55 113.98 1pjz h SER 36 Ca 0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1pjz h SER 36 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1pjz h SER 36 CO -0.01 0.00 -0.07 -0.25 -1.14 0.00 0.00 176.83 175.36 1pjz h TRP 37 N 0.00 -0.19 -0.45 3.45 7.01 0.56 -0.78 115.95 125.54 1pjz h TRP 37 Ca 0.20 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.29 1pjz h TRP 37 Cb 0.92 0.06 -0.10 0.00 -2.10 0.00 0.00 29.16 27.94 1pjz h TRP 37 CO 0.00 0.12 -0.32 -0.07 -2.79 0.00 0.00 178.44 175.38 1pjz h LEU 38 N -0.99 -1.08 -0.06 0.65 -0.00 -0.08 -0.12 115.31 113.62 1pjz h LEU 38 Ca -0.02 0.20 0.02 0.00 -0.00 0.00 0.00 57.88 58.08 1pjz h LEU 38 Cb 0.39 0.52 -0.02 0.00 -0.00 0.00 0.00 40.66 41.55 1pjz h LEU 38 CO 0.03 -0.31 -0.06 0.77 -0.00 0.00 0.00 178.44 178.87 1pjz h SER 39 N -0.22 -0.19 -0.17 -0.43 4.64 -0.77 0.22 113.55 116.64 1pjz h SER 39 Ca 0.19 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.60 1pjz h SER 39 Cb 0.54 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1pjz h SER 39 CO -0.58 -0.08 0.52 1.23 -0.87 0.00 0.00 176.83 177.05 1pjz h GLY 40 N -0.08 0.00 0.75 -0.77 0.00 0.46 0.73 103.07 104.18 1pjz h GLY 40 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.05 1pjz h GLY 40 CO -0.11 0.00 -1.88 -0.18 0.00 0.00 0.00 176.54 174.37 1pjz n GLN 41 N -3.06 0.67 0.00 4.80 -0.06 -0.09 -5.02 117.38 114.63 1pjz n GLN 41 Ca 0.02 0.26 0.00 0.00 -2.00 0.00 0.00 57.00 55.28 1pjz n GLN 41 Cb 0.61 -1.74 0.00 0.00 -4.06 0.00 0.00 30.24 25.05 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 0.73 3.25 1.69 0.00 0.26 -4.99 105.19 107.85 1pjz n GLY 42 Ca -0.24 -0.77 -0.14 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 -1.27 1.24 -1.14 1.61 1.51 -1.16 -2.52 117.35 115.63 1pjz s TYR 43 Ca 0.00 -0.96 -0.20 0.00 -1.01 0.00 0.00 57.07 54.90 1pjz s TYR 43 Cb 0.00 -0.70 0.08 0.00 -0.11 0.00 0.00 41.96 41.23 1pjz s TYR 43 CO 0.00 -0.14 1.53 -1.01 -1.11 0.00 0.00 175.55 174.81 1pjz s HIS 44 N -3.57 2.78 -0.65 2.71 3.76 -0.59 -4.58 115.29 115.16 1pjz s HIS 44 Ca 0.22 -1.32 -0.27 0.00 -0.15 0.00 0.00 55.06 53.54 1pjz s HIS 44 Cb 0.05 -4.64 0.03 0.00 1.11 0.00 0.00 32.58 29.14 1pjz s HIS 44 CO 0.03 -1.79 1.20 0.08 -0.85 0.00 0.00 174.74 173.41 1pjz s VAL 45 N 4.13 3.94 -0.16 -0.90 1.01 -1.26 0.33 120.40 127.49 1pjz s VAL 45 Ca 0.47 0.58 -0.03 0.00 0.00 0.00 0.00 61.98 63.01 1pjz s VAL 45 Cb 0.01 -4.79 0.05 0.00 0.00 0.00 0.00 36.38 31.65 1pjz s VAL 45 CO -0.02 -1.54 0.03 0.54 0.00 0.00 0.00 175.10 174.10 1pjz s VAL 46 N 5.15 0.48 0.11 2.92 0.11 0.52 -1.14 120.40 128.55 1pjz s VAL 46 Ca 0.38 -0.38 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 1pjz s VAL 46 Cb -0.09 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 1pjz s VAL 46 CO 0.20 -0.09 0.19 0.61 -3.33 0.00 0.00 175.10 172.68 1pjz n GLY 47 N 5.08 2.14 3.29 6.54 0.00 0.61 -2.17 105.19 120.68 1pjz n GLY 47 Ca -0.08 -1.22 -0.17 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 -1.54 1.71 -0.48 4.61 0.00 -0.23 -0.96 121.76 124.87 1pjz s ALA 48 Ca 0.06 -1.54 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 1pjz s ALA 48 Cb -0.01 -0.03 0.13 0.00 0.00 0.00 0.00 23.12 23.21 1pjz s ALA 48 CO 0.04 0.01 0.26 -1.21 0.00 0.00 0.00 175.76 174.86 1pjz s GLU 49 N -3.54 2.08 -0.24 0.00 8.01 -0.44 -3.19 118.70 121.38 1pjz s GLU 49 Ca 0.18 -2.14 -0.14 0.00 0.01 0.00 0.00 54.97 52.88 1pjz s GLU 49 Cb -0.00 -3.54 -0.15 0.00 -4.31 0.00 0.00 34.13 26.13 1pjz s GLU 49 CO 0.04 -1.09 1.48 -0.11 0.01 0.00 0.00 175.26 175.59 1pjz n LEU 50 N 4.03 1.59 -3.31 1.80 -0.00 -1.11 0.22 117.00 120.21 1pjz n LEU 50 Ca 0.03 -1.69 -0.07 0.00 -0.00 0.00 0.00 56.01 54.27 1pjz n LEU 50 Cb 0.39 -0.67 -0.06 0.00 -0.00 0.00 0.00 43.42 43.08 1pjz n LEU 50 CO 0.32 -1.11 -0.03 -0.55 -0.00 0.00 0.00 177.39 176.03 1pjz s SER 51 N 5.42 0.02 -0.02 1.96 0.15 0.68 -4.97 113.70 116.94 1pjz s SER 51 Ca 0.36 0.15 -0.18 0.00 0.70 0.00 0.00 55.95 56.98 1pjz s SER 51 Cb 0.08 1.27 -0.10 0.00 -1.71 0.00 0.00 66.02 65.56 1pjz s SER 51 CO 0.13 -0.31 0.77 -0.08 1.20 0.00 0.00 173.24 174.94 1pjz h GLU 52 N 8.15 -0.61 -1.01 5.44 4.81 -1.81 -2.34 114.58 127.21 1pjz h GLU 52 Ca -0.17 0.04 0.27 0.00 -0.13 0.00 0.00 59.36 59.37 1pjz h GLU 52 Cb 1.15 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.60 1pjz h GLU 52 CO 0.27 -0.39 0.69 0.00 -0.73 0.00 0.00 179.01 178.84 1pjz h ALA 53 N -1.12 2.55 0.74 2.92 0.00 -1.96 0.44 119.26 122.83 1pjz h ALA 53 Ca -0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1pjz h ALA 53 Cb 0.50 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1pjz h ALA 53 CO 0.11 -0.88 -0.36 0.00 0.00 0.00 0.00 179.25 178.12 1pjz h ALA 54 N 1.56 -1.00 -0.90 0.00 0.00 -1.94 -0.46 119.26 116.51 1pjz h ALA 54 Ca 0.52 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 55.43 1pjz h ALA 54 Cb 1.64 0.39 -0.13 0.00 0.00 0.00 0.00 17.79 19.69 1pjz h ALA 54 CO -0.15 -1.00 0.40 -0.39 0.00 0.00 0.00 179.25 178.11 1pjz h VAL 55 N -1.13 0.45 -0.57 0.00 -1.51 -0.39 0.54 116.25 113.64 1pjz h VAL 55 Ca -0.10 -0.13 -0.00 0.00 -1.23 0.00 0.00 66.70 65.23 1pjz h VAL 55 Cb 0.79 0.03 -0.03 0.00 -2.13 0.00 0.00 31.29 29.95 1pjz h VAL 55 CO 0.17 0.07 0.34 -0.33 -1.23 0.00 0.00 177.57 176.59 1pjz h GLU 56 N 0.38 0.78 -0.31 5.19 5.08 -0.97 0.41 114.58 125.14 1pjz h GLU 56 Ca 0.57 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.85 1pjz h GLU 56 Cb 1.11 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1pjz h