#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 -0.14 1.57 7.27 -1.26 -4.43 117.38 120.39 1pjz n GLN 2 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1pjz n GLN 2 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 1pjz n GLN 2 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 1pjz h SER 3 N 0.00 -0.93 -2.44 1.69 0.02 -2.02 -3.35 113.55 106.53 1pjz h SER 3 Ca 0.00 0.13 -0.57 0.00 -0.84 0.00 0.00 61.79 60.51 1pjz h SER 3 Cb 0.00 0.40 -0.38 0.00 0.14 0.00 0.00 62.40 62.56 1pjz h SER 3 CO 0.00 -0.14 -0.90 -1.83 -1.14 0.00 0.00 176.83 172.82 1pjz s GLU 4 N -4.17 0.72 -0.53 3.45 -1.05 -1.26 -5.03 118.70 110.84 1pjz s GLU 4 Ca -0.06 -1.68 0.05 0.00 -0.15 0.00 0.00 54.97 53.13 1pjz s GLU 4 Cb 0.04 -1.32 0.18 0.00 -0.44 0.00 0.00 34.13 32.60 1pjz s GLU 4 CO 0.28 -1.30 0.44 1.55 0.95 0.00 0.00 175.26 177.18 1pjz n VAL 5 N 3.46 0.09 -3.25 1.83 3.14 -1.26 -4.77 118.33 117.57 1pjz n VAL 5 Ca 0.21 -4.11 -0.15 0.00 -2.96 0.00 0.00 64.34 57.32 1pjz n VAL 5 Cb 0.43 -1.90 0.02 0.00 -1.06 0.00 0.00 33.84 31.32 1pjz n VAL 5 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1pjz n ASN 6 N 2.26 -5.96 -0.33 6.55 5.03 -0.77 -3.44 115.26 118.59 1pjz n ASN 6 Ca 0.26 0.17 0.18 0.00 0.87 0.00 0.00 54.58 56.06 1pjz n ASN 6 Cb 0.43 -1.54 0.35 0.00 -1.02 0.00 0.00 39.78 38.00 1pjz n ASN 6 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1pjz n LYS 7 N 0.70 -0.07 -0.01 3.52 0.00 -1.26 0.20 118.16 121.24 1pjz n LYS 7 Ca -0.03 1.43 -0.11 0.00 -0.00 0.00 0.00 58.31 59.59 1pjz n LYS 7 Cb 0.56 -2.33 -0.06 0.00 -0.00 0.00 0.00 35.03 33.20 1pjz n LYS 7 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1pjz h ASP 8 N 0.00 0.12 -0.01 -5.58 3.04 -1.97 0.41 116.42 112.43 1pjz h ASP 8 Ca 0.64 -0.11 0.01 0.00 -3.24 0.00 0.00 57.03 54.33 1pjz h ASP 8 Cb 1.42 -0.03 -0.02 0.00 -1.04 0.00 0.00 39.33 39.66 1pjz h ASP 8 CO -0.88 0.19 -0.23 0.25 -2.04 0.00 0.00 179.24 176.53 1pjz h LEU 9 N 0.03 -0.72 -1.62 0.15 7.12 0.20 0.97 115.31 121.45 1pjz h LEU 9 Ca 0.03 0.08 0.12 0.00 0.13 0.00 0.00 57.88 58.24 1pjz h LEU 9 Cb 0.11 0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 40.47 1pjz h LEU 9 CO -0.00 -0.22 0.45 0.06 -0.13 0.00 0.00 178.44 178.59 1pjz h GLN 10 N -0.29 0.39 0.00 1.25 3.07 -0.98 0.27 115.11 118.83 1pjz h GLN 10 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1pjz h GLN 10 Cb 0.31 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.78 1pjz h GLN 10 CO -0.16 0.26 0.00 0.94 0.09 0.00 0.00 178.83 179.96 1pjz n GLN 11 N -4.47 0.00 -0.25 0.06 7.27 0.14 -0.99 117.38 119.14 1pjz n GLN 11 Ca 0.12 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.14 1pjz n GLN 11 Cb 0.44 -0.73 0.01 0.00 2.41 0.00 0.00 30.24 32.38 1pjz n GLN 11 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 1pjz h TYR 12 N 0.00 -0.99 -0.10 3.69 0.05 0.89 0.25 116.97 120.75 1pjz h TYR 12 Ca 0.00 0.08 0.02 0.00 0.05 0.00 0.00 58.73 58.89 1pjz h TYR 12 Cb 0.00 0.54 -0.05 0.00 1.01 0.00 0.00 36.73 38.22 1pjz h TYR 12 CO 0.00 -0.39 -0.45 2.35 -1.05 0.00 0.00 178.16 178.62 1pjz h TRP 13 N -0.12 -1.34 -0.82 4.88 2.91 -0.57 2.35 115.95 123.24 1pjz h TRP 13 Ca 0.26 0.05 0.20 0.00 1.13 0.00 0.00 58.89 60.53 1pjz h TRP 13 Cb 0.56 0.60 -0.14 0.00 -0.51 0.00 0.00 29.16 29.67 1pjz h TRP 13 CO -0.70 -0.45 0.06 0.77 -1.03 0.00 0.00 178.44 177.08 1pjz h SER 14 N -0.49 -0.29 0.72 2.65 0.02 0.68 1.64 113.55 118.48 1pjz h SER 14 Ca 0.02 0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 1pjz h SER 14 Cb 0.56 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 1pjz h SER 14 CO -0.35 -0.20 -0.35 0.28 -1.14 0.00 0.00 176.83 175.07 1pjz h SER 15 N 0.12 0.00 -0.25 3.07 0.02 0.17 -2.96 113.55 113.71 1pjz h SER 15 Ca 0.47 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.39 1pjz h SER 15 Cb 0.88 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 1pjz h SER 15 CO -0.70 0.35 0.05 -0.07 -1.14 0.00 0.00 176.83 175.32 1pjz h LEU 16 N 0.00 0.39 -1.66 5.07 -0.00 1.57 -3.47 115.31 117.21 1pjz h LEU 16 Ca -0.00 -0.24 -0.27 0.00 -0.00 0.00 0.00 57.88 57.36 1pjz h LEU 16 Cb 0.80 -0.10 0.14 0.00 -0.00 0.00 0.00 40.66 41.49 1pjz h LEU 16 CO 0.04 0.53 -0.62 -3.20 -0.00 0.00 0.00 178.44 175.19 1pjz n ASN 17 N -4.70 -2.25 -4.74 -0.43 5.15 0.17 -4.93 115.26 103.52 1pjz n ASN 17 Ca -0.03 -0.50 -0.39 0.00 -0.60 0.00 0.00 54.58 53.06 1pjz n ASN 17 Cb 0.19 -4.26 0.04 0.00 -0.53 0.00 0.00 39.78 35.21 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 -3.61 3.61 -1.13 3.44 0.31 -1.26 -4.86 118.33 114.83 1pjz n VAL 18 Ca -0.22 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.25 1pjz n VAL 18 Cb 0.63 -1.66 0.01 0.00 -0.91 0.00 0.00 33.84 31.91 1pjz n VAL 18 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1pjz n VAL 19 N -0.90 0.06 -2.31 2.52 0.24 -1.26 -4.73 118.33 111.95 1pjz n VAL 19 Ca 0.10 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.54 1pjz n VAL 19 Cb 0.44 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.78 1pjz n VAL 19 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1pjz s PRO 20 N -0.90 3.10 0.00 7.34 0.04 -1.26 -2.05 135.00 141.26 1pjz s PRO 20 Ca 0.52 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1pjz s PRO 20 Cb -0.46 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 29.87 1pjz s PRO 20 CO 0.59 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.85 1pjz n GLY 21 N 5.41 0.69 2.91 0.56 0.00 -1.15 -5.01 105.19 108.60 1pjz n GLY 21 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.18 -4.03 -2.66 4.61 0.00 -0.87 -2.65 120.51 113.73 1pjz n ALA 22 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1pjz n ALA 22 Cb 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1pjz n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pjz s ARG 23 N -1.35 4.28 -0.32 0.00 1.81 -0.71 -1.34 118.95 121.31 1pjz s ARG 23 Ca 0.46 1.16 -0.08 0.00 -1.72 0.00 0.00 55.73 55.55 1pjz s ARG 23 Cb -0.33 -3.60 0.02 0.00 -0.45 0.00 0.00 34.95 30.59 1pjz s ARG 23 CO 0.68 -0.46 0.12 0.08 -0.68 0.00 0.00 175.30 175.04 1pjz s VAL 24 N 2.60 4.09 -0.07 3.52 1.01 0.46 -1.73 120.40 130.28 1pjz s VAL 24 Ca 0.41 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 1pjz s VAL 24 Cb -0.16 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1pjz s VAL 24 CO 0.10 -0.05 0.42 -0.22 0.00 0.00 0.00 175.10 175.35 1pjz s LEU 25 N 1.49 4.36 -0.33 3.92 1.98 -0.43 -0.47 118.68 129.20 1pjz s LEU 25 Ca 0.02 0.83 0.00 0.00 -2.89 0.00 0.00 54.13 52.09 1pjz s LEU 25 Cb -0.18 -2.60 0.11 0.00 0.66 0.00 0.00 46.19 44.18 1pjz s LEU 25 CO 0.04 0.16 0.12 0.68 -1.89 0.00 0.00 176.35 175.45 1pjz s VAL 26 N -0.14 1.07 -0.39 1.68 -7.23 -1.18 -0.27 120.40 113.93 1pjz s VAL 26 Ca 0.23 -1.67 -0.29 0.00 -1.81 0.00 0.00 61.98 58.44 1pjz s VAL 26 Cb -0.15 -1.80 0.01 0.00 0.56 0.00 0.00 36.38 35.00 1pjz s VAL 26 CO 0.11 -0.71 1.40 -2.16 -0.31 0.00 0.00 175.10 173.42 1pjz s PRO 27 N 1.34 3.62 -0.07 4.82 0.04 -1.24 -1.52 135.00 141.99 1pjz s PRO 27 Ca 0.11 0.99 -0.01 0.00 0.04 0.00 0.00 61.00 62.13 1pjz s PRO 27 Cb -0.19 -4.01 0.01 0.00 0.04 0.00 0.00 34.50 30.36 1pjz s PRO 27 CO -0.19 -1.50 0.02 1.47 0.04 0.00 0.00 177.00 176.84 1pjz n LEU 28 N 8.65 -0.03 -0.06 -3.56 -0.00 -0.26 -4.32 117.00 117.42 1pjz n LEU 28 Ca 0.16 0.39 -0.00 0.00 -0.00 0.00 0.00 56.01 56.56 1pjz n LEU 28 Cb 0.48 -0.93 0.29 0.00 -0.00 0.00 0.00 43.42 43.26 1pjz n LEU 28 CO 0.69 0.00 1.02 0.00 -0.00 0.00 0.00 177.39 179.11 1pjz n GLY 30 N -1.04 -0.62 0.00 0.00 0.00 -1.26 -4.92 105.19 97.34 1pjz n GLY 30 Ca 0.03 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.59 3.54 0.00 1.61 3.00 -1.26 -4.99 118.16 116.47 1pjz n LYS 31 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 1pjz n LYS 31 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.43 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 0.00 0.00 -0.03 3.14 7.64 -1.26 -4.88 113.62 118.23 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 0.24 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.77 0.76 1.43 1.08 -1.96 0.77 115.11 117.96 1pjz h GLN 33 Ca 0.00 -0.57 -0.04 0.00 -1.45 0.00 0.00 58.65 56.59 1pjz h GLN 33 Cb 0.00 0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1pjz h GLN 33 CO 0.00 1.19 -0.37 0.22 -0.95 0.00 0.00 178.83 178.93 1pjz h ASP 34 N 0.55 -0.86 -0.92 1.46 3.58 -1.91 1.34 116.42 119.65 1pjz h ASP 34 Ca -0.03 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1pjz h ASP 34 Cb 1.30 0.22 -0.04 0.00 1.72 0.00 0.00 39.33 42.53 1pjz h ASP 34 CO 0.14 -0.57 0.56 0.00 -2.88 0.00 0.00 179.24 176.50 1pjz h MET 35 N -1.11 1.24 -0.45 0.28 -0.00 -1.90 0.11 114.93 113.09 1pjz h MET 35 Ca -0.10 -0.11 -0.05 0.00 -0.00 0.00 0.00 59.70 59.44 1pjz h MET 35 Cb 0.80 -0.26 -0.02 0.00 -0.00 0.00 0.00 31.60 32.11 1pjz h MET 35 CO 0.17 0.86 0.09 1.03 -0.00 0.00 0.00 176.91 179.07 1pjz h SER 36 N 1.26 0.64 0.12 -0.10 0.87 -0.71 0.39 113.55 116.01 1pjz h SER 36 Ca 0.33 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1pjz h SER 36 Cb -0.07 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1pjz h SER 36 CO -0.06 0.65 -0.06 -0.25 -0.53 0.00 0.00 176.83 176.58 1pjz h TRP 37 N 0.67 -0.14 0.23 2.24 7.01 0.69 0.02 115.95 126.67 1pjz h TRP 37 Ca 0.15 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 1pjz h TRP 37 Cb 0.28 0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1pjz h TRP 37 CO 0.01 0.23 -0.15 -0.07 -2.79 0.00 0.00 178.44 175.68 1pjz h LEU 38 N -0.55 -0.38 -0.96 0.65 3.38 -0.70 0.39 115.31 117.14 1pjz h LEU 38 Ca -0.02 0.02 0.30 0.00 0.09 0.00 0.00 57.88 58.28 1pjz h LEU 38 Cb 0.44 0.11 -0.16 0.00 0.09 0.00 0.00 40.66 41.15 1pjz h LEU 38 CO 0.03 -0.23 0.36 0.28 0.09 0.00 0.00 178.44 178.97 1pjz h SER 39 N -0.36 0.14 -0.29 -0.43 0.02 -0.33 1.69 113.55 113.99 1pjz h SER 39 Ca -0.03 0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 1pjz h SER 39 Cb 0.29 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1pjz h SER 39 CO 0.03 -0.23 -0.07 1.23 -1.14 0.00 0.00 176.83 176.64 1pjz h GLY 40 N 0.17 0.72 2.00 -3.77 0.00 -0.57 -2.19 103.07 99.44 1pjz h GLY 40 Ca 0.67 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1pjz h GLY 40 CO -0.70 0.46 -0.05 -1.61 0.00 0.00 0.00 176.54 174.64 1pjz h GLN 41 N 0.62 0.00 -0.76 4.80 5.75 0.65 -3.48 115.11 122.69 1pjz h GLN 41 Ca 0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1pjz h GLN 41 Cb 0.49 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1pjz h GLN 41 CO 0.03 0.05 0.00 0.41 -2.65 0.00 0.00 178.83 176.67 1pjz n GLY 42 N 1.04 0.36 3.29 2.39 0.00 0.28 -4.98 105.19 107.57 1pjz n GLY 42 Ca 0.04 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.32 0.58 -1.17 1.61 1.51 -1.19 -2.92 117.35 115.45 1pjz s TYR 43 Ca 0.00 -0.94 -0.14 0.00 -1.01 0.00 0.00 57.07 54.99 1pjz s TYR 43 Cb 0.00 -0.20 0.18 0.00 -0.11 0.00 0.00 41.96 41.83 1pjz s TYR 43 CO 0.00 -0.67 1.36 -1.01 -1.11 0.00 0.00 175.55 174.12 1pjz s HIS 44 N -4.01 3.57 -0.43 2.71 3.76 -0.45 -4.56 115.29 115.89 1pjz s HIS 44 Ca 0.21 -2.14 -0.29 0.00 -0.15 0.00 0.00 55.06 52.69 1pjz s HIS 44 Cb 0.05 -4.25 0.01 0.00 1.11 0.00 0.00 32.58 29.50 1pjz s HIS 44 CO 0.02 -1.34 1.38 0.08 -0.85 0.00 0.00 174.74 174.02 1pjz s VAL 45 N 1.31 3.94 -0.18 -0.90 1.01 -1.26 -0.40 120.40 123.91 1pjz s VAL 45 Ca 0.40 0.95 -0.03 0.00 0.00 0.00 0.00 61.98 63.30 1pjz s VAL 45 Cb -0.04 -4.26 0.06 0.00 0.00 0.00 0.00 36.38 32.14 1pjz s VAL 45 CO -0.02 -0.80 0.05 0.54 0.00 0.00 0.00 175.10 174.87 1pjz s VAL 46 N 5.33 0.32 0.07 2.92 0.11 0.38 -0.34 120.40 129.20 1pjz s VAL 46 Ca 0.59 -0.41 -0.01 0.00 -2.93 0.00 0.00 61.98 59.22 1pjz s VAL 46 Cb -0.13 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 1pjz s VAL 46 CO 0.33 -0.22 0.11 0.61 -3.33 0.00 0.00 175.10 172.60 1pjz n GLY 47 N 5.13 2.82 3.23 6.54 0.00 0.14 -3.08 105.19 119.96 1pjz n GLY 47 Ca -0.08 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.77 1.30 -0.10 4.61 0.00 -0.58 -1.10 121.76 124.12 1pjz s ALA 48 Ca 0.06 -1.70 0.01 0.00 0.00 0.00 0.00 51.96 50.33 1pjz s ALA 48 Cb -0.00 1.12 0.02 0.00 0.00 0.00 0.00 23.12 24.26 1pjz s ALA 48 CO 0.04 -0.51 -0.13 -2.00 0.00 0.00 0.00 175.76 173.17 1pjz s GLU 49 N -4.08 1.92 -1.32 0.00 -6.30 -0.47 -1.10 118.70 107.35 1pjz s GLU 49 Ca 0.35 -0.45 -0.08 0.00 -2.50 0.00 0.00 54.97 52.29 1pjz s GLU 49 Cb 0.07 -1.69 0.13 0.00 0.00 0.00 0.00 34.13 32.64 1pjz s GLU 49 CO 0.10 -0.09 2.16 1.28 0.02 0.00 0.00 175.26 178.74 1pjz n LEU 50 N 4.27 7.38 -3.30 2.70 7.99 -1.18 0.46 117.00 135.32 1pjz n LEU 50 Ca -0.19 -4.72 -0.06 0.00 -0.01 0.00 0.00 56.01 51.03 1pjz n LEU 50 Cb 0.51 -1.44 -0.06 0.00 -0.11 0.00 0.00 43.42 42.32 1pjz n LEU 50 CO 0.23 1.70 -0.01 -0.55 -1.51 0.00 0.00 177.39 177.25 1pjz s SER 51 N 0.78 -0.09 -0.03 -1.43 0.15 0.71 -4.97 113.70 108.81 1pjz s SER 51 Ca 0.48 0.24 -0.16 0.00 0.70 0.00 0.00 55.95 57.21 1pjz s SER 51 Cb 0.14 1.34 -0.09 0.00 -1.71 0.00 0.00 66.02 65.70 1pjz s SER 51 CO -0.04 -0.30 0.66 -0.08 1.20 0.00 0.00 173.24 174.68 1pjz h GLU 52 N 8.14 -0.54 -0.99 5.44 4.81 -1.87 -2.45 114.58 127.12 1pjz h GLU 52 Ca -0.18 0.04 0.27 0.00 -0.13 0.00 0.00 59.36 59.36 1pjz h GLU 52 Cb 1.15 