#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pjz n GLN 2 N 0.00 0.00 0.00 -0.41 3.00 -1.26 -4.61 117.38 114.10 1pjz n GLN 2 Ca 0.00 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 1pjz n GLN 2 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 30.24 28.88 1pjz n GLN 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1pjz n SER 3 N -2.43 0.00 -3.43 1.08 7.64 -1.26 -3.78 113.62 111.44 1pjz n SER 3 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1pjz n SER 3 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1pjz n SER 3 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1pjz s GLU 4 N 0.00 0.66 -0.52 1.43 -1.05 -1.26 -5.03 118.70 112.92 1pjz s GLU 4 Ca 0.00 -1.54 0.05 0.00 -0.15 0.00 0.00 54.97 53.33 1pjz s GLU 4 Cb 0.00 -1.29 0.18 0.00 -0.44 0.00 0.00 34.13 32.58 1pjz s GLU 4 CO 0.00 -1.27 0.44 1.55 0.95 0.00 0.00 175.26 176.94 1pjz n VAL 5 N 3.68 0.04 -2.61 1.83 3.14 -1.25 -4.82 118.33 118.35 1pjz n VAL 5 Ca 0.17 -4.09 0.00 0.00 -2.96 0.00 0.00 64.34 57.46 1pjz n VAL 5 Cb 0.41 -1.89 0.00 0.00 -1.06 0.00 0.00 33.84 31.29 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 2.25 -6.06 -0.36 6.55 3.02 -1.26 -3.33 115.26 116.07 1pjz n ASN 6 Ca 0.26 0.65 0.29 0.00 -0.03 0.00 0.00 54.58 55.74 1pjz n ASN 6 Cb 0.44 -1.28 0.59 0.00 -0.61 0.00 0.00 39.78 38.91 1pjz n ASN 6 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1pjz h LYS 7 N 4.11 0.24 -0.10 3.52 -0.00 -1.94 0.73 116.57 123.12 1pjz h LYS 7 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.65 60.62 1pjz h LYS 7 Cb 0.26 -0.05 -0.00 0.00 -0.00 0.00 0.00 32.23 32.44 1pjz h LYS 7 CO 0.00 0.16 0.01 0.38 -0.00 0.00 0.00 179.45 180.00 1pjz h ASP 8 N 0.25 0.17 0.27 7.07 3.04 -1.88 0.42 116.42 125.75 1pjz h ASP 8 Ca 0.66 -0.27 -0.01 0.00 -3.24 0.00 0.00 57.03 54.17 1pjz h ASP 8 Cb 1.94 -0.05 -0.01 0.00 -1.04 0.00 0.00 39.33 40.17 1pjz h ASP 8 CO -0.29 0.40 -0.25 0.25 -2.04 0.00 0.00 179.24 177.32 1pjz h LEU 9 N -0.07 -0.67 -2.06 0.15 7.12 0.20 0.24 115.31 120.23 1pjz h LEU 9 Ca 0.03 0.05 0.11 0.00 0.13 0.00 0.00 57.88 58.20 1pjz h LEU 9 Cb 0.30 0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.63 1pjz h LEU 9 CO 0.00 -0.33 0.30 0.06 -0.13 0.00 0.00 178.44 178.34 1pjz h GLN 10 N -0.50 0.00 0.00 1.25 -0.00 -1.12 -0.04 115.11 114.70 1pjz h GLN 10 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1pjz h GLN 10 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.91 1pjz h GLN 10 CO -0.02 0.00 0.00 0.94 -0.00 0.00 0.00 178.83 179.75 1pjz n GLN 11 N -4.16 0.00 -0.25 0.06 7.27 0.15 -0.85 117.38 119.60 1pjz n GLN 11 Ca 0.06 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.08 1pjz n GLN 11 Cb 0.48 -0.76 0.00 0.00 2.41 0.00 0.00 30.24 32.36 1pjz n GLN 11 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 1pjz h TYR 12 N 0.00 -1.08 -0.38 3.69 0.05 -0.53 0.31 116.97 119.02 1pjz h TYR 12 Ca 0.00 0.08 0.08 0.00 0.05 0.00 0.00 58.73 58.95 