GLU 56 CO -0.54 0.56 0.15 0.07 -1.00 0.00 0.00 179.01 178.25 1pjz h ARG 57 N 0.77 0.43 -0.02 2.33 -0.00 0.17 0.11 114.38 118.17 1pjz h ARG 57 Ca 0.20 -0.04 -0.20 0.00 -0.00 0.00 0.00 59.98 59.94 1pjz h ARG 57 Cb -0.02 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 29.86 1pjz h ARG 57 CO -0.04 0.33 -0.85 1.88 -0.00 0.00 0.00 179.97 181.29 1pjz h TYR 58 N 0.43 0.45 0.00 4.08 0.05 -0.09 -0.14 116.97 121.75 1pjz h TYR 58 Ca 0.11 -0.23 -0.09 0.00 0.05 0.00 0.00 58.73 58.57 1pjz h TYR 58 Cb 0.04 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1pjz h TYR 58 CO 0.00 1.02 -0.43 0.74 -1.05 0.00 0.00 178.16 178.44 1pjz h PHE 59 N 0.19 0.00 0.08 4.88 0.04 0.01 -0.35 116.94 121.79 1pjz h PHE 59 Ca -0.05 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.41 1pjz h PHE 59 Cb 1.46 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.59 1pjz h PHE 59 CO 0.04 0.43 -1.63 0.00 -0.60 0.00 0.00 178.31 176.56 1pjz h THR 60 N 0.00 1.01 -0.04 -1.55 1.03 -0.76 0.41 112.91 113.02 1pjz h THR 60 Ca -0.00 -2.73 -0.26 0.00 -0.01 0.00 0.00 66.41 63.41 1pjz h THR 60 Cb 1.12 2.63 0.02 0.00 -1.07 0.00 0.00 68.15 70.84 1pjz h THR 60 CO 0.06 0.75 -0.98 -0.33 -0.01 0.00 0.00 175.52 175.01 1pjz h GLU 61 N 0.05 0.73 0.06 0.00 4.39 -1.01 -3.32 114.58 115.47 1pjz h GLU 61 Ca -0.27 -0.73 -0.33 0.00 0.34 0.00 0.00 59.36 58.37 1pjz h GLU 61 Cb 2.00 0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 30.81 1pjz h GLU 61 CO 0.12 1.31 -1.86 0.54 -1.16 0.00 0.00 179.01 177.97 1pjz n ARG 62 N -3.87 0.69 -2.50 2.33 1.74 -0.14 -5.00 116.66 109.91 1pjz n ARG 62 Ca -0.10 0.28 -0.02 0.00 -0.77 0.00 0.00 57.85 57.24 1pjz n ARG 62 Cb 0.85 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 1pjz n ARG 62 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pjz n GLY 63 N 1.76 0.79 0.35 -0.13 0.00 0.14 -4.85 105.19 103.24 1pjz n GLY 63 Ca -0.24 -0.65 0.01 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.84 -0.89 0.00 1.61 1.02 -0.99 -5.01 120.64 115.54 1pjz n GLU 64 Ca -0.00 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1pjz n GLU 64 Cb 0.51 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 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 -1.90 0.00 -0.86 3.49 6.02 -1.26 -5.10 117.38 117.77 1pjz n GLN 65 Ca -0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.81 1pjz n GLN 65 Cb 0.12 0.00 0.13 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 -1.50 -2.72 -1.09 -0.04 -1.26 -4.95 135.00 123.44 1pjz n PRO 66 Ca 0.00 -1.11 -0.42 0.00 -0.04 0.00 0.00 63.50 61.93 1pjz n PRO 66 Cb 0.00 -0.87 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 1pjz n PRO 66 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1pjz s HIS 67 N -2.42 2.53 -0.20 0.54 2.46 -0.21 -4.91 115.29 113.07 1pjz s HIS 67 Ca 0.43 -0.23 -0.15 0.00 0.47 0.00 0.00 55.06 55.57 1pjz s HIS 67 Cb -0.03 -4.41 -0.04 0.00 -0.13 0.00 0.00 32.58 27.97 1pjz s HIS 67 CO 0.31 -1.77 0.35 0.42 -2.47 0.00 0.00 174.74 171.58 1pjz s ILE 68 N 4.75 5.24 0.11 0.89 -1.09 -1.25 -1.18 121.20 128.66 1pjz s ILE 68 Ca 0.29 0.61 0.09 0.00 -2.23 0.00 0.00 60.65 59.41 1pjz s ILE 68 Cb -0.12 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 1pjz s ILE 68 CO 0.14 0.29 -0.22 -0.89 -1.23 0.00 0.00 174.94 173.03 1pjz s THR 69 N 1.14 1.80 -0.47 2.92 2.01 0.72 -4.94 115.64 118.82 1pjz s THR 69 Ca 0.17 -1.59 -0.09 0.00 0.31 0.00 0.00 61.69 60.49 1pjz s THR 69 Cb -0.14 -1.63 0.12 0.00 0.01 0.00 0.00 72.50 70.85 1pjz s THR 69 CO 0.07 -0.04 0.35 -0.94 -0.69 0.00 0.00 174.62 173.36 1pjz s SER 70 N -1.95 5.71 -0.94 3.53 1.04 -1.26 -0.30 113.70 119.54 1pjz s SER 70 Ca 0.08 -1.91 -0.10 0.00 0.48 0.00 0.00 55.95 54.49 1pjz s SER 70 Cb -0.10 -2.01 0.24 0.00 0.10 0.00 0.00 66.02 64.25 1pjz s SER 70 CO 0.05 -0.70 0.89 -1.58 0.98 0.00 0.00 173.24 172.88 1pjz s GLN 71 N 1.37 3.77 6.36 4.02 -0.44 0.99 -4.97 119.66 130.75 1pjz s GLN 71 Ca 0.06 -2.84 0.00 0.00 -2.50 0.00 0.00 55.36 50.07 1pjz s GLN 71 Cb -0.26 -4.40 0.00 0.00 -1.64 0.00 0.00 33.01 26.70 1pjz s GLN 71 CO -0.01 -1.26 0.00 0.41 0.50 0.00 0.00 175.29 174.93 1pjz n GLY 72 N 3.29 1.86 0.17 2.59 0.00 -1.26 0.24 105.19 112.08 1pjz n GLY 72 Ca 0.18 0.32 0.12 0.00 0.00 0.00 0.00 46.02 46.64 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 11.34 1.07 -4.87 1.61 9.92 -1.26 -4.92 116.55 129.44 1pjz n ASP 73 Ca 0.00 -0.86 -0.23 0.00 -0.53 0.00 0.00 54.79 53.17 1pjz n ASP 73 Cb 0.00 0.44 -0.03 0.00 -0.64 0.00 0.00 41.12 40.90 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 -2.76 2.30 0.37 1.24 0.08 0.14 -5.05 117.98 114.29 1pjz s PHE 74 Ca 0.15 -0.63 0.05 0.00 0.12 0.00 0.00 56.93 56.62 1pjz s PHE 74 Cb 0.18 -2.06 -0.06 0.00 -0.57 0.00 0.00 43.02 40.50 1pjz s PHE 74 CO 0.67 -0.23 0.05 0.15 -0.10 0.00 0.00 175.22 175.75 1pjz s LYS 75 N -4.17 1.79 -0.31 0.44 1.02 -1.26 -0.01 119.74 117.24 1pjz s LYS 75 Ca 0.43 -2.02 -0.01 0.00 0.02 0.00 0.00 55.97 54.40 1pjz s LYS 75 Cb -0.02 -1.12 0.13 0.00 -0.52 0.00 0.00 37.83 36.30 1pjz s LYS 75 CO 0.25 -0.17 0.24 0.08 -0.92 0.00 0.00 175.35 174.83 1pjz s VAL 76 N -3.09 -0.17 -0.47 3.17 1.01 0.59 -1.33 120.40 120.10 1pjz s VAL 76 Ca 0.34 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 1pjz s VAL 76 Cb 0.08 -0.96 0.11 0.00 0.00 0.00 0.00 36.38 35.62 1pjz s VAL 76 CO 0.16 -0.68 0.35 -0.47 0.00 0.00 0.00 175.10 174.46 1pjz s TYR 77 N 1.87 3.38 0.07 5.22 5.04 0.03 -0.20 117.35 132.76 1pjz s TYR 77 Ca 0.12 -1.72 0.00 0.00 -2.44 