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 1pjz h GLU 52 CO 0.27 -0.36 0.68 0.00 -0.73 0.00 0.00 179.01 178.86 1pjz h ALA 53 N -1.19 2.63 -0.02 2.92 0.00 -1.96 0.36 119.26 121.99 1pjz h ALA 53 Ca -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pjz h ALA 53 Cb 0.43 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1pjz h ALA 53 CO 0.09 -0.94 0.01 0.00 0.00 0.00 0.00 179.25 178.41 1pjz h ALA 54 N 1.55 0.03 -0.80 0.00 0.00 -1.96 0.61 119.26 118.69 1pjz h ALA 54 Ca 0.50 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.37 1pjz h ALA 54 Cb 1.66 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 1pjz h ALA 54 CO -0.11 -0.38 0.52 -0.39 0.00 0.00 0.00 179.25 178.90 1pjz h VAL 55 N -0.14 1.08 -0.09 0.00 -1.51 0.14 0.12 116.25 115.85 1pjz h VAL 55 Ca 0.01 -0.31 -0.01 0.00 -1.23 0.00 0.00 66.70 65.15 1pjz h VAL 55 Cb 0.18 0.08 -0.00 0.00 -2.13 0.00 0.00 31.29 29.42 1pjz h VAL 55 CO -0.00 0.17 0.02 -0.33 -1.23 0.00 0.00 177.57 176.20 1pjz h GLU 56 N 0.91 0.15 0.00 5.19 5.08 -0.70 -0.02 114.58 125.19 1pjz h GLU 56 Ca 0.33 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1pjz h GLU 56 Cb 0.15 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1pjz h GLU 56 CO -0.11 0.34 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.03 1pjz h ARG 57 N -0.07 0.00 -0.05 2.33 9.65 -0.08 -0.35 114.38 125.82 1pjz h ARG 57 Ca 0.03 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.69 1pjz h ARG 57 Cb 0.26 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.84 1pjz h ARG 57 CO 0.00 0.12 -0.88 1.88 2.80 0.00 0.00 179.97 183.90 1pjz h TYR 58 N 0.00 0.75 -0.03 2.20 -1.99 -0.38 -0.34 116.97 117.18 1pjz h TYR 58 Ca -0.00 -0.37 -0.15 0.00 2.00 0.00 0.00 58.73 60.21 1pjz h TYR 58 Cb 0.23 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 1pjz h TYR 58 CO 0.00 1.18 -0.67 0.74 -0.00 0.00 0.00 178.16 179.42 1pjz h PHE 59 N 0.32 0.18 0.17 4.88 0.04 -0.21 -0.06 116.94 122.26 1pjz h PHE 59 Ca -0.07 -0.08 -0.30 0.00 2.80 0.00 0.00 57.97 60.32 1pjz h PHE 59 Cb 1.50 -0.03 0.02 0.00 2.20 0.00 0.00 35.95 39.64 1pjz h PHE 59 CO 0.07 0.76 -1.32 0.00 -0.60 0.00 0.00 178.31 177.22 1pjz h THR 60 N 0.09 1.38 -0.25 -1.55 1.03 -1.08 0.50 112.91 113.03 1pjz h THR 60 Ca -0.01 -2.79 -0.16 0.00 -0.01 0.00 0.00 66.41 63.44 1pjz h THR 60 Cb 1.19 2.91 0.00 0.00 -1.07 0.00 0.00 68.15 71.18 1pjz h THR 60 CO 0.10 0.83 -0.45 -0.33 -0.01 0.00 0.00 175.52 175.66 1pjz h GLU 61 N 0.14 0.75 0.15 0.00 4.39 -1.03 -3.24 114.58 115.75 1pjz h GLU 61 Ca -0.19 -0.47 -0.30 0.00 0.34 0.00 0.00 59.36 58.75 1pjz h GLU 61 Cb 2.01 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 30.72 1pjz h GLU 61 CO 0.24 1.09 -1.38 0.00 -1.16 0.00 0.00 179.01 177.80 1pjz h ARG 62 N 0.49 0.32 -0.81 2.33 3.08 -1.09 -3.48 114.38 115.21 1pjz h ARG 62 Ca 0.02 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1pjz h ARG 62 Cb 1.05 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1pjz h ARG 62 CO 0.10 1.24 0.00 0.41 -1.07 0.00 0.00 179.97 180.65 1pjz n GLY 63 N 1.61 0.89 0.80 0.04 0.00 0.17 -4.87 105.19 103.84 1pjz n GLY 63 Ca -0.12 -0.67 0.03 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.54 -2.03 0.00 1.61 1.02 -0.79 -5.03 120.64 114.88 1pjz n GLU 64 Ca 0.00 1.60 0.00 0.00 -0.02 0.00 0.00 57.16 58.74 1pjz n GLU 64 Cb 0.47 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 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 -2.42 0.00 -0.06 3.49 6.02 -1.26 -5.12 117.38 118.02 1pjz n GLN 65 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.96 1pjz n GLN 65 Cb 0.28 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.55 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 -0.58 -3.52 -1.09 -0.04 -1.26 -5.01 135.00 123.50 1pjz n PRO 66 Ca 0.00 -0.08 -0.41 0.00 -0.04 0.00 0.00 63.50 62.97 1pjz n PRO 66 Cb 0.00 -0.07 -0.10 0.00 -0.04 0.00 0.00 33.50 33.29 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 -1.11 3.23 -0.28 0.54 2.46 -0.45 -4.96 115.29 114.73 1pjz s HIS 67 Ca 0.03 -0.37 -0.09 0.00 0.47 0.00 0.00 55.06 55.10 1pjz s HIS 67 Cb -0.00 -2.50 -0.03 0.00 -0.13 0.00 0.00 32.58 29.92 1pjz s HIS 67 CO 0.02 -0.45 0.13 0.42 -2.47 0.00 0.00 174.74 172.40 1pjz s ILE 68 N 1.70 4.70 0.11 0.89 -1.09 -1.26 -1.42 121.20 124.83 1pjz s ILE 68 Ca 0.06 -0.15 0.10 0.00 -2.23 0.00 0.00 60.65 58.43 1pjz s ILE 68 Cb -0.18 -3.27 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 1pjz s ILE 68 CO 0.10 0.23 -0.26 -0.89 -1.23 0.00 0.00 174.94 172.89 1pjz s THR 69 N 1.66 2.30 -0.07 2.92 2.01 -0.11 -4.97 115.64 119.38 1pjz s THR 69 Ca 0.06 -1.64 -0.08 0.00 0.31 0.00 0.00 61.69 60.35 1pjz s THR 69 Cb -0.16 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 1pjz s THR 69 CO 0.07 0.16 0.21 -0.94 -0.69 0.00 0.00 174.62 173.42 1pjz s SER 70 N -1.87 6.47 -0.40 3.53 1.04 -1.26 -0.66 113.70 120.54 1pjz s SER 70 Ca 0.14 0.54 0.02 0.00 0.48 0.00 0.00 55.95 57.13 1pjz s SER 70 Cb -0.10 -2.09 0.15 0.00 0.10 0.00 0.00 66.02 64.08 1pjz s SER 70 CO 0.05 0.35 0.28 -1.10 0.98 0.00 0.00 173.24 173.81 1pjz s GLN 71 N -1.27 0.88 3.16 4.02 -1.52 0.71 -4.95 119.66 120.70 1pjz s GLN 71 Ca 0.20 -1.84 0.00 0.00 -1.95 0.00 0.00 55.36 51.77 1pjz s GLN 71 Cb -0.13 -1.58 0.00 0.00 -0.22 0.00 0.00 33.01 31.08 1pjz s GLN 71 CO 0.09 -1.28 0.00 0.41 -0.25 0.00 0.00 175.29 174.26 1pjz n GLY 72 N 3.38 0.36 1.70 3.09 0.00 -1.26 0.35 105.19 112.83 1pjz n GLY 72 Ca 0.19 0.69 -0.17 0.00 0.00 0.00 0.00 46.02 46.73 1pjz n GLY 72 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pjz n ASP 73 N 6.94 4.32 -3.72 1.61 -0.08 -1.26 -4.99 116.55 119.37 1pjz n ASP 73 Ca 0.00 -3.78 -0.11 0.00 -1.51 0.00 0.00 54.79 49.39 1pjz n ASP 73 Cb 0.00 -0.62 -0.05 0.00 2.34 0.00 0.00 41.12 42.79 1pjz n ASP 73 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1pjz s PHE 74 N -3.48 0.65 0.18 -0.67 0.08 0.16 -5.04 117.98 109.85 1pjz s PHE 74 Ca 0.51 -0.98 0.03 0.00 0.12 0.00 0.00 56.93 56.61 1pjz s PHE 74 Cb 0.43 0.06 -0.05 0.00 -0.57 0.00 0.00 43.02 42.90 1pjz s PHE 74 CO 0.01 -1.04 -0.02 0.21 -0.10 0.00 0.00 175.22 174.29 1pjz s LYS 75 N -3.63 1.13 -0.16 0.44 2.20 -1.26 -0.21 119.74 118.25 1pjz s LYS 75 Ca 0.26 -1.54 -0.04 0.00 -0.36 0.00 0.00 55.97 54.29 1pjz s LYS 75 Cb -0.00 -0.39 0.07 0.00 -1.51 0.00 0.00 37.83 36.00 1pjz s LYS 75 CO 0.13 -0.09 0.15 0.14 -0.36 0.00 0.00 175.35 175.32 1pjz s VAL 76 N -3.56 -0.21 -0.40 4.02 -7.23 0.16 -1.03 120.40 112.15 1pjz s VAL 76 Ca 0.23 -0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 60.32 1pjz s VAL 76 Cb 0.05 -0.54 0.08 0.00 0.56 0.00 0.00 36.38 36.54 1pjz s VAL 76 CO 