1pjz h TYR 12 Cb 0.00 0.57 -0.09 0.00 1.01 0.00 0.00 36.73 38.23 1pjz h TYR 12 CO 0.00 -0.40 -0.24 2.35 -1.05 0.00 0.00 178.16 178.82 1pjz h TRP 13 N -0.14 -0.62 -0.98 4.88 2.91 -1.14 5.47 115.95 126.32 1pjz h TRP 13 Ca 0.24 0.05 0.22 0.00 1.13 0.00 0.00 58.89 60.54 1pjz h TRP 13 Cb 0.56 0.33 -0.09 0.00 -0.51 0.00 0.00 29.16 29.46 1pjz h TRP 13 CO -0.72 -0.31 0.63 0.77 -1.03 0.00 0.00 178.44 177.77 1pjz h SER 14 N -0.18 0.52 0.00 2.65 0.02 0.15 0.17 113.55 116.89 1pjz h SER 14 Ca 0.19 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1pjz h SER 14 Cb 0.47 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1pjz h SER 14 CO -0.49 0.16 -0.30 -1.28 -1.14 0.00 0.00 176.83 173.79 1pjz h SER 15 N 0.49 0.00 -0.74 3.07 0.87 0.23 -3.38 113.55 114.09 1pjz h SER 15 Ca 0.54 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 61.24 1pjz h SER 15 Cb 1.23 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.06 1pjz h SER 15 CO -0.27 0.50 -0.24 0.18 -0.53 0.00 0.00 176.83 176.47 1pjz n LEU 16 N -3.94 -0.38 -2.75 2.23 4.77 1.73 -4.76 117.00 113.90 1pjz n LEU 16 Ca -0.04 1.29 -0.18 0.00 -0.03 0.00 0.00 56.01 57.05 1pjz n LEU 16 Cb 0.15 -0.34 0.06 0.00 -2.33 0.00 0.00 43.42 40.96 1pjz n LEU 16 CO 0.06 -1.20 0.17 -3.20 -1.33 0.00 0.00 177.39 171.89 1pjz n ASN 17 N -5.15 -5.24 -4.40 -1.43 5.15 0.60 -4.89 115.26 99.90 1pjz n ASN 17 Ca 0.10 -0.38 -0.46 0.00 -0.60 0.00 0.00 54.58 53.24 1pjz n ASN 17 Cb 0.33 -3.87 -0.02 0.00 -0.53 0.00 0.00 39.78 35.70 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 -4.35 1.67 -1.26 3.44 0.31 -1.26 -4.74 118.33 112.14 1pjz n VAL 18 Ca -0.00 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.43 1pjz n VAL 18 Cb 0.55 -0.14 0.01 0.00 -0.91 0.00 0.00 33.84 33.35 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 -0.29 0.11 -2.32 2.52 0.24 -1.26 -4.75 118.33 112.57 1pjz n VAL 19 Ca 0.15 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.54 1pjz n VAL 19 Cb 0.30 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.65 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 -1.00 3.23 0.00 7.34 0.04 -1.26 -2.14 135.00 141.21 1pjz s PRO 20 Ca 0.57 0.54 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1pjz s PRO 20 Cb -0.52 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 29.86 1pjz s PRO 20 CO 0.65 -2.02 0.00 0.41 0.04 0.00 0.00 177.00 176.08 1pjz n GLY 21 N 5.32 0.83 2.79 0.56 0.00 -1.21 -5.02 105.19 108.46 1pjz n GLY 21 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1pjz n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz n ALA 22 N -0.90 -4.34 -2.64 4.61 0.00 -0.91 -2.57 120.51 113.75 1pjz n ALA 22 Ca 0.00 -0.40 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 1pjz n ALA 22 Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 1pjz n ALA 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1pjz s ARG 23 N -1.46 4.12 -0.47 0.00 6.06 -0.73 -1.50 118.95 124.97 1pjz s ARG 