0.00 0.00 57.07 53.04 1pjz s TYR 77 Cb -0.17 -3.44 -0.04 0.00 0.35 0.00 0.00 41.96 38.67 1pjz s TYR 77 CO -0.23 -0.97 0.21 0.00 -1.34 0.00 0.00 175.55 173.23 1pjz s ALA 78 N 1.41 4.00 0.27 3.97 0.00 -0.33 -0.58 121.76 130.49 1pjz s ALA 78 Ca 0.05 -0.86 0.11 0.00 0.00 0.00 0.00 51.96 51.26 1pjz s ALA 78 Cb -0.26 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 1pjz s ALA 78 CO 0.00 0.80 -0.12 0.00 0.00 0.00 0.00 175.76 176.45 1pjz s ALA 79 N -1.53 2.91 0.03 0.00 0.00 -1.17 -1.05 121.76 120.95 1pjz s ALA 79 Ca 0.35 -1.76 0.19 0.00 0.00 0.00 0.00 51.96 50.74 1pjz s ALA 79 Cb -0.13 -0.49 0.52 0.00 0.00 0.00 0.00 23.12 23.02 1pjz s ALA 79 CO 0.28 0.29 1.65 -1.00 0.00 0.00 0.00 175.76 176.98 1pjz h PRO 80 N 2.19 0.00 0.09 0.00 0.13 -1.98 -3.30 132.00 129.14 1pjz h PRO 80 Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1pjz h PRO 80 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pjz h PRO 80 CO 0.59 0.38 -0.04 0.78 -0.23 0.00 0.00 178.00 179.48 1pjz h GLY 81 N 2.61 -0.13 -1.96 1.56 0.00 -2.01 -3.47 103.07 99.66 1pjz h GLY 81 Ca -0.00 0.05 -0.60 0.00 0.00 0.00 0.00 47.33 46.78 1pjz h GLY 81 CO 0.05 -0.05 -0.67 -1.50 0.00 0.00 0.00 176.54 174.37 1pjz s ILE 82 N -2.83 2.11 -0.84 2.60 -1.16 -1.24 -5.04 121.20 114.80 1pjz s ILE 82 Ca -0.12 -2.17 -0.02 0.00 -0.51 0.00 0.00 60.65 57.83 1pjz s ILE 82 Cb -0.00 -2.64 0.35 0.00 0.61 0.00 0.00 42.46 40.77 1pjz s ILE 82 CO 0.45 -0.20 2.00 -0.62 -2.81 0.00 0.00 174.94 173.76 1pjz n GLU 83 N -0.77 2.77 -3.72 3.50 4.71 -0.29 -3.06 120.64 123.78 1pjz n GLU 83 Ca -0.05 -3.55 -0.37 0.00 -0.01 0.00 0.00 57.16 53.18 1pjz n GLU 83 Cb 0.64 -2.27 -0.12 0.00 -1.01 0.00 0.00 31.44 28.68 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 -5.09 4.34 -0.45 -3.67 -1.09 -1.25 -0.28 121.20 113.70 1pjz s ILE 84 Ca 0.52 -0.35 -0.12 0.00 -2.23 0.00 0.00 60.65 58.47 1pjz s ILE 84 Cb 0.44 -3.13 0.08 0.00 -1.58 0.00 0.00 42.46 38.27 1pjz s ILE 84 CO -0.41 0.20 0.33 -1.66 -1.23 0.00 0.00 174.94 172.17 1pjz s TRP 85 N 1.59 3.30 0.14 3.97 1.48 -0.13 -3.63 118.94 125.66 1pjz s TRP 85 Ca 0.05 -1.29 -0.31 0.00 -1.06 0.00 0.00 56.10 53.49 1pjz s TRP 85 Cb -0.16 -3.11 -0.08 0.00 -1.16 0.00 0.00 33.47 28.95 1pjz s TRP 85 CO 0.04 -0.84 1.41 0.00 -4.06 0.00 0.00 176.95 173.50 1pjz n GLY 87 N 3.29 0.65 3.56 0.00 0.00 0.13 -0.79 105.19 112.04 1pjz n GLY 87 Ca 0.11 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 3.84 -0.26 1.61 2.15 -0.44 -0.23 116.67 119.34 1pjz s ASP 88 Ca 0.00 -1.10 -0.00 0.00 0.43 0.00 0.00 52.55 51.87 1pjz s ASP 88 Cb 0.00 -0.40 0.08 0.00 -0.30 0.00 0.00 42.92 42.30 1pjz s ASP 88 CO 0.00 -0.16 0.02 0.12 -0.17 0.00 0.00 175.17 174.98 1pjz s PHE 89 N -2.56 2.03 0.00 -5.34 2.19 -1.26 -4.59 117.98 108.44 1pjz s PHE 89 Ca 0.33 -1.69 0.00 0.00 0.33 0.00 0.00 56.93 55.90 1pjz s PHE 89 Cb 0.00 -1.64 0.00 0.00 -1.31 0.00 0.00 43.02 40.07 1pjz s PHE 89 CO 0.17 -0.79 0.00 0.34 1.83 0.00 0.00 175.22 176.77 1pjz n PHE 90 N 4.76 0.00 0.00 10.12 -0.00 -1.26 -4.97 117.46 126.11 1pjz n PHE 90 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.38 1pjz n PHE 90 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.92 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1pjz n ALA 91 N 0.00 0.00 -0.77 3.13 0.00 -1.26 -4.97 120.51 116.64 1pjz n ALA 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pjz n ALA 91 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pjz n ALA 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1pjz n LEU 92 N 0.00 0.12 -3.29 0.00 -0.00 -1.26 -5.08 117.00 107.49 1pjz n LEU 92 Ca 0.00 -0.12 -0.24 0.00 -0.00 0.00 0.00 56.01 55.65 1pjz n LEU 92 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 1pjz n LEU 92 CO 0.00 0.03 -0.29 0.41 -0.00 0.00 0.00 177.39 177.54 1pjz n THR 93 N -0.02 -5.19 0.09 1.47 -1.04 -1.26 -4.37 114.28 103.96 1pjz n THR 93 Ca 0.00 0.41 0.05 0.00 -2.04 0.00 0.00 64.05 62.48 1pjz n THR 93 Cb 0.19 -4.25 0.28 0.00 -1.82 0.00 0.00 70.33 64.73 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 0.17 0.89 -0.02 2.41 0.00 -1.23 -0.85 120.51 121.88 1pjz n ALA 94 Ca -0.03 0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.34 1pjz n ALA 94 Cb 0.57 -1.03 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 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 0.12 -0.07 0.00 0.11 0.21 0.49 114.38 115.22 1pjz h ARG 95 Ca 0.00 -0.20 -0.01 0.00 0.10 0.00 0.00 59.98 59.88 1pjz h ARG 95 Cb 0.16 0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.31 1pjz h ARG 95 CO 0.00 1.09 0.02 -0.44 0.10 0.00 0.00 179.97 180.75 1pjz h ASP 96 N -0.76 0.11 -0.18 0.08 3.32 -1.25 0.33 116.42 118.06 1pjz h ASP 96 Ca -0.06 -0.19 -0.13 0.00 0.02 0.00 0.00 57.03 56.67 1pjz h ASP 96 Cb 1.25 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1pjz h ASP 96 CO 0.06 0.27 -0.41 0.16 -1.72 0.00 0.00 179.24 177.60 1pjz h ILE 97 N -0.06 1.33 0.00 0.35 -0.00 -1.47 -3.36 117.51 114.30 1pjz h ILE 97 Ca 0.02 -1.66 0.00 0.00 -0.00 0.00 0.00 64.86 63.23 1pjz h ILE 97 Cb 0.20 1.93 0.00 0.00 -0.00 0.00 0.00 36.82 38.95 1pjz h ILE 97 CO -0.00 0.51 0.00 0.61 -0.00 0.00 0.00 178.15 179.27 1pjz n GLY 98 N 0.46 -2.99 5.07 0.16 0.00 0.17 -4.65 105.19 103.42 1pjz n GLY 98 Ca -0.06 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.06 0.00 -3.77 1.61 -0.00 0.09 -4.28 115.22 107.82 1pjz n HIS 99 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 1pjz n HIS 99 Cb 0.00 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 