0.04 -0.14 0.21 -0.47 -0.31 0.00 0.00 175.10 174.42 1pjz s TYR 77 N 2.24 3.38 -0.18 2.82 5.04 0.68 -0.93 117.35 130.40 1pjz s TYR 77 Ca 0.04 -1.77 -0.12 0.00 -2.44 0.00 0.00 57.07 52.79 1pjz s TYR 77 Cb -0.15 -2.89 -0.05 0.00 0.35 0.00 0.00 41.96 39.22 1pjz s TYR 77 CO -0.09 -0.87 0.22 0.00 -1.34 0.00 0.00 175.55 173.47 1pjz s ALA 78 N 1.34 3.64 0.17 3.97 0.00 -0.51 -1.08 121.76 129.30 1pjz s ALA 78 Ca 0.03 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.46 1pjz s ALA 78 Cb -0.22 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1pjz s ALA 78 CO 0.00 0.14 0.27 0.00 0.00 0.00 0.00 175.76 176.17 1pjz s ALA 79 N 0.37 3.88 -0.52 0.00 0.00 -1.24 -1.34 121.76 122.90 1pjz s ALA 79 Ca 0.13 -1.12 -0.28 0.00 0.00 0.00 0.00 51.96 50.69 1pjz s ALA 79 Cb -0.12 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 21.33 1pjz s ALA 79 CO 0.01 0.46 1.48 -1.25 0.00 0.00 0.00 175.76 176.46 1pjz s PRO 80 N -3.38 3.30 0.00 0.00 0.04 -1.26 -3.39 135.00 130.31 1pjz s PRO 80 Ca 0.34 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1pjz s PRO 80 Cb -0.10 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1pjz s PRO 80 CO 0.28 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 175.80 1pjz n GLY 81 N 5.27 3.35 3.76 0.56 0.00 -1.26 -5.09 105.19 111.78 1pjz n GLY 81 Ca 0.14 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 1pjz n GLY 81 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pjz s ILE 82 N 0.00 4.30 -0.83 -0.61 -1.16 -1.22 -4.93 121.20 116.75 1pjz s ILE 82 Ca 0.00 -1.15 -0.02 0.00 -0.51 0.00 0.00 60.65 58.97 1pjz s ILE 82 Cb 0.00 -3.18 0.32 0.00 0.61 0.00 0.00 42.46 40.21 1pjz s ILE 82 CO 0.00 -0.09 2.09 -0.62 -2.81 0.00 0.00 174.94 173.50 1pjz n GLU 83 N -0.24 2.94 -3.66 3.50 4.71 0.54 -3.86 120.64 124.57 1pjz n GLU 83 Ca -0.09 -3.50 -0.39 0.00 -0.01 0.00 0.00 57.16 53.18 1pjz n GLU 83 Cb 0.55 -2.28 -0.12 0.00 -1.01 0.00 0.00 31.44 28.58 1pjz n GLU 83 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1pjz s ILE 84 N -4.74 4.53 -0.44 -3.67 -1.09 -1.24 0.25 121.20 114.80 1pjz s ILE 84 Ca 0.52 -0.51 -0.13 0.00 -2.23 0.00 0.00 60.65 58.30 1pjz s ILE 84 Cb 0.41 -3.34 0.07 0.00 -1.58 0.00 0.00 42.46 38.02 1pjz s ILE 84 CO -0.38 0.03 0.33 -1.66 -1.23 0.00 0.00 174.94 172.03 1pjz s TRP 85 N 1.59 3.28 0.33 3.97 1.48 -0.26 -3.69 118.94 125.64 1pjz s TRP 85 Ca 0.04 -1.18 -0.28 0.00 -1.06 0.00 0.00 56.10 53.62 1pjz s TRP 85 Cb -0.17 -3.03 -0.10 0.00 -1.16 0.00 0.00 33.47 29.01 1pjz s TRP 85 CO 0.06 -0.81 1.22 0.00 -4.06 0.00 0.00 176.95 173.36 1pjz n GLY 87 N 0.88 1.26 3.34 0.00 0.00 0.17 -0.23 105.19 110.61 1pjz n GLY 87 Ca 0.01 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 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 2.09 -0.35 1.61 -1.08 -0.19 -0.21 116.67 114.54 1pjz s ASP 88 Ca 0.00 -1.16 0.01 0.00 -0.52 0.00 0.00 52.55 50.88 1pjz s ASP 88 Cb 0.00 -0.05 0.11 0.00 -1.46 0.00 0.00 42.92 41.52 1pjz s ASP 88 CO 0.00 -0.42 0.12 0.12 0.52 0.00 0.00 175.17 175.51 1pjz s PHE 89 N -3.28 2.32 0.00 -5.34 5.36 -1.26 -4.45 117.98 111.34 1pjz s PHE 89 Ca 0.26 -2.24 0.00 0.00 -0.96 0.00 0.00 56.93 53.99 1pjz s PHE 89 Cb 0.04 -2.09 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 1pjz s PHE 89 CO 0.08 -0.87 0.00 1.97 -1.46 0.00 0.00 175.22 174.94 1pjz n PHE 90 N 4.38 0.00 -2.56 10.12 -1.74 -1.26 -5.02 117.46 121.38 1pjz n PHE 90 Ca 0.02 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.90 1pjz n PHE 90 Cb 0.40 0.00 0.02 0.00 1.52 0.00 0.00 39.48 41.42 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1pjz n ALA 91 N 0.00 -1.37 0.00 1.98 0.00 -1.26 -4.98 120.51 114.88 1pjz n ALA 91 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1pjz n ALA 91 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.34 0.13 -1.61 0.00 -0.00 -1.26 -5.10 117.00 108.82 1pjz n LEU 92 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.91 1pjz n LEU 92 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1pjz n LEU 92 CO -0.05 0.02 0.01 0.41 -0.00 0.00 0.00 177.39 177.78 1pjz n THR 93 N -1.06 -2.64 0.09 1.47 -1.04 -1.26 -4.65 114.28 105.18 1pjz n THR 93 Ca 0.00 0.06 0.05 0.00 -2.04 0.00 0.00 64.05 62.12 1pjz n THR 93 Cb 0.05 -4.22 0.27 0.00 -1.82 0.00 0.00 70.33 64.61 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 -0.54 0.86 -0.04 2.41 0.00 -1.20 -0.93 120.51 121.06 1pjz n ALA 94 Ca 0.01 0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 1pjz n ALA 94 Cb 0.08 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.01 -0.09 0.00 2.43 0.46 0.44 114.38 117.60 1pjz h ARG 95 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1pjz h ARG 95 Cb 0.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1pjz h ARG 95 CO 0.00 0.76 0.01 -0.44 -1.51 0.00 0.00 179.97 178.79 1pjz h ASP 96 N -0.84 0.15 -0.40 -3.80 5.19 -1.29 -0.26 116.42 115.17 1pjz h ASP 96 Ca -0.00 -0.27 -0.07 0.00 -0.62 0.00 0.00 57.03 56.07 1pjz h ASP 96 Cb 0.78 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.24 1pjz h ASP 96 CO 0.00 0.38 -0.02 0.16 -3.12 0.00 0.00 179.24 176.64 1pjz h ILE 97 N -0.08 1.26 0.00 0.35 -0.00 -1.45 -3.33 117.51 114.27 1pjz h ILE 97 Ca 0.03 -1.05 0.00 0.00 -0.00 0.00 0.00 64.86 63.84 1pjz h ILE 97 Cb 0.29 1.14 0.00 0.00 -0.00 0.00 0.00 36.82 38.25 1pjz h ILE 97 CO 0.00 0.35 0.00 0.61 -0.00 0.00 0.00 178.15 179.12 1pjz n GLY 98 N -0.33 -2.88 5.15 0.16 0.00 0.16 -4.59 105.19 102.86 1pjz n GLY 98 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1pjz n GLY 98 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pjz n HIS 99 N -1.22 0.00 -3.86 1.61 8.25 -0.12 -4.25 115.22 115.63 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 -0.15 0.00 1.12 0.00 0.00 29.99 30.96 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 3.40 0.00 -3.74 0.00 0.00 -0.22 -1.74 120.51 118.21 1pjz n ALA 101 Ca -0.17 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.36 1pjz n ALA 101 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.03 1pjz n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz n ALA 102 N -0.59 -2.39 -3.64 0.00 0.00 -0.70 -0.15 120.51 113.04 1pjz n ALA 102 Ca 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 53.44 52.61 1pjz n ALA 102 Cb 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 1pjz n ALA 102 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1pjz s PHE 103 N -2.68 -0.94 -0.33 0.00 -0.12 -0.25 -1.31 117.98 112.35 1pjz s PHE 103 Ca 0.20 1.97 -0.14 0.00 -0.05 0.00 0.00 56.93 58.91 1pjz s PHE 103 Cb -0.02 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.86 1pjz s PHE 