23 Ca 0.42 1.10 -0.11 0.00 -2.50 0.00 0.00 55.73 54.64 1pjz s ARG 23 Cb -0.27 -3.70 0.10 0.00 0.06 0.00 0.00 34.95 31.14 1pjz s ARG 23 CO 0.69 -0.78 0.35 0.08 -2.50 0.00 0.00 175.30 173.14 1pjz s VAL 24 N 3.40 4.48 0.02 7.11 1.01 0.68 -1.65 120.40 135.46 1pjz s VAL 24 Ca 0.43 -1.55 -0.22 0.00 0.00 0.00 0.00 61.98 60.64 1pjz s VAL 24 Cb -0.13 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 1pjz s VAL 24 CO 0.12 -0.69 0.67 -0.22 0.00 0.00 0.00 175.10 174.98 1pjz s LEU 25 N 1.45 4.44 -0.25 3.92 1.98 -0.29 -0.36 118.68 129.56 1pjz s LEU 25 Ca 0.04 1.30 -0.04 0.00 -2.89 0.00 0.00 54.13 52.54 1pjz s LEU 25 Cb -0.26 -3.06 0.09 0.00 0.66 0.00 0.00 46.19 43.62 1pjz s LEU 25 CO 0.01 0.08 0.13 0.68 -1.89 0.00 0.00 176.35 175.36 1pjz s VAL 26 N -0.21 -0.09 0.26 1.68 -7.23 -1.10 0.31 120.40 114.01 1pjz s VAL 26 Ca 0.34 -0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 59.66 1pjz s VAL 26 Cb -0.19 -0.85 -0.09 0.00 0.56 0.00 0.00 36.38 35.81 1pjz s VAL 26 CO 0.20 -0.57 1.09 -2.16 -0.31 0.00 0.00 175.10 173.34 1pjz s PRO 27 N 2.13 4.65 0.00 4.82 0.04 -1.24 -1.06 135.00 144.34 1pjz s PRO 27 Ca 0.07 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1pjz s PRO 27 Cb -0.16 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1pjz s PRO 27 CO -0.28 0.22 0.00 1.47 0.04 0.00 0.00 177.00 178.45 1pjz n LEU 28 N 1.40 0.00 0.08 -3.56 -0.00 0.28 -4.52 117.00 110.67 1pjz n LEU 28 Ca -0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.84 1pjz n LEU 28 Cb 0.45 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.73 1pjz n LEU 28 CO 0.54 0.00 -0.22 0.00 -0.00 0.00 0.00 177.39 177.71 1pjz n GLY 30 N 1.60 0.43 2.89 0.00 0.00 -1.26 -4.50 105.19 104.35 1pjz n GLY 30 Ca -0.13 -0.95 -0.02 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.99 -2.58 -3.59 1.61 4.81 -1.26 -5.03 118.16 110.13 1pjz n LYS 31 Ca 0.00 2.14 -0.21 0.00 -0.87 0.00 0.00 58.31 59.37 1pjz n LYS 31 Cb 0.24 -2.83 -0.03 0.00 0.02 0.00 0.00 35.03 32.42 1pjz n LYS 31 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1pjz n SER 32 N 1.89 2.73 -0.12 3.14 7.64 -1.26 -4.96 113.62 122.69 1pjz n SER 32 Ca -0.15 -2.43 0.26 0.00 1.01 0.00 0.00 58.87 57.56 1pjz n SER 32 Cb 0.30 0.17 0.71 0.00 -1.01 0.00 0.00 64.21 64.38 1pjz n SER 32 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1pjz h GLN 33 N 0.00 0.00 0.68 1.43 1.08 -1.95 -0.57 115.11 115.79 1pjz h GLN 33 Ca -0.27 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.90 1pjz h GLN 33 Cb 0.85 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.29 1pjz h GLN 33 CO 0.44 0.00 -0.33 0.22 -0.95 0.00 0.00 178.83 178.21 1pjz h ASP 34 N 0.00 -0.78 -1.00 1.46 1.82 -1.91 0.40 116.42 116.41 1pjz h ASP 34 Ca 0.37 -0.01 0.15 0.00 -0.39 0.00 0.00 57.03 57.15 1pjz h ASP 34 Cb 1.49 0.20 -0.09 0.00 0.68 0.00 0.00 39.33 41.61 1pjz h ASP 34 CO -0.00 -0.44 0.62 0.24 -1.61 0.00 0.00 179.24 178.04 1pjz h MET 35 N -1.11 0.86 -0.03 0.28 