29.75 1pjz n HIS 99 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1pjz n ALA 101 N 3.37 0.00 -4.00 0.00 0.00 -0.08 -1.72 120.51 118.08 1pjz n ALA 101 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.30 1pjz n ALA 101 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.03 1pjz n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz s ALA 102 N -1.00 -2.46 -0.28 0.00 0.00 -0.72 0.29 121.76 117.60 1pjz s ALA 102 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 51.96 51.77 1pjz s ALA 102 Cb 0.00 0.92 0.09 0.00 0.00 0.00 0.00 23.12 24.13 1pjz s ALA 102 CO 0.00 -1.15 0.78 -0.59 0.00 0.00 0.00 175.76 174.80 1pjz s PHE 103 N -2.02 -0.87 -0.37 0.00 -0.71 -0.25 -0.92 117.98 112.84 1pjz s PHE 103 Ca 0.30 1.83 -0.20 0.00 -1.04 0.00 0.00 56.93 57.82 1pjz s PHE 103 Cb -0.01 0.49 0.00 0.00 -1.21 0.00 0.00 43.02 42.30 1pjz s PHE 103 CO -0.00 -0.43 0.59 -0.47 -1.34 0.00 0.00 175.22 173.57 1pjz s TYR 104 N 1.23 3.15 -0.20 3.49 5.04 0.06 -1.25 117.35 128.87 1pjz s TYR 104 Ca -0.07 0.20 -0.09 0.00 -2.44 0.00 0.00 57.07 54.67 1pjz s TYR 104 Cb -0.05 -3.10 -0.05 0.00 0.35 0.00 0.00 41.96 39.12 1pjz s TYR 104 CO -0.14 -0.64 0.11 0.34 -1.34 0.00 0.00 175.55 173.88 1pjz s ASP 105 N 1.82 6.00 0.05 4.32 -1.08 0.13 -3.50 116.67 124.40 1pjz s ASP 105 Ca 0.22 0.16 0.01 0.00 -0.52 0.00 0.00 52.55 52.42 1pjz s ASP 105 Cb -0.15 -2.05 -0.04 0.00 -1.46 0.00 0.00 42.92 39.22 1pjz s ASP 105 CO 0.15 0.16 0.12 -0.60 0.52 0.00 0.00 175.17 175.52 1pjz s ARG 106 N 0.47 3.12 -0.75 4.34 3.52 -1.25 -0.05 118.95 128.35 1pjz s ARG 106 Ca 0.06 -0.54 -0.36 0.00 -0.13 0.00 0.00 55.73 54.76 1pjz s ARG 106 Cb -0.12 -2.88 -0.20 0.00 -1.56 0.00 0.00 34.95 30.20 1pjz s ARG 106 CO -0.00 0.61 2.45 0.00 -0.81 0.00 0.00 175.30 177.54 1pjz n ALA 107 N 0.63 0.34 0.00 6.12 0.00 0.52 -4.57 120.51 123.55 1pjz n ALA 107 Ca -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1pjz n ALA 107 Cb 0.52 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1pjz n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz n ALA 108 N 9.61 2.83 0.25 0.00 0.00 -1.26 -4.78 120.51 127.16 1pjz n ALA 108 Ca 0.59 0.00 0.11 0.00 0.00 0.00 0.00 53.44 54.14 1pjz n ALA 108 Cb 0.04 0.23 0.66 0.00 0.00 0.00 0.00 19.45 20.38 1pjz n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz h MET 109 N 0.00 0.00 0.00 0.00 -0.00 -1.93 -0.75 114.93 112.25 1pjz h MET 109 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1pjz h MET 109 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 1pjz h MET 109 CO 0.00 0.15 0.00 -0.84 -0.00 0.00 0.00 176.91 176.22 1pjz h ILE 110 N 0.00 0.00 0.00 -0.10 -2.65 -1.92 -0.95 117.51 111.89 1pjz h ILE 110 Ca -0.00 -0.38 0.00 0.00 1.03 0.00 0.00 64.86 65.51 1pjz h ILE 110 Cb 0.39 1.27 0.00 0.00 -2.05 0.00 0.00 36.82 36.44 1pjz h ILE 110 CO 0.02 0.00 -0.24 0.00 0.03 0.00 0.00 178.15 177.96 1pjz h ALA 111 N 2.09 0.86 -1.06 0.16 0.00 -1.35 1.13 119.26 121.09 1pjz h ALA 111 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1pjz h ALA 111 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1pjz h ALA 111 CO 0.00 0.00 -0.34 -0.48 0.00 0.00 0.00 179.25 178.43 1pjz s LEU 112 N -5.14 3.05 0.00 0.00 2.34 -0.36 -4.87 118.68 113.70 1pjz s LEU 112 Ca 0.07 -1.00 0.00 0.00 0.06 0.00 0.00 54.13 53.26 1pjz s LEU 112 Cb 0.10 -1.59 0.00 0.00 -0.56 0.00 0.00 46.19 44.14 1pjz s LEU 112 CO 0.67 -0.89 0.00 -0.81 -1.06 0.00 0.00 176.35 174.26 1pjz n PRO 113 N -1.66 -0.20 0.10 1.48 -0.04 -1.26 -4.78 135.00 128.64 1pjz n PRO 113 Ca 0.02 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.43 1pjz n PRO 113 Cb 0.63 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.07 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 -0.48 -0.92 0.55 0.00 -1.97 -0.77 119.26 113.66 1pjz h ALA 114 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1pjz h ALA 114 Cb 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.79 1pjz h ALA 114 CO 0.00 -0.46 -0.54 -0.25 0.00 0.00 0.00 179.25 178.00 1pjz n ASP 115 N -3.69 -0.97 -0.28 0.00 8.00 -1.26 0.15 116.55 118.50 1pjz n ASP 115 Ca -0.04 1.69 0.08 0.00 0.71 0.00 0.00 54.79 57.23 1pjz n ASP 115 Cb 0.12 -0.24 0.31 0.00 -0.02 0.00 0.00 41.12 41.28 1pjz n ASP 115 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1pjz h MET 116 N 0.00 0.84 -0.30 -1.24 4.05 -1.95 -0.71 114.93 115.62 1pjz h MET 116 Ca 0.15 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.53 1pjz h MET 116 Cb 0.38 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1pjz h MET 116 CO -0.86 0.56 0.17 0.00 0.23 0.00 0.00 176.91 177.01 1pjz h ARG 117 N 0.86 0.35 -0.81 0.39 3.08 0.29 0.43 114.38 118.98 1pjz h ARG 117 Ca 0.41 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.40 1pjz h ARG 117 Cb 0.42 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1pjz h ARG 117 CO -0.18 0.23 0.34 0.93 -1.07 0.00 0.00 179.97 180.22 1pjz h GLU 118 N 0.36 1.21 0.00 0.04 5.08 0.78 0.39 114.58 122.43 1pjz h GLU 118 Ca 0.12 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1pjz h GLU 118 Cb -0.00 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1pjz h GLU 118 CO -0.05 0.96 -0.31 0.00 -1.00 0.00 0.00 179.01 178.61 1pjz h ARG 119 N 1.18 0.00 0.13 2.33 2.47 -0.60 -1.14 114.38 118.75 1pjz h ARG 119 Ca 0.27 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.99 1pjz h ARG 119 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1pjz h ARG 119 CO -0.02 0.31 -0.06 -0.92 0.56 0.00 