103 CO 0.03 -0.46 0.32 -0.47 -0.05 0.00 0.00 175.22 174.59 1pjz s TYR 104 N 1.22 3.22 0.10 3.49 5.04 0.62 -0.76 117.35 130.28 1pjz s TYR 104 Ca -0.07 -0.01 -0.08 0.00 -2.44 0.00 0.00 57.07 54.47 1pjz s TYR 104 Cb -0.05 -2.60 -0.06 0.00 0.35 0.00 0.00 41.96 39.61 1pjz s TYR 104 CO -0.13 -0.37 0.39 0.34 -1.34 0.00 0.00 175.55 174.43 1pjz s ASP 105 N 1.72 6.58 0.46 4.32 -1.08 0.37 -3.70 116.67 125.34 1pjz s ASP 105 Ca 0.10 0.71 0.07 0.00 -0.52 0.00 0.00 52.55 52.92 1pjz s ASP 105 Cb -0.17 -2.14 0.01 0.00 -1.46 0.00 0.00 42.92 39.16 1pjz s ASP 105 CO 0.11 0.13 0.44 0.00 0.52 0.00 0.00 175.17 176.38 1pjz s ARG 106 N -2.16 2.47 -1.06 4.34 1.04 -1.26 -1.16 118.95 121.16 1pjz s ARG 106 Ca 0.36 -1.62 -0.22 0.00 -1.04 0.00 0.00 55.73 53.20 1pjz s ARG 106 Cb -0.13 -2.38 0.03 0.00 -2.04 0.00 0.00 34.95 30.43 1pjz s ARG 106 CO 0.20 -0.36 1.60 0.00 -0.04 0.00 0.00 175.30 176.70 1pjz s ALA 107 N -2.55 2.63 0.00 7.88 0.00 -0.01 -4.45 121.76 125.27 1pjz s ALA 107 Ca 0.47 -2.27 0.00 0.00 0.00 0.00 0.00 51.96 50.16 1pjz s ALA 107 Cb -0.04 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.52 1pjz s ALA 107 CO 0.28 -3.80 0.00 0.00 0.00 0.00 0.00 175.76 172.24 1pjz n ALA 108 N 9.78 1.99 0.22 0.00 0.00 -1.26 -4.67 120.51 126.58 1pjz n ALA 108 Ca 0.38 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.89 1pjz n ALA 108 Cb 0.49 0.45 0.53 0.00 0.00 0.00 0.00 19.45 20.92 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 -1.91 -0.59 114.93 112.43 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 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.55 1pjz h MET 109 CO 0.00 0.23 0.00 0.44 -0.00 0.00 0.00 176.91 177.58 1pjz n ILE 110 N -3.90 0.71 -0.02 -0.10 -0.00 -1.26 -2.10 119.36 112.70 1pjz n ILE 110 Ca -0.02 0.12 0.05 0.00 -0.00 0.00 0.00 62.75 62.90 1pjz n ILE 110 Cb 0.32 -0.91 -0.14 0.00 -0.00 0.00 0.00 39.64 38.91 1pjz n ILE 110 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1pjz n ALA 111 N -1.63 2.36 -2.27 -1.28 0.00 -0.28 0.23 120.51 117.63 1pjz n ALA 111 Ca 0.04 -0.70 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 1pjz n ALA 111 Cb 0.26 -0.66 0.01 0.00 0.00 0.00 0.00 19.45 19.06 1pjz n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pjz s LEU 112 N -4.97 3.66 0.00 0.00 1.02 -0.89 -4.95 118.68 112.55 1pjz s LEU 112 Ca -0.07 0.07 -0.06 0.00 0.02 0.00 0.00 54.13 54.09 1pjz s LEU 112 Cb 0.11 -2.97 0.08 0.00 0.02 0.00 0.00 46.19 43.43 1pjz s LEU 112 CO 0.87 -0.72 0.38 -0.81 0.02 0.00 0.00 176.35 176.08 1pjz n PRO 113 N -2.01 -1.03 0.07 1.29 -0.04 -1.26 -4.75 135.00 127.26 1pjz n PRO 113 Ca 0.03 -0.59 -0.03 0.00 -0.04 0.00 0.00 63.50 62.87 1pjz n PRO 113 Cb 0.58 -0.47 -0.01 0.00 -0.04 0.00 0.00 33.50 33.56 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 -2.08 -0.61 -0.67 0.55 0.00 -1.97 0.93 119.26 115.41 1pjz h ALA 114 Ca -0.13 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1pjz h ALA 114 Cb 0.38 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 1pjz h ALA 114 CO 0.09 -0.60 -0.39 -0.25 0.00 0.00 0.00 179.25 178.10 1pjz n ASP 115 N -2.77 -0.71 -0.22 0.00 9.92 -1.26 0.44 116.55 121.95 1pjz n ASP 115 Ca -0.02 1.50 0.02 0.00 -0.53 0.00 0.00 54.79 55.76 1pjz n ASP 115 Cb 0.07 -0.31 0.14 0.00 -0.64 0.00 0.00 41.12 40.38 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 0.36 -0.97 -1.24 4.05 -1.95 0.11 114.93 115.29 1pjz h MET 116 Ca 0.11 -0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.61 1pjz h MET 116 Cb 0.27 -0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 30.92 1pjz h MET 116 CO -0.63 0.24 0.62 0.00 0.23 0.00 0.00 176.91 177.37 1pjz h ARG 117 N 0.37 0.95 -0.07 0.39 3.08 0.26 0.52 114.38 119.88 1pjz h ARG 117 Ca 0.35 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 1pjz h ARG 117 Cb 0.51 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1pjz h ARG 117 CO -0.38 0.63 0.01 0.93 -1.07 0.00 0.00 179.97 180.09 1pjz h GLU 118 N 0.98 0.12 0.00 0.04 5.08 0.24 -0.35 114.58 120.68 1pjz h GLU 118 Ca 0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1pjz h GLU 118 Cb 0.44 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1pjz h GLU 118 CO -0.22 0.35 0.00 0.07 -1.00 0.00 0.00 179.01 178.21 1pjz h ARG 119 N -0.13 0.00 0.07 2.33 -0.00 -0.27 -1.07 114.38 115.31 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 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.26 1pjz h ARG 119 CO 0.00 0.00 -0.04 -0.92 -0.00 0.00 0.00 179.97 179.02 1pjz h TYR 120 N 0.00 -0.09 -0.99 4.08 5.03 0.50 -0.61 116.97 124.89 1pjz h TYR 120 Ca 0.00 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.32 1pjz h TYR 120 Cb 0.38 0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.65 1pjz h TYR 120 CO 0.00 0.23 0.66 -0.39 -1.32 0.00 0.00 178.16 177.34 1pjz h VAL 121 N -0.99 1.26 -0.11 1.81 -1.51 -1.01 -0.60 116.25 115.09 1pjz h VAL 121 Ca -0.01 -0.47 -0.02 0.00 -1.23 0.00 0.00 66.70 64.97 1pjz h VAL 121 Cb 0.37 -0.21 -0.00 0.00 -2.13 0.00 0.00 31.29 29.31 1pjz h VAL 121 CO 0.02 0.25 -0.01 0.06 -1.23 0.00 0.00 177.57 176.65 1pjz h GLN 122 N 1.35 0.20 -0.95 5.19 3.07 -1.31 -0.52 115.11 122.13 1pjz h GLN 122 Ca 0.36 -0.07 0.13 0.00 0.09 0.00 0.00 58.65 59.16 1pjz h GLN 122 Cb -0.15 -0.02 -0.09 0.00 0.08 0.00 0.00 27.48 27.30 1pjz h GLN 122 CO -0.08 0.47 0.58 0.45 0.09 0.00 0.00 178.83 180.34 1pjz h HIS 123 N -0.09 1.04 0.52 0.06 3.86 -0.64 0.43 115.15 120.33 1pjz h HIS 123 Ca 0.03 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1pjz h HIS 123 Cb 0.39 -0.32 0.01 0.00 1.06 0.00 0.00 27.41 28.55 1pjz h HIS 123 CO 0.04 0.37 -0.25 1.25 0.86 0.00 0.00 177.93 180.20 1pjz h LEU 124 N 0.88 -0.59 -1.56 2.43 7.12 -0.92 -1.22 115.31 121.45 1pjz h LEU 124 Ca 0.48 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.52 1pjz h LEU 124 Cb 0.54 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.82 1pjz h LEU 124 CO -0.29 -0.32 0.33 -0.33 -0.13 0.00 0.00 178.44 177.70 1pjz h GLU 125 N -0.91 0.00 0.06 1.25 4.39 -0.70 1.35 114.58 120.03 1pjz h GLU 125 Ca -0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1pjz h GLU 125 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1pjz h GLU 125 CO 0.12 0.00 -0.03 0.00 -1.16 0.00 0.00 179.01 177.94 1pjz h ALA 126 N 1.28 -0.08 -0.36 3.43 0.00 0.23 -3.27 119.26 120.48 1pjz h ALA 126 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1pjz h ALA 126 Cb 0.65 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1pjz h ALA 126 CO 0.00 -0.11 0.00 1.47 0.00 0.00 0.00 179.25 180.61 1pjz n LEU 127 N -4.78 2.73 -4.91 0.00 -0.00 0.08 -4.91 117.00 