2.86 -1.53 0.51 114.93 116.77 1pjz h MET 35 Ca -0.09 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.37 1pjz h MET 35 Cb 0.74 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1pjz h MET 35 CO 0.15 0.57 -0.56 1.03 1.06 0.00 0.00 176.91 179.16 1pjz h SER 36 N 0.89 0.10 0.22 1.22 0.87 -1.09 0.15 113.55 115.91 1pjz h SER 36 Ca 0.52 -0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 60.85 1pjz h SER 36 Cb 0.66 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1pjz h SER 36 CO -0.30 0.64 -0.68 -0.25 -0.53 0.00 0.00 176.83 175.72 1pjz h TRP 37 N 0.07 0.56 0.29 2.24 7.01 0.32 -0.40 115.95 126.03 1pjz h TRP 37 Ca -0.00 -0.23 -0.01 0.00 2.11 0.00 0.00 58.89 60.75 1pjz h TRP 37 Cb 1.02 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 1pjz h TRP 37 CO 0.01 0.97 -0.14 -0.07 -2.79 0.00 0.00 178.44 176.42 1pjz h LEU 38 N 0.30 -0.33 -1.02 0.65 3.38 0.14 -1.76 115.31 116.67 1pjz h LEU 38 Ca -0.02 -0.16 0.15 0.00 0.09 0.00 0.00 57.88 57.93 1pjz h LEU 38 Cb 1.24 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.98 1pjz h LEU 38 CO 0.12 0.15 0.62 -1.28 0.09 0.00 0.00 178.44 178.15 1pjz h SER 39 N -0.99 0.87 -0.27 -0.43 0.87 -0.76 0.21 113.55 113.05 1pjz h SER 39 Ca -0.04 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 1pjz h SER 39 Cb 0.47 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1pjz h SER 39 CO 0.06 0.40 -0.05 1.23 -0.53 0.00 0.00 176.83 177.95 1pjz h GLY 40 N 0.90 0.68 1.57 5.77 0.00 -1.08 -2.53 103.07 108.37 1pjz h GLY 40 Ca 0.53 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 47.27 1pjz h GLY 40 CO -0.31 0.42 -0.46 1.46 0.00 0.00 0.00 176.54 177.65 1pjz h GLN 41 N 0.59 0.47 0.00 4.80 1.08 0.26 -3.48 115.11 118.84 1pjz h GLN 41 Ca 0.12 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1pjz h GLN 41 Cb 0.44 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1pjz h GLN 41 CO 0.02 0.84 0.00 0.41 -0.95 0.00 0.00 178.83 179.15 1pjz n GLY 42 N 0.05 0.70 3.73 3.46 0.00 -0.09 -5.02 105.19 108.01 1pjz n GLY 42 Ca -0.02 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.79 2.20 -1.18 1.61 1.51 -1.11 -3.28 117.35 116.31 1pjz s TYR 43 Ca 0.00 -0.78 -0.11 0.00 -1.01 0.00 0.00 57.07 55.17 1pjz s TYR 43 Cb 0.00 -1.77 0.22 0.00 -0.11 0.00 0.00 41.96 40.30 1pjz s TYR 43 CO 0.00 0.22 1.36 0.72 -1.11 0.00 0.00 175.55 176.74 1pjz n HIS 44 N -1.21 4.79 -2.33 2.71 8.25 -0.56 -4.69 115.22 122.18 1pjz n HIS 44 Ca -0.09 -3.47 -0.43 0.00 -0.26 0.00 0.00 57.72 53.47 1pjz n HIS 44 Cb 0.66 -1.95 -0.02 0.00 1.12 0.00 0.00 29.99 29.80 1pjz n HIS 44 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pjz s VAL 45 N 0.22 4.10 -0.27 1.59 1.01 -1.26 -0.23 120.40 125.55 1pjz s VAL 45 Ca 0.38 1.31 -0.03 0.00 0.00 0.00 0.00 61.98 63.64 1pjz s VAL 45 Cb -0.04 -3.90 0.11 0.00 0.00 0.00 0.00 36.38 32.55 1pjz s VAL 45 CO -0.02 -0.18 0.19 0.54 0.00 0.00 0.00 175.10 175.63 1pjz s VAL 46 N 3.83 -0.21 0.10 2.92 0.11 0.51 -0.65 120.40 127.01 1pjz s VAL 46 Ca 0.59 -0.55 0.02 0.00 -2.93 0.00 0.00 61.98 59.12 1pjz s VAL 46 Cb -0.23 -0.91 -0.01 0.00 -1.53 0.00 0.00 36.38 33.70 1pjz s VAL 46 CO 0.19 -0.55 0.07 0.61 -3.33 0.00 0.00 175.10 172.09 1pjz n GLY 47 N 5.28 3.77 3.31 6.54 0.00 0.15 -2.71 105.19 121.52 1pjz n GLY 47 Ca -0.05 -1.