0.00 179.97 179.83 1pjz h TYR 120 N 0.00 -0.16 -0.59 3.04 5.03 0.79 -0.24 116.97 124.84 1pjz h TYR 120 Ca -0.00 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.35 1pjz h TYR 120 Cb 0.76 0.05 -0.05 0.00 1.55 0.00 0.00 36.73 39.05 1pjz h TYR 120 CO 0.00 0.19 0.33 -0.39 -1.32 0.00 0.00 178.16 176.97 1pjz h VAL 121 N -0.97 0.99 -0.32 1.81 -1.51 -0.98 0.33 116.25 115.60 1pjz h VAL 121 Ca -0.02 -0.22 -0.03 0.00 -1.23 0.00 0.00 66.70 65.21 1pjz h VAL 121 Cb 0.43 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 29.88 1pjz h VAL 121 CO 0.03 0.12 0.10 0.06 -1.23 0.00 0.00 177.57 176.65 1pjz h GLN 122 N 0.63 0.50 -0.78 5.19 3.07 -1.31 0.17 115.11 122.58 1pjz h GLN 122 Ca 0.26 -0.11 0.01 0.00 0.09 0.00 0.00 58.65 58.90 1pjz h GLN 122 Cb 0.12 -0.07 -0.04 0.00 0.08 0.00 0.00 27.48 27.57 1pjz h GLN 122 CO -0.15 0.54 0.51 0.45 0.09 0.00 0.00 178.83 180.27 1pjz h HIS 123 N 0.36 0.97 0.35 0.06 3.86 -0.35 0.24 115.15 120.65 1pjz h HIS 123 Ca 0.10 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1pjz h HIS 123 Cb 0.25 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1pjz h HIS 123 CO 0.01 0.61 -0.17 1.25 0.86 0.00 0.00 177.93 180.49 1pjz h LEU 124 N 1.05 -0.40 -1.81 2.43 7.12 0.05 -1.01 115.31 122.74 1pjz h LEU 124 Ca 0.28 0.01 0.05 0.00 0.13 0.00 0.00 57.88 58.36 1pjz h LEU 124 Cb -0.12 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.10 1pjz h LEU 124 CO -0.06 -0.17 0.45 1.05 -0.13 0.00 0.00 178.44 179.59 1pjz h GLU 125 N -0.71 0.00 0.03 1.25 -0.00 -0.57 2.43 114.58 117.00 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 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.11 1pjz h GLU 125 CO 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 179.01 179.08 1pjz h ALA 126 N 1.26 -0.04 -0.01 1.06 0.00 -0.36 -3.21 119.26 117.96 1pjz h ALA 126 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1pjz h ALA 126 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1pjz h ALA 126 CO -0.00 -0.13 -0.03 1.47 0.00 0.00 0.00 179.25 180.56 1pjz n LEU 127 N -4.74 0.92 -4.52 0.00 -0.00 0.59 -4.90 117.00 104.34 1pjz n LEU 127 Ca -0.09 -0.28 -0.29 0.00 -0.00 0.00 0.00 56.01 55.35 1pjz n LEU 127 Cb 0.35 -0.03 0.24 0.00 -0.00 0.00 0.00 43.42 43.98 1pjz n LEU 127 CO 0.31 0.16 0.55 -0.04 -0.00 0.00 0.00 177.39 178.37 1pjz s MET 128 N -2.09 -1.09 0.00 1.47 -1.94 0.79 0.20 119.30 116.63 1pjz s MET 128 Ca 0.39 0.38 0.00 0.00 -1.71 0.00 0.00 55.69 54.74 1pjz s MET 128 Cb 0.21 -1.57 0.00 0.00 2.01 0.00 0.00 34.83 35.48 1pjz s MET 128 CO 0.37 -3.72 0.00 -0.35 -0.01 0.00 0.00 175.02 171.32 1pjz n PRO 129 N -4.84 1.11 -0.07 2.03 -0.04 -1.25 -4.12 135.00 127.82 1pjz n PRO 129 Ca 0.08 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 1pjz n PRO 129 Cb 0.58 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.97 1pjz n PRO 129 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1pjz n GLN 130 N 0.00 0.51 -3.41 0.54 1.13 -0.33 -4.86 117.38 110.96 1pjz n GLN 130 Ca 0.00 0.07 -0.22 0.00 -1.94 0.00 0.00 57.00 54.91 1pjz n GLN 130 Cb 0.00 -1.28 -0.10 0.00 0.11 0.00 0.00 30.24 28.97 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pjz s ALA 131 N -2.28 0.15 0.04 -1.58 0.00 -0.68 -3.97 121.76 113.44 1pjz s ALA 131 Ca -0.18 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 50.40 1pjz s ALA 131 Cb 0.05 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.37 1pjz s ALA 131 CO 0.33 -2.06 0.26 0.00 0.00 0.00 0.00 175.76 174.29 1pjz s SER 133 N -2.07 6.12 -0.05 0.00 1.04 0.15 0.38 113.70 119.27 1pjz s SER 133 Ca -0.05 -0.87 -0.08 0.00 0.48 0.00 0.00 55.95 55.43 1pjz s SER 133 Cb -0.01 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 1pjz s SER 133 CO -0.03 -0.47 0.23 -0.83 0.98 0.00 0.00 173.24 173.11 1pjz s GLY 134 N 1.71 2.24 -0.18 7.32 0.00 0.18 -1.09 107.32 117.51 1pjz s GLY 134 Ca 0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 1pjz s GLY 134 CO 0.11 -0.32 -0.04 -2.27 0.00 0.00 0.00 173.10 170.57 1pjz s LEU 135 N -1.34 1.66 0.03 0.66 0.20 -0.38 0.07 118.68 119.58 1pjz s LEU 135 Ca 0.21 -0.74 -0.17 0.00 0.69 0.00 0.00 54.13 54.13 1pjz s LEU 135 Cb -0.13 -0.89 -0.06 0.00 -0.43 0.00 0.00 46.19 44.67 1pjz s LEU 135 CO 0.10 -0.21 0.48 -0.22 -0.29 0.00 0.00 176.35 176.21 1pjz s LEU 136 N 1.64 4.50 -0.32 -0.68 0.20 -0.12 0.17 118.68 124.07 1pjz s LEU 136 Ca -0.00 1.09 0.03 0.00 0.69 0.00 0.00 54.13 55.93 1pjz s LEU 136 Cb -0.16 -2.72 0.09 0.00 -0.43 0.00 0.00 46.19 42.98 1pjz s LEU 136 CO -0.07 0.30 0.03 -0.63 -0.29 0.00 0.00 176.35 175.69 1pjz s ILE 137 N -1.06 1.94 0.51 6.68 -1.09 0.93 -1.31 121.20 127.80 1pjz s ILE 137 Ca 0.26 -2.00 0.07 0.00 -2.23 0.00 0.00 60.65 56.75 1pjz s ILE 137 Cb -0.18 -2.38 0.04 0.00 -1.58 0.00 0.00 42.46 38.36 1pjz s ILE 137 CO 0.16 -0.52 0.53 0.42 -1.23 0.00 0.00 174.94 174.30 1pjz s THR 138 N 1.10 2.16 0.21 2.92 -4.23 0.17 0.19 115.64 118.17 1pjz s THR 138 Ca 0.07 -1.27 -0.08 0.00 -1.18 0.00 0.00 61.69 59.24 1pjz s THR 138 Cb -0.19 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 1pjz s THR 138 CO -0.11 0.00 0.31 -0.76 -0.54 0.00 0.00 174.62 173.53 1pjz s LEU 139 N -4.36 0.75 0.00 4.79 1.02 -1.26 0.26 118.68 119.88 1pjz s LEU 139 Ca 0.48 -1.09 0.00 0.00 0.02 0.00 0.00 54.13 53.54 1pjz s LEU 139 Cb -0.04 1.15 0.00 0.00 0.02 0.00 0.00 46.19 47.32 1pjz s LEU 139 CO 0.29 -0.98 0.00 1.21 0.02 0.00 0.00 176.35 176.89 1pjz n GLU 140 N -0.31 0.00 0.00 1.70 0.00 -0.33 -3.33 120.64 118.38 1pjz n GLU 140 