105.21 1pjz n LEU 127 Ca -0.06 -1.38 -0.29 0.00 -0.00 0.00 0.00 56.01 54.28 1pjz n LEU 127 Cb 0.25 -0.41 0.15 0.00 -0.00 0.00 0.00 43.42 43.40 1pjz n LEU 127 CO 0.19 0.50 0.84 -0.04 -0.00 0.00 0.00 177.39 178.88 1pjz s MET 128 N -1.67 1.15 0.00 1.47 -1.94 0.44 0.31 119.30 119.06 1pjz s MET 128 Ca 0.28 -0.19 0.00 0.00 -1.71 0.00 0.00 55.69 54.07 1pjz s MET 128 Cb 0.17 -1.88 0.00 0.00 2.01 0.00 0.00 34.83 35.13 1pjz s MET 128 CO 0.14 -2.10 0.00 -0.35 -0.01 0.00 0.00 175.02 172.70 1pjz n PRO 129 N -3.60 1.01 -0.05 2.03 -0.04 -1.25 -4.10 135.00 129.00 1pjz n PRO 129 Ca 0.12 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.51 1pjz n PRO 129 Cb 0.60 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.00 1pjz n PRO 129 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pjz n GLN 130 N 0.00 0.81 -3.43 0.54 10.64 -0.60 -4.86 117.38 120.48 1pjz n GLN 130 Ca 0.00 0.05 -0.23 0.00 -1.83 0.00 0.00 57.00 54.99 1pjz n GLN 130 Cb 0.00 -1.22 -0.11 0.00 -0.86 0.00 0.00 30.24 28.05 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pjz s ALA 131 N -2.22 0.15 -0.01 2.61 0.00 -0.69 -4.06 121.76 117.54 1pjz s ALA 131 Ca -0.13 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.60 1pjz s ALA 131 Cb 0.04 -1.73 0.02 0.00 0.00 0.00 0.00 23.12 21.44 1pjz s ALA 131 CO 0.28 -1.93 0.29 0.00 0.00 0.00 0.00 175.76 174.40 1pjz s SER 133 N -1.31 6.29 0.24 0.00 0.01 0.78 0.47 113.70 120.19 1pjz s SER 133 Ca -0.13 -0.44 -0.12 0.00 1.31 0.00 0.00 55.95 56.56 1pjz s SER 133 Cb -0.05 -2.30 -0.08 0.00 0.21 0.00 0.00 66.02 63.80 1pjz s SER 133 CO 0.04 -0.75 0.60 -0.83 0.41 0.00 0.00 173.24 172.72 1pjz s GLY 134 N 2.00 2.33 -0.30 3.44 0.00 0.21 -1.09 107.32 113.90 1pjz s GLY 134 Ca 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 44.72 44.73 1pjz s GLY 134 CO 0.17 0.02 0.14 -2.27 0.00 0.00 0.00 173.10 171.17 1pjz s LEU 135 N -2.74 0.56 -0.10 0.66 2.96 0.06 -0.33 118.68 119.75 1pjz s LEU 135 Ca 0.48 -1.36 -0.26 0.00 -0.22 0.00 0.00 54.13 52.77 1pjz s LEU 135 Cb -0.11 -0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.22 1pjz s LEU 135 CO 0.20 -0.43 0.83 -0.22 -1.32 0.00 0.00 176.35 175.42 1pjz s LEU 136 N 2.01 4.27 -0.35 -0.68 0.20 0.67 -0.48 118.68 124.32 1pjz s LEU 136 Ca 0.10 1.31 -0.03 0.00 0.69 0.00 0.00 54.13 56.19 1pjz s LEU 136 Cb -0.17 -3.28 0.07 0.00 -0.43 0.00 0.00 46.19 42.38 1pjz s LEU 136 CO -0.33 -0.28 0.10 -0.63 -0.29 0.00 0.00 176.35 174.91 1pjz s ILE 137 N 1.46 3.30 0.51 6.68 -1.09 -0.31 -0.16 121.20 131.60 1pjz s ILE 137 Ca 0.42 -1.54 0.02 0.00 -2.23 0.00 0.00 60.65 57.32 1pjz s ILE 137 Cb -0.18 -3.01 -0.00 0.00 -1.58 0.00 0.00 42.46 37.69 1pjz s ILE 137 CO 0.18 -0.32 0.08 0.42 -1.23 0.00 0.00 174.94 174.07 1pjz s THR 138 N 1.26 1.27 0.26 2.92 -4.23 0.17 -0.83 115.64 116.46 1pjz s THR 138 Ca 0.00 -1.90 -0.08 0.00 -1.18 0.00 0.00 61.69 58.53 1pjz s THR 138 Cb -0.21 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 1pjz s THR 138 CO -0.01 0.00 0.41 -0.76 -0.54 0.00 0.00 174.62 173.72 1pjz s LEU 139 N -3.95 0.66 0.00 4.79 1.02 -1.26 0.37 118.68 120.31 1pjz s LEU 139 Ca 0.12 -1.16 0.00 0.00 0.02 0.00 0.00 54.13 53.10 1pjz s LEU 139 Cb 0.01 1.42 0.00 0.00 0.02 0.00 0.00 46.19 47.64 1pjz s LEU 139 CO 0.07 -1.13 0.00 1.21 0.02 0.00 0.00 176.35 176.52 1pjz n GLU 140 N -0.41 0.00 0.00 1.70 2.13 -0.36 -3.68 120.64 120.02 1pjz n GLU 140 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1pjz n GLU 140 Cb 0.63 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.34 1pjz n GLU 140 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1pjz n TYR 141 N -0.70 0.00 -0.73 4.31 9.36 -1.26 -4.38 117.16 123.75 1pjz n TYR 141 Ca 0.00 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.98 1pjz n TYR 141 Cb 0.00 -0.03 -0.00 0.00 -0.63 0.00 0.00 39.34 38.67 1pjz n TYR 141 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1pjz n ASP 142 N -1.50 -1.53 0.00 2.98 5.75 -1.26 -4.70 116.55 116.29 1pjz n ASP 142 Ca 0.00 0.47 0.00 0.00 -0.01 0.00 0.00 54.79 55.25 1pjz n ASP 142 Cb 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 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 0.73 0.00 -2.60 0.11 10.64 -1.26 -4.26 117.38 120.74 1pjz n GLN 143 Ca 0.07 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 54.98 1pjz n GLN 143 Cb 0.22 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.59 1pjz n GLN 143 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pjz n ALA 144 N 0.00 4.82 0.00 2.61 0.00 -1.26 -4.47 120.51 122.20 1pjz n ALA 144 Ca 0.00 -4.30 0.00 0.00 0.00 0.00 0.00 53.44 49.14 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 -0.39 0.00 -4.69 0.00 -0.00 -1.26 -5.12 117.00 105.54 1pjz n LEU 145 Ca 0.35 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.99 1pjz n LEU 145 Cb 0.62 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.96 1pjz n LEU 145 CO 0.33 0.00 -0.00 -0.22 -0.00 0.00 0.00 177.39 177.49 1pjz s LEU 146 N 0.00 4.18 -0.77 1.47 2.96 -1.26 -4.65 118.68 120.61 1pjz s LEU 146 Ca 0.00 0.43 -0.31 0.00 -0.22 0.00 0.00 54.13 54.03 1pjz s LEU 146 Cb 0.00 -2.37 -0.17 0.00 0.50 0.00 0.00 46.19 44.15 1pjz s LEU 146 CO 0.00 0.02 2.54 -0.62 -1.32 0.00 0.00 176.35 176.98 1pjz n GLU 147 N 4.08 0.38 -0.02 1.98 -0.58 -1.26 -4.20 120.64 121.02 1pjz n GLU 147 Ca -0.11 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1pjz n GLU 147 Cb 0.52 -2.11 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 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 6.44 -0.79 3.62 0.62 0.00 -1.26 -4.93 105.19 108.88 1pjz n GLY 148 Ca 0.55 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 1pjz n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pjz s PRO 149 N -4.41 3.79 0.06 1.61 0.04 -1.26 -4.75 135.00 130.08 1pjz s PRO 149 Ca 0.00 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 1pjz s PRO 149 Cb 0.00 -3.94 -0.05 0.00 0.04 0.00 0.00 34.50 30.54 1pjz s PRO 149 CO 0.00 -1.29 1.16 -1.25 0.04 0.00 0.00 177.00 175.66 1pjz s PRO 150 N 4.48 4.46 0.00 0.56 0.04 -1.26 -4.44 135.00 138.83 1pjz s PRO 150 Ca 0.59 1.72 0.08 0.00 0.04 0.00 0.00 61.00 63.44 1pjz s PRO 150 Cb -0.16 -3.36 0.40 0.00 0.04 0.00 0.00 34.50 31.42 1pjz s PRO 150 CO 0.27 -0.21 1.27 0.34 0.04 0.00 0.00 177.00 178.71 1pjz n PHE 151 N 3.82 0.10 -3.82 0.56 -0.00 0.61 -4.87 117.46 113.85 1pjz n PHE 151 Ca 0.08 -0.05 -0.29 0.00 -0.00 0.00 0.00 57.45 57.19 1pjz n PHE 151 Cb 0.47 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 39.96 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 -0.34 -2.93 -4.72 -2.13 3.41 -1.24 -4.69 113.62 