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1pjz n GLU 140 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.08 1pjz n GLU 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1pjz n TYR 141 N -1.18 0.00 -0.50 4.31 4.02 -1.26 -4.44 117.16 118.12 1pjz n TYR 141 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 1pjz n TYR 141 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 1pjz n TYR 141 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1pjz n ASP 142 N -0.35 -0.34 0.00 7.72 5.75 -1.26 -4.63 116.55 123.44 1pjz n ASP 142 Ca 0.00 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 1pjz n ASP 142 Cb 0.00 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 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 0.39 0.00 -2.46 0.11 -0.00 -1.26 -4.14 117.38 110.02 1pjz n GLN 143 Ca 0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 56.85 1pjz n GLN 143 Cb 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 30.24 30.33 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 -4.27 120.51 122.20 1pjz n ALA 144 Ca 0.00 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 49.51 1pjz n ALA 144 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.44 0.00 -4.87 0.00 -0.00 -1.26 -5.14 117.00 105.29 1pjz n LEU 145 Ca 0.32 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 56.02 1pjz n LEU 145 Cb 0.75 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.13 1pjz n LEU 145 CO 0.32 0.00 0.37 -0.22 -0.00 0.00 0.00 177.39 177.86 1pjz s LEU 146 N -0.15 3.96 -0.47 1.47 0.20 -1.26 -4.83 118.68 117.60 1pjz s LEU 146 Ca 0.00 1.08 -0.27 0.00 0.69 0.00 0.00 54.13 55.63 1pjz s LEU 146 Cb 0.00 -3.92 -0.05 0.00 -0.43 0.00 0.00 46.19 41.79 1pjz s LEU 146 CO 0.00 -0.28 2.17 -1.61 -0.29 0.00 0.00 176.35 176.34 1pjz s GLU 147 N -3.46 2.52 0.00 1.98 2.02 -1.26 -4.41 118.70 116.08 1pjz s GLU 147 Ca 0.50 1.28 0.00 0.00 0.02 0.00 0.00 54.97 56.78 1pjz s GLU 147 Cb -0.10 -4.46 0.00 0.00 0.10 0.00 0.00 34.13 29.67 1pjz s GLU 147 CO 0.26 -2.82 0.00 0.41 0.02 0.00 0.00 175.26 173.14 1pjz n GLY 148 N 5.82 -2.42 3.63 -1.39 0.00 -1.26 -4.92 105.19 104.65 1pjz n GLY 148 Ca 0.30 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 1pjz n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pjz s PRO 149 N -3.51 3.86 0.25 1.61 0.04 -1.26 -4.72 135.00 131.26 1pjz s PRO 149 Ca 0.00 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 1pjz s PRO 149 Cb 0.00 -3.92 -0.09 0.00 0.04 0.00 0.00 34.50 30.53 1pjz s PRO 149 CO 0.00 -1.20 1.09 -1.25 0.04 0.00 0.00 177.00 175.68 1pjz s PRO 150 N 4.32 4.64 -0.12 0.56 0.04 -1.26 -4.44 135.00 138.75 1pjz s PRO 150 Ca 0.59 1.76 0.04 0.00 0.04 0.00 0.00 61.00 63.43 1pjz s PRO 150 Cb -0.17 -3.22 0.30 0.00 0.04 0.00 0.00 34.50 31.45 1pjz s PRO 150 CO 0.25 0.19 1.09 1.19 0.04 0.00 0.00 177.00 179.76 1pjz n PHE 151 N 1.57 0.92 -3.59 0.56 3.72 0.39 -4.87 117.46 116.16 1pjz n PHE 151 Ca 0.00 -0.50 -0.22 0.00 -0.05 0.00 0.00 57.45 56.68 1pjz n PHE 151 Cb 0.45 -0.34 -0.06 0.00 -0.94 0.00 0.00 39.48 38.59 1pjz n PHE 151 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1pjz n SER 152 N 0.13 0.16 -3.58 4.37 3.41 -1.21 -4.52 113.62 112.37 1pjz n SER 152 Ca 0.14 -0.80 -0.51 0.00 -0.26 0.00 0.00 58.87 57.44 1pjz n SER 152 Cb 0.72 -1.01 -0.07 0.00 -0.26 0.00 0.00 64.21 63.59 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 -3.13 0.00 -2.47 -3.33 3.14 -1.26 -4.80 118.33 106.47 1pjz n VAL 153 Ca -0.14 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.83 1pjz n VAL 153 Cb 0.40 -0.32 -0.03 0.00 -1.06 0.00 0.00 33.84 32.82 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 1.94 4.50 0.35 1.45 0.04 -1.26 -4.92 135.00 137.10 1pjz s PRO 154 Ca 0.78 1.73 0.11 0.00 0.04 0.00 0.00 61.00 63.67 1pjz s PRO 154 Cb -1.11 -3.32 0.91 0.00 0.04 0.00 0.00 34.50 31.02 1pjz s PRO 154 CO 0.59 -0.11 1.77 0.37 0.04 0.00 0.00 177.00 179.67 1pjz h GLN 155 N 6.08 0.56 -0.65 4.56 -0.00 -1.98 0.27 115.11 123.96 1pjz h GLN 155 Ca -0.43 -0.03 0.06 0.00 -0.00 0.00 0.00 58.65 58.25 1pjz h GLN 155 Cb 1.21 -0.13 -0.05 0.00 0.00 0.00 0.00 27.48 28.51 1pjz h GLN 155 CO 0.77 0.37 0.36 0.00 0.00 0.00 0.00 178.83 180.33 1pjz h THR 156 N 0.58 0.96 -0.33 2.39 1.03 -1.97 0.40 112.91 115.97 1pjz h THR 156 Ca 0.59 -0.23 -0.02 0.00 -0.01 0.00 0.00 66.41 66.74 1pjz h THR 156 Cb 1.17 0.24 -0.01 0.00 -1.07 0.00 0.00 68.15 68.48 1pjz h THR 156 CO -0.36 0.12 0.13 -0.25 -0.01 0.00 0.00 175.52 175.15 1pjz h TRP 157 N 0.66 0.51 -0.91 0.00 7.01 -0.89 0.57 115.95 122.91 1pjz h TRP 157 Ca 0.29 -0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.31 1pjz h TRP 157 Cb 0.18 -0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 27.03 1pjz h TRP 157 CO -0.08 0.48 0.57 1.25 -2.79 0.00 0.00 178.44 177.88 1pjz h LEU 158 N 0.39 0.91 -0.33 0.65 5.85 -0.20 0.48 115.31 123.06 1pjz h LEU 158 Ca 0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1pjz h LEU 158 Cb 0.19 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1pjz h LEU 158 CO -0.01 0.59 0.00 -0.74 -0.34 0.00 0.00 178.44 177.94 1pjz h HIS 159 N 1.05 0.00 0.17 1.25 2.76 0.35 1.99 115.15 122.73 1pjz h HIS 159 Ca 0.39 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 58.25 1pjz h HIS 159 Cb 0.15 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.13 1pjz h HIS 159 CO -0.02 0.00 -1.46 0.07 -1.30 0.00 0.00 177.93 175.22 1pjz h ARG 160 N 0.00 0.37 0.00 5.26 0.11 0.37 -3.33 114.38 117.16 1pjz h ARG 160 Ca 0.00 -0.63 -0.02 0.00 0.10 0.00 0.00 59.98 59.43 1pjz h ARG 160 Cb 0.73 0.23 -0.00 0.00 1.11 0.00 0.00 29.97 32.05 1pjz h ARG 160 CO 0.00 1.28 -0.48 1.55 0.10 0.00 0.00 179.97 182.41 1pjz n VAL 161 N -3.58 1.17 0.00 0.08 3.14 0.13 -4.56 118.33 114.71 1pjz n VAL 161 Ca -0.15 0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 1pjz n VAL 161 Cb 1.06 -1.78 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 1pjz n VAL 161 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1pjz n MET 162 N -3.71 0.00 -3.51 1.45 2.81 0.67 -4.21 117.12 110.62 1pjz n MET 162 Ca -0.06 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.41 1pjz n MET 162 Cb 0.23 -1.19 -0.09 0.00 -0.71 0.00 0.00 33.22 31.47 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 -1.81 5.84 0.00 7.83 0.15 -0.54 -4.42 113.70 120.75 1pjz s SER 163 Ca 0.00 -1.57 0.00 0.00 0.70 0.00 0.00 55.95 55.08 1pjz s SER 163 Cb 0.00 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 1pjz s SER 163 CO 0.00 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.42 1pjz n GLY 164 N 5.02 -0.67 0.00 9.45 0.00 -1.26 -4.91 105.19 112.82 1pjz n GLY 164 Ca -0.11 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.76 1.61 5.03 -1.26 -5.11 115.26 111.77 1pjz n ASN 165 Ca 0.00 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.32 1pjz n ASN 165 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 38.63 1pjz n ASN 165 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 1pjz s TRP 166 N 0.00 -0.26 -0.90 3.10 -2.14 -1.26 -1.25 118.94 116.23 1pjz s TRP 166 Ca 0.00 0.65 -0.24 0.00 2.66 0.00 0.00 56.10 59.17 1pjz s TRP 166 Cb 0.00 0.03 0.05 0.00 -3.10 0.00 0.00 33.47 30.45 1pjz s TRP 166 CO 0.00 -0.18 1.34 -1.21 -2.66 0.00 0.00 176.95 174.25 1pjz s GLU 167 N 0.83 3.43 0.07 3.25 0.41 -0.33 -4.60 118.70 121.76 1pjz s GLU 167 Ca -0.06 -0.85 -0.26 0.00 -0.41 0.00 0.00 54.97 53.40 1pjz s GLU 167 Cb -0.07 -4.86 -0.06 0.00 -1.78 0.00 0.00 34.13 27.35 1pjz s GLU 167 CO -0.05 -2.14 0.79 0.14 -0.49 0.00 0.00 175.26 173.52 1pjz s VAL 168 N 5.03 4.65 0.01 2.63 -7.23 -1.22 -1.11 120.40 123.16 1pjz s VAL 168 Ca 0.40 1.70 0.02 0.00 -1.81 0.00 0.00 61.98 62.29 1pjz s VAL 168 Cb -0.04 -4.15 -0.01 0.00 0.56 0.00 0.00 36.38 32.74 1pjz s VAL 168 CO -0.00 0.38 -0.08 0.28 -0.31 0.00 0.00 175.10 175.37 1pjz s THR 169 N -0.20 0.59 0.28 5.32 -1.32 0.18 -4.91 115.64 115.58 1pjz s THR 169 Ca 0.39 -0.54 -0.29 0.00 -1.21 0.00 0.00 61.69 60.04 1pjz s THR 169 Cb -0.21 -0.54 -0.10 0.00 -1.51 0.00 0.00 72.50 70.14 1pjz s THR 169 CO 0.24 0.01 1.30 -1.59 -2.21 0.00 0.00 174.62 172.37 1pjz s LYS 170 N -0.58 4.39 0.12 7.08 0.00 -1.26 -0.69 119.74 128.80 1pjz s LYS 170 Ca -0.00 2.13 -0.25 0.00 0.00 0.00 0.00 55.97 57.84 1pjz s LYS 170 Cb -0.05 -3.13 0.07 0.00 0.00 0.00 0.00 37.83 34.73 1pjz s LYS 170 CO 0.00 -0.18 0.88 0.54 0.00 0.00 0.00 175.35 176.59 1pjz s VAL 171 N -0.64 0.00 0.00 1.79 0.11 0.60 -4.83 120.40 117.44 1pjz s VAL 171 Ca 0.52 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1pjz s VAL 171 Cb -0.38 -1.62 0.00 0.00 -1.53 0.00 0.00 36.38 32.85 1pjz s VAL 171 CO 0.46 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.84 1pjz n GLY 172 N -0.40 -1.73 0.00 6.54 0.00 -1.26 0.09 105.19 108.43 1pjz n GLY 172 Ca -0.08 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.60 1.52 -0.02 0.00 -0.07 -4.84 105.19 101.19 1pjz n GLY 173 Ca 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 1pjz n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pjz n GLN 174 N 0.00 1.23 -1.04 1.61 10.64 -1.26 -0.27 117.38 128.29 1pjz n GLN 174 Ca 0.00 -1.41 -0.02 0.00 -1.83 0.00 0.00 57.00 53.74 1pjz n GLN 174 Cb 0.00 0.20 -0.01 0.00 -0.86 0.00 0.00 30.24 29.57 1pjz n GLN 174 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1pjz n ASP 175 N -1.77 -4.30 -3.75 2.61 -0.08 -1.25 -4.85 116.55 103.15 1pjz n ASP 175 Ca -0.02 0.04 -0.31 0.00 -1.51 0.00 0.00 54.79 52.98 1pjz n ASP 175 Cb 0.25 -1.94 -0.07 0.00 2.34 0.00 0.00 41.12 41.70 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 -2.58 2.74 0.05 5.18 5.66 -1.25 -4.81 114.28 119.27 1pjz n THR 176 Ca -0.02 -5.22 -0.22 0.00 -3.05 0.00 0.00 64.05 55.54 1pjz n THR 176 Cb 0.24 -2.18 -0.15 0.00 -1.55 0.00 0.00 70.33 66.70 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 4.98 0.54 -0.46 1.09 7.12 -1.89 -3.23 115.31 123.46 1pjz h LEU 177 Ca 0.18 -0.90 -0.03 0.00 0.13 0.00 0.00 57.88 57.26 1pjz h LEU 177 Cb 0.70 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.64 1pjz h LEU 177 CO 0.88 1.77 0.17 -0.74 -0.13 0.00 0.00 178.44 180.40 1pjz h HIS 178 N 0.09 0.71 0.05 1.25 2.76 -1.96 -3.24 115.15 114.81 1pjz h HIS 178 Ca -0.36 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 57.75 1pjz h HIS 178 Cb 2.08 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 30.82 1pjz h HIS 178 CO 0.09 0.61 -0.06 1.03 -1.30 0.00 0.00 177.93 178.30 1pjz h SER 179 N 0.60 -0.16 -2.25 3.26 0.87 -1.93 -3.40 113.55 110.54 1pjz h SER 179 Ca 0.15 0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 60.17 1pjz h SER 179 Cb 0.21 0.05 0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1pjz h SER 179 CO -0.01 -0.07 1.19 -1.54 -0.53 0.00 0.00 176.83 175.87 1pjz n SER 180 N -2.65 3.94 -0.03 6.23 3.41 -1.22 -4.17 113.62 119.15 1pjz n SER 180 Ca -0.01 0.93 -0.13 0.00 -0.26 0.00 0.00 58.87 59.39 1pjz n SER 180 Cb 0.05 -1.48 -0.09 0.00 -0.26 0.00 0.00 64.21 62.44 1pjz n SER 180 