100.98 1pjz n SER 152 Ca 0.07 -1.02 -0.66 0.00 -0.26 0.00 0.00 58.87 56.99 1pjz n SER 152 Cb 0.09 -3.16 -0.10 0.00 -0.26 0.00 0.00 64.21 60.79 1pjz n SER 152 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1pjz n VAL 153 N -4.34 0.02 -2.42 -3.33 3.14 -1.26 -4.81 118.33 105.34 1pjz n VAL 153 Ca -0.20 -0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.75 1pjz n VAL 153 Cb 0.63 -0.51 -0.02 0.00 -1.06 0.00 0.00 33.84 32.88 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 2.73 4.26 0.33 1.45 0.04 -1.26 -4.90 135.00 137.65 1pjz s PRO 154 Ca 1.03 1.68 0.08 0.00 0.04 0.00 0.00 61.00 63.84 1pjz s PRO 154 Cb -1.44 -3.71 0.96 0.00 0.04 0.00 0.00 34.50 30.34 1pjz s PRO 154 CO 0.78 -0.64 1.58 0.37 0.04 0.00 0.00 177.00 179.12 1pjz h GLN 155 N 8.04 0.01 -0.84 4.56 -0.00 -1.99 1.50 115.11 126.39 1pjz h GLN 155 Ca -0.29 -0.00 0.18 0.00 -0.00 0.00 0.00 58.65 58.54 1pjz h GLN 155 Cb 1.12 -0.00 -0.11 0.00 0.00 0.00 0.00 27.48 28.49 1pjz h GLN 155 CO 0.95 0.01 0.37 0.00 0.00 0.00 0.00 178.83 180.15 1pjz h THR 156 N 0.01 0.59 0.09 2.39 1.03 -1.97 0.47 112.91 115.52 1pjz h THR 156 Ca 0.69 -0.16 -0.00 0.00 -0.01 0.00 0.00 66.41 66.92 1pjz h THR 156 Cb 1.58 0.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.74 1pjz h THR 156 CO -0.87 0.08 -0.04 -0.25 -0.01 0.00 0.00 175.52 174.43 1pjz h TRP 157 N 0.46 -0.11 -0.71 0.00 7.01 0.17 0.70 115.95 123.47 1pjz h TRP 157 Ca 0.49 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.64 1pjz h TRP 157 Cb 0.83 0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.88 1pjz h TRP 157 CO -0.14 0.07 0.48 1.25 -2.79 0.00 0.00 178.44 177.31 1pjz h LEU 158 N -0.28 0.28 0.00 0.65 5.85 -0.30 1.05 115.31 122.57 1pjz h LEU 158 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1pjz h LEU 158 Cb 0.23 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1pjz h LEU 158 CO 0.02 0.15 -0.40 -0.74 -0.34 0.00 0.00 178.44 177.12 1pjz h HIS 159 N 0.30 0.00 0.16 1.25 2.76 0.64 0.56 115.15 120.82 1pjz h HIS 159 Ca 0.35 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 58.21 1pjz h HIS 159 Cb 0.92 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.89 1pjz h HIS 159 CO -0.00 0.00 -1.46 0.07 -1.30 0.00 0.00 177.93 175.24 1pjz h ARG 160 N 0.00 0.33 0.00 5.26 0.11 0.71 -3.33 114.38 117.47 1pjz h ARG 160 Ca 0.00 -0.56 0.00 0.00 0.10 0.00 0.00 59.98 59.52 1pjz h ARG 160 Cb 0.87 0.21 0.00 0.00 1.11 0.00 0.00 29.97 32.16 1pjz h ARG 160 CO 0.00 1.23 -0.28 1.55 0.10 0.00 0.00 179.97 182.58 1pjz n VAL 161 N -3.54 1.23 0.00 0.08 3.14 0.13 -4.57 118.33 114.80 1pjz n VAL 161 Ca -0.15 0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.55 1pjz n VAL 161 Cb 1.05 -1.77 0.00 0.00 -1.06 0.00 0.00 33.84 32.06 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 -3.70 0.00 -3.45 1.45 2.81 0.19 -4.28 117.12 110.14 1pjz n MET 162 Ca -0.04 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.42 1pjz n MET 162 Cb 0.14 -1.20 -0.09 0.00 -0.71 0.00 0.00 33.22 31.36 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 -1.75 6.08 0.00 7.83 0.15 -0.59 -4.39 113.70 121.03 1pjz s SER 163 Ca 0.00 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.52 1pjz s SER 163 Cb 0.00 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1pjz s SER 163 CO 0.00 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1pjz n GLY 164 N 5.16 -0.42 0.00 9.45 0.00 -1.26 -4.91 105.19 113.20 1pjz n GLY 164 Ca -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.72 1.61 3.02 -1.26 -5.11 115.26 109.80 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 -0.30 -0.89 3.10 -2.14 -1.26 -0.78 118.94 116.67 1pjz s TRP 166 Ca 0.00 0.74 -0.25 0.00 2.66 0.00 0.00 56.10 59.25 1pjz s TRP 166 Cb 0.00 0.01 0.03 0.00 -3.10 0.00 0.00 33.47 30.41 1pjz s TRP 166 CO 0.00 -0.23 1.46 -1.21 -2.66 0.00 0.00 176.95 174.31 1pjz s GLU 167 N 1.38 3.30 0.04 3.25 0.41 -0.36 -4.59 118.70 122.13 1pjz s GLU 167 Ca -0.08 -0.63 -0.30 0.00 -0.41 0.00 0.00 54.97 53.55 1pjz s GLU 167 Cb -0.11 -4.86 -0.04 0.00 -1.78 0.00 0.00 34.13 27.34 1pjz s GLU 167 CO -0.08 -2.32 1.00 0.14 -0.49 0.00 0.00 175.26 173.50 1pjz s VAL 168 N 5.95 4.67 -0.02 2.63 -7.23 -1.22 -0.72 120.40 124.46 1pjz s VAL 168 Ca 0.46 2.00 0.03 0.00 -1.81 0.00 0.00 61.98 62.65 1pjz s VAL 168 Cb -0.04 -4.28 -0.00 0.00 0.56 0.00 0.00 36.38 32.62 1pjz s VAL 168 CO 0.01 0.20 -0.10 0.28 -0.31 0.00 0.00 175.10 175.18 1pjz s THR 169 N 0.72 0.84 0.41 5.32 -1.32 0.16 -4.89 115.64 116.89 1pjz s THR 169 Ca 0.51 -0.42 -0.27 0.00 -1.21 0.00 0.00 61.69 60.31 1pjz s THR 169 Cb -0.23 -0.73 -0.09 0.00 -1.51 0.00 0.00 72.50 69.94 1pjz s THR 169 CO 0.29 0.25 1.44 -1.59 -2.21 0.00 0.00 174.62 172.80 1pjz s LYS 170 N 0.03 3.89 0.00 7.08 -2.85 -1.26 -0.75 119.74 125.88 1pjz s LYS 170 Ca -0.01 2.45 -0.30 0.00 -1.00 0.00 0.00 55.97 57.12 1pjz s LYS 170 Cb -0.07 -2.80 0.11 0.00 -2.06 0.00 0.00 37.83 33.01 1pjz s LYS 170 CO 0.00 -0.66 1.20 0.54 0.10 0.00 0.00 175.35 176.54 1pjz s VAL 171 N -1.17 0.00 0.00 1.79 0.11 0.14 -4.81 120.40 116.46 1pjz s VAL 171 Ca 0.57 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 1pjz s VAL 171 Cb -0.44 -1.88 0.00 0.00 -1.53 0.00 0.00 36.38 32.53 1pjz s VAL 171 CO 0.58 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.96 1pjz n GLY 172 N -0.44 -0.40 3.51 6.54 0.00 -1.26 0.64 105.19 113.78 1pjz n GLY 172 Ca -0.07 -2.21 -0.13 0.00 0.00 0.00 0.00 46.02 43.61 1pjz n GLY 172 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pjz s GLY 173 N 0.00 1.25 -0.05 -0.02 0.00 0.18 -4.91 107.32 103.77 1pjz s GLY 173 Ca 0.00 -1.37 0.04 0.00 0.00 0.00 0.00 44.72 43.39 1pjz s GLY 173 CO 0.00 -0.91 -0.16 -0.86 0.00 0.00 0.00 173.10 171.17 1pjz s GLN 174 N -3.23 2.49 -0.31 2.90 -2.07 -1.26 -0.01 119.66 118.17 1pjz s GLN 174 Ca 0.29 -0.73 0.00 0.00 -1.82 0.00 0.00 55.36 53.10 1pjz s GLN 174 Cb -0.00 -2.34 0.00 0.00 -1.09 0.00 0.00 33.01 29.57 1pjz s GLN 174 CO 0.17 0.60 0.00 -0.25 -1.32 0.00 0.00 175.29 174.49 1pjz n ASP 175 N 2.38 -5.21 -3.67 12.60 8.00 -0.57 -4.82 116.55 125.26 1pjz n ASP 175 Ca -0.17 0.07 -0.30 0.00 0.71 0.00 0.00 54.79 55.10 1pjz n ASP 175 Cb 0.52 -2.97 -0.08 0.00 -0.02 0.00 0.00 41.12 38.57 1pjz n ASP 175 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1pjz n THR 176 N -2.29 2.60 0.87 -3.53 5.66 -1.15 -3.95 114.28 112.48 1pjz n THR 176 Ca -0.03 -5.21 0.12 0.00 -3.05 0.00 0.00 64.05 55.87 1pjz n THR 176 Cb 0.41 -2.15 0.14 0.00 -1.55 0.00 0.00 70.33 67.18 1pjz n THR 176 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pjz n LEU 177 N 1.30 0.62 -0.23 1.09 -0.00 -1.25 -4.05 117.00 114.47 1pjz n LEU 177 Ca 0.26 -0.06 0.32 0.00 -0.00 0.00 0.00 56.01 56.53 1pjz n LEU 177 Cb 0.38 -0.17 0.68 0.00 -0.00 0.00 0.00 43.42 44.31 1pjz n LEU 177 CO 0.41 0.11 1.29 0.45 -0.00 0.00 0.00 177.39 179.65 1pjz h HIS 178 N 0.00 0.00 -0.28 1.47 3.86 -1.94 1.52 115.15 119.78 1pjz h HIS 178 Ca 0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 1pjz h HIS 178 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1pjz h HIS 178 CO 0.00 0.00 -0.49 0.77 0.86 0.00 0.00 177.93 179.07 1pjz h SER 179 N 0.00 0.91 -3.62 2.45 0.02 -1.86 -3.44 113.55 108.00 1pjz h SER 179 Ca 0.49 -0.53 -0.50 0.00 -0.84 0.00 0.00 61.79 60.42 1pjz h SER 179 Cb 2.32 -0.26 0.02 0.00 0.14 0.00 0.00 62.40 64.61 1pjz h SER 179 CO -0.01 1.26 0.10 -0.44 -1.14 0.00 0.00 176.83 176.61 1pjz s SER 180 N -6.84 6.40 -0.17 3.07 0.01 0.52 -1.84 113.70 114.85 1pjz s SER 180 Ca -0.11 1.02 -0.08 0.00 1.31 0.00 0.00 55.95 58.09 1pjz s SER 180 Cb 0.09 -2.28 -0.23 0.00 0.21 0.00 0.00 66.02 63.82 1pjz s SER 180 CO 0.87 -0.47 0.19 0.00 0.41 0.00 0.00 173.24 174.24 1pjz n ALA 181 N -1.72 0.98 -0.51 1.44 0.00 -1.26 -4.07 120.51 115.37 1pjz n ALA 181 Ca 0.01 -0.69 0.44 0.00 0.00 0.00 0.00 53.44 53.20 1pjz n ALA 181 Cb 0.54 -0.51 0.74 0.00 0.00 0.00 0.00 19.45 20.22 1pjz n ALA 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz h ARG 182 N -0.18 0.00 0.03 0.00 2.47 -1.94 0.99 114.38 115.75 1pjz h ARG 182 Ca -0.46 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.26 1pjz h ARG 182 Cb 1.87 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.19 1pjz h ARG 182 CO -0.02 0.00 -0.02 0.78 0.56 0.00 0.00 179.97 181.27 1pjz h GLY 183 N 0.00 -0.05 2.00 0.04 0.00 -1.84 -0.14 103.07 103.08 1pjz h GLY 183 Ca 0.76 0.02 0.00 0.00 0.00 0.00 0.00 47.33 48.10 1pjz h GLY 183 CO -0.01 -0.02 0.00 1.04 0.00 0.00 0.00 176.54 177.56 1pjz n LEU 184 N -4.95 0.71 0.12 3.11 7.99 0.31 0.11 117.00 124.39 1pjz n LEU 184 Ca -0.08 0.63 -0.23 0.00 -0.01 0.00 0.00 56.01 56.31 1pjz n LEU 184 Cb 0.19 -0.48 -0.15 0.00 -0.11 0.00 0.00 43.42 42.88 1pjz n LEU 184 CO 0.33 -0.41 -0.14 0.50 -1.51 0.00 0.00 177.39 176.16 1pjz h LYS 185 N 0.00 0.51 0.16 3.23 3.64 -0.33 -3.35 116.57 120.43 1pjz h LYS 185 Ca 0.00 -0.83 -0.36 0.00 -1.27 0.00 0.00 60.65 58.19 1pjz h LYS 185 Cb 0.51 0.30 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1pjz h LYS 185 CO 0.00 1.39 -1.86 0.00 -2.27 0.00 0.00 179.45 176.71 1pjz h ALA 186 N 0.16 0.27 -0.41 5.00 0.00 -0.80 -3.50 119.26 119.98 1pjz h ALA 186 Ca -0.22 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.44 1pjz h ALA 186 Cb 2.01 0.57 0.00 0.00 0.00 0.00 0.00 17.79 20.37 1pjz h ALA 186 CO 0.24 1.15 0.00 0.41 0.00 0.00 0.00 179.25 181.05 1pjz n GLY 187 N 1.92 0.76 0.03 0.00 0.00 0.29 -4.92 105.19 103.28 1pjz n GLY 187 Ca -0.28 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.01 1pjz n GLY 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pjz n LEU 188 N -0.16 0.45 -4.33 0.99 4.32 -0.87 -4.99 117.00 112.41 1pjz n LEU 188 Ca 0.00 -0.01 -0.40 0.00 -0.02 0.00 0.00 56.01 55.59 1pjz n LEU 188 Cb 0.07 0.09 -0.07 0.00 -1.62 0.00 0.00 43.42 41.89 1pjz n LEU 188 CO 0.00 0.23 -0.15 -1.84 -1.22 0.00 0.00 177.39 174.42 1pjz n GLU 189 N -2.32 -0.78 0.00 3.23 0.00 -1.26 -4.68 120.64 114.83 1pjz n GLU 189 Ca -0.11 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1pjz n GLU 189 Cb 0.70 -4.46 0.00 0.00 0.00 0.00 0.00 31.44 27.69 1pjz n GLU 189 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1pjz n ARG 190 N -3.83 0.00 -3.63 3.44 1.85 -1.26 -4.97 116.66 108.26 1pjz n ARG 190 Ca 0.11 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.91 1pjz n ARG 190 Cb 0.43 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.78 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 -0.51 0.22 -0.35 2.89 0.23 -1.25 -4.90 119.30 115.62 1pjz s MET 191 Ca 0.00 0.14 -0.32 0.00 -1.03 0.00 0.00 55.69 54.48 1pjz s MET 191 Cb 0.00 0.10 -0.09 0.00 -1.53 0.00 0.00 34.83 33.31 1pjz s MET 191 CO 0.00 -0.05 2.25 -0.25 -2.03 0.00 0.00 175.02 174.94 1pjz n ASP 192 N 1.16 2.43 -4.34 -1.18 8.00 -1.26 -1.51 116.55 119.84 1pjz n ASP 192 Ca -0.07 0.24 -0.43 0.00 0.71 0.00 0.00 54.79 55.24 1pjz n ASP 192 Cb 0.58 -1.38 -0.09 0.00 -0.02 0.00 0.00 41.12 40.22 1pjz n ASP 192 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1pjz s GLU 193 N 6.59 2.83 0.20 -1.24 2.12 0.99 -1.22 118.70 128.97 1pjz s GLU 193 Ca 1.07 -1.39 -0.09 0.00 0.36 0.00 0.00 54.97 54.92 1pjz s GLU 193 Cb -0.64 -3.99 -0.07 0.00 0.26 0.00 0.00 34.13 29.69 1pjz s GLU 193 CO 0.42 -1.00 0.50 -1.01 -0.54 0.00 0.00 175.26 173.64 1pjz s HIS 194 N 1.56 3.46 -0.04 5.30 3.76 0.16 -0.65 115.29 128.83 1pjz s HIS 194 Ca 0.04 0.82 -0.11 0.00 -0.15 0.00 0.00 55.06 55.66 1pjz s HIS 194 Cb -0.24 -2.21 0.02 0.00 1.11 0.00 0.00 32.58 31.26 1pjz s HIS 194 CO 0.05 0.33 0.25 0.08 -0.85 0.00 0.00 174.74 174.60 1pjz s VAL 195 N -1.73 0.04 -0.09 -0.90 1.01 0.21 0.42 120.40 119.36 1pjz s VAL 195 Ca 0.44 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 1pjz s VAL 195 Cb -0.12 -0.48 0.05 0.00 0.00 0.00 0.00 36.38 35.83 1pjz s VAL 195 CO 0.22 -0.19 0.11 -0.31 0.00 0.00 0.00 175.10 174.93 1pjz s TYR 196 N -0.78 -0.03 -0.42 5.22 2.02 0.77 0.26 117.35 124.40 1pjz s TYR 196 Ca -0.09 0.27 -0.26 0.00 -0.37 0.00 0.00 57.07 56.62 1pjz s TYR 196 Cb -0.05 -0.43 0.02 0.00 -0.40 0.00 0.00 41.96 41.10 1pjz s TYR 196 CO 0.02 -0.32 0.96 0.54 -1.57 0.00 0.00 175.55 175.18 1pjz s VAL 197 N 2.22 4.49 -0.43 0.71 0.11 0.07 -0.24 120.40 127.34 1pjz s VAL 197 Ca 0.04 1.05 -0.09 0.00 -2.93 0.00 0.00 61.98 60.05 1pjz s VAL 197 Cb -0.13 -4.41 0.09 0.00 -1.53 0.00 0.00 36.38 30.39 1pjz s VAL 197 CO -0.06 -0.71 0.27 -0.76 -3.33 0.00 0.00 175.10 170.51 1pjz s LEU 198 N 3.72 5.23 -0.81 2.54 1.02 0.55 0.38 118.68 131.30 1pjz s LEU 198 Ca 0.39 -1.58 -0.25 0.00 0.02 0.00 0.00 54.13 52.71 1pjz s LEU 198 Cb -0.11 -1.98 0.01 0.00 0.02 0.00 0.00 46.19 44.13 1pjz s LEU 198 CO 0.23 -0.56 1.58 -0.70 0.02 0.00 0.00 176.35 176.92 1pjz s GLU 199 N 1.40 3.05 -0.52 1.70 2.12 0.10 0.65 118.70 127.21 1pjz s GLU 199 Ca 0.04 -0.28 -0.26 0.00 0.36 0.00 0.00 54.97 54.82 1pjz s GLU 199 Cb -0.23 -4.69 -0.06 0.00 0.26 0.00 0.00 34.13 29.40 1pjz s GLU 199 CO 0.01 -2.52 2.31 0.50 -0.54 0.00 0.00 175.26 175.03 1pjz s ARG 200 N 6.07 2.18 0.00 4.30 3.00 0.18 -1.22 118.95 133.45 1pjz s ARG 200 Ca 0.51 1.25 0.31 0.00 -1.00 0.00 0.00 55.73 56.80 1pjz s ARG 200 Cb -0.07 -4.56 1.70 0.00 0.00 0.00 0.00 34.95 32.03 1pjz s ARG 200 CO 0.07 -3.21 2.11 1.33 0.00 0.00 0.00 175.30 175.60