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pjz h ALA 181 N 10.14 0.07 -0.91 7.33 0.00 -1.81 -2.79 119.26 131.28 1pjz h ALA 181 Ca -0.49 -0.26 0.26 0.00 0.00 0.00 0.00 54.91 54.42 1pjz h ALA 181 Cb 1.25 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1pjz h ALA 181 CO 0.94 -0.15 0.91 0.00 0.00 0.00 0.00 179.25 180.95 1pjz h ARG 182 N -0.32 0.00 -0.47 0.00 2.47 -1.92 1.33 114.38 115.47 1pjz h ARG 182 Ca 0.01 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.60 1pjz h ARG 182 Cb 0.52 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1pjz h ARG 182 CO 0.01 0.00 -0.22 0.78 0.56 0.00 0.00 179.97 181.10 1pjz h GLY 183 N 0.00 1.06 1.41 0.04 0.00 -1.75 0.28 103.07 104.11 1pjz h GLY 183 Ca 0.43 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1pjz h GLY 183 CO -0.00 0.86 -0.45 1.41 0.00 0.00 0.00 176.54 178.35 1pjz h LEU 184 N 0.84 0.00 0.00 3.11 3.38 0.15 0.47 115.31 123.27 1pjz h LEU 184 Ca 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1pjz h LEU 184 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1pjz h LEU 184 CO 0.07 0.07 -0.02 0.50 0.09 0.00 0.00 178.44 179.14 1pjz h LYS 185 N 0.00 0.01 0.17 1.13 3.11 -0.42 -3.36 116.57 117.22 1pjz h LYS 185 Ca 0.00 -0.02 -0.33 0.00 -2.81 0.00 0.00 60.65 57.49 1pjz h LYS 185 Cb 0.76 0.01 0.01 0.00 -1.00 0.00 0.00 32.23 32.01 1pjz h LYS 185 CO 0.00 0.94 -1.62 0.00 -2.81 0.00 0.00 179.45 175.97 1pjz h ALA 186 N 0.07 0.14 0.00 5.00 0.00 -1.05 -3.49 119.26 119.92 1pjz h ALA 186 Ca -0.00 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1pjz h ALA 186 Cb 0.95 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1pjz h ALA 186 CO 0.00 1.01 0.00 0.41 0.00 0.00 0.00 179.25 180.67 1pjz n GLY 187 N 1.76 0.84 0.10 0.00 0.00 0.59 -4.87 105.19 103.61 1pjz n GLY 187 Ca -0.20 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 0.16 1.04 0.99 -0.00 -0.53 -3.47 115.31 113.50 1pjz h LEU 188 Ca 0.00 -0.33 -0.24 0.00 -0.00 0.00 0.00 57.88 57.31 1pjz h LEU 188 Cb 0.00 -0.05 -0.09 0.00 -0.00 0.00 0.00 40.66 40.52 1pjz h LEU 188 CO 0.00 1.30 -0.22 -1.84 -0.00 0.00 0.00 178.44 177.68 1pjz n GLU 189 N -3.22 -1.28 0.00 1.13 0.28 -1.26 -4.55 120.64 111.74 1pjz n GLU 189 Ca -0.21 0.68 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 1pjz n GLU 189 Cb 1.05 -4.91 0.00 0.00 1.43 0.00 0.00 31.44 29.01 1pjz n GLU 189 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1pjz n ARG 190 N -1.79 0.00 -3.70 3.44 1.85 -1.26 -5.01 116.66 110.18 1pjz n ARG 190 Ca -0.12 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.59 1pjz n ARG 190 Cb 0.39 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.72 1pjz n ARG 190 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pjz s MET 191 N -0.03 0.77 -0.17 2.89 0.23 -1.26 -4.87 119.30 116.86 1pjz s MET 191 Ca 0.00 -0.09 -0.27 0.00 -1.03 0.00 0.00 55.69 54.29 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 -0.22 0.94 0.34 -2.03 0.00 0.00 175.02 174.04 1pjz s ASP 192 N -1.32 7.07 -0.28 -1.18 2.15 -1.26 -3.89 116.67 117.95 1pjz s ASP 192 Ca -0.13 1.33 -0.05 0.00 0.43 0.00 0.00 52.55 54.13 1pjz s ASP 192 Cb -0.04 -2.51 0.01 0.00 -0.30 0.00 0.00 42.92 40.09 1pjz s ASP 192 CO 0.05 -0.49 0.04 -0.70 -0.17 0.00 0.00 175.17 173.91 1pjz s GLU 193 N 2.42 3.00 0.23 4.34 2.12 0.63 -1.19 118.70 130.25 1pjz s GLU 193 Ca 0.43 -0.90 -0.08 0.00 0.36 0.00 0.00 54.97 54.78 1pjz s GLU 193 Cb -0.17 -3.27 -0.06 0.00 0.26 0.00 0.00 34.13 30.89 1pjz s GLU 193 CO 0.12 -0.44 0.51 -1.01 -0.54 0.00 0.00 175.26 173.90 1pjz s HIS 194 N 1.45 3.45 0.02 5.30 3.76 0.14 -0.89 115.29 128.51 1pjz s HIS 194 Ca 0.02 0.75 -0.01 0.00 -0.15 0.00 0.00 55.06 55.67 1pjz s HIS 194 Cb -0.17 -2.17 -0.02 0.00 1.11 0.00 0.00 32.58 31.33 1pjz s HIS 194 CO 0.01 0.28 -0.01 0.08 -0.85 0.00 0.00 174.74 174.24 1pjz s VAL 195 N -1.85 0.11 -0.11 -0.90 1.01 0.11 0.46 120.40 119.23 1pjz s VAL 195 Ca 0.45 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 1pjz s VAL 195 Cb -0.11 -0.31 0.06 0.00 0.00 0.00 0.00 36.38 36.02 1pjz s VAL 195 CO 0.24 -0.50 0.21 -0.31 0.00 0.00 0.00 175.10 174.74 1pjz s TYR 196 N -1.52 -0.29 -0.44 5.22 2.02 -0.43 -0.29 117.35 121.62 1pjz s TYR 196 Ca -0.15 0.74 -0.26 0.00 -0.37 0.00 0.00 57.07 57.02 1pjz s TYR 196 Cb -0.09 -0.17 0.02 0.00 -0.40 0.00 0.00 41.96 41.32 1pjz s TYR 196 CO -0.01 -0.33 0.97 0.54 -1.57 0.00 0.00 175.55 175.15 1pjz s VAL 197 N 2.35 4.45 -0.32 0.71 0.11 0.13 -0.94 120.40 126.89 1pjz s VAL 197 Ca 0.03 0.96 -0.04 0.00 -2.93 0.00 0.00 61.98 60.00 1pjz s VAL 197 Cb -0.12 -4.44 0.05 0.00 -1.53 0.00 0.00 36.38 30.33 1pjz s VAL 197 CO -0.07 -0.79 0.05 -0.76 -3.33 0.00 0.00 175.10 170.20 1pjz s LEU 198 N 3.82 4.14 -0.62 2.54 1.02 0.11 0.48 118.68 130.17 1pjz s LEU 198 Ca 0.40 -1.25 -0.23 0.00 0.02 0.00 0.00 54.13 53.06 1pjz s LEU 198 Cb -0.10 -1.78 0.06 0.00 0.02 0.00 0.00 46.19 44.39 1pjz s LEU 198 CO 0.25 -0.30 0.95 -0.70 0.02 0.00 0.00 176.35 176.57 1pjz s GLU 199 N 1.31 3.19 -0.40 1.70 2.12 -0.27 0.48 118.70 126.83 1pjz s GLU 199 Ca -0.03 -0.63 -0.28 0.00 0.36 0.00 0.00 54.97 54.39 1pjz s GLU 199 Cb -0.20 -4.16 -0.03 0.00 0.26 0.00 0.00 34.13 30.00 1pjz s GLU 199 CO 0.00 -1.68 1.98 0.50 -0.54 0.00 0.00 175.26 175.52 1pjz s ARG 200 N 4.00 2.95 0.00 4.30 3.00 0.16 -1.18 118.95 132.18 1pjz s ARG 200 Ca 0.25 1.35 0.28 0.00 -1.00 0.00 0.00 55.73 56.61 1pjz s ARG 200 Cb -0.15 -4.33 1.04 0.00 0.00 0.00 0.00 34.95 31.51 1pjz s ARG 200 CO 0.13 -2.31 1.74 1.33 0.00 0.00 0.00 175.30 176.19