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.01 1pjz n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz s ALA 48 N -2.35 1.67 -0.07 4.61 0.00 -0.22 -1.23 121.76 124.17 1pjz s ALA 48 Ca 0.09 -1.82 0.02 0.00 0.00 0.00 0.00 51.96 50.26 1pjz s ALA 48 Cb 0.00 0.92 0.01 0.00 0.00 0.00 0.00 23.12 24.06 1pjz s ALA 48 CO 0.07 -0.42 -0.13 -2.00 0.00 0.00 0.00 175.76 173.28 1pjz s GLU 49 N -4.00 1.75 -1.12 0.00 -6.30 -0.11 -0.56 118.70 108.36 1pjz s GLU 49 Ca 0.35 -0.43 -0.06 0.00 -2.50 0.00 0.00 54.97 52.33 1pjz s GLU 49 Cb 0.07 -1.45 0.28 0.00 0.00 0.00 0.00 34.13 33.03 1pjz s GLU 49 CO 0.12 0.02 1.50 1.28 0.02 0.00 0.00 175.26 178.20 1pjz n LEU 50 N 3.84 6.32 -3.71 2.70 7.99 -1.21 0.39 117.00 133.32 1pjz n LEU 50 Ca -0.22 -5.07 -0.11 0.00 -0.01 0.00 0.00 56.01 50.59 1pjz n LEU 50 Cb 0.52 -1.35 -0.10 0.00 -0.11 0.00 0.00 43.42 42.38 1pjz n LEU 50 CO 0.25 1.57 0.09 -0.44 -1.51 0.00 0.00 177.39 177.35 1pjz s SER 51 N -0.79 -0.51 -0.23 -1.43 0.01 0.47 -4.97 113.70 106.26 1pjz s SER 51 Ca 0.33 0.91 -0.06 0.00 1.31 0.00 0.00 55.95 58.44 1pjz s SER 51 Cb 0.03 0.85 -0.18 0.00 0.21 0.00 0.00 66.02 66.93 1pjz s SER 51 CO 0.06 -0.18 -0.10 -0.62 0.41 0.00 0.00 173.24 172.82 1pjz n GLU 52 N 3.65 0.65 -0.07 12.44 4.71 -1.26 -3.33 120.64 137.44 1pjz n GLU 52 Ca -0.19 0.24 -0.12 0.00 -0.01 0.00 0.00 57.16 57.08 1pjz n GLU 52 Cb 0.56 -1.57 -0.05 0.00 -1.01 0.00 0.00 31.44 29.36 1pjz n GLU 52 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pjz h ALA 53 N -0.26 0.26 -0.53 0.62 0.00 -1.98 -1.18 119.26 116.21 1pjz h ALA 53 Ca -0.56 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.14 1pjz h ALA 53 Cb 1.81 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1pjz h ALA 53 CO -0.14 0.01 0.35 0.00 0.00 0.00 0.00 179.25 179.47 1pjz h ALA 54 N 0.75 1.68 -0.01 0.00 0.00 -1.99 0.20 119.26 119.89 1pjz h ALA 54 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pjz h ALA 54 Cb 0.45 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1pjz h ALA 54 CO 0.02 0.27 0.00 0.28 0.00 0.00 0.00 179.25 179.82 1pjz h VAL 55 N 0.66 1.21 -0.54 0.00 2.07 -1.54 -0.62 116.25 117.49 1pjz h VAL 55 Ca 0.20 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1pjz h VAL 55 Cb 0.01 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1pjz h VAL 55 CO -0.05 0.17 0.35 -0.33 0.02 0.00 0.00 177.57 177.73 1pjz h GLU 56 N -0.24 0.71 -0.87 1.57 5.08 -0.42 -1.28 114.58 119.13 1pjz h GLU 56 Ca 0.00 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1pjz h GLU 56 Cb 0.27 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1pjz h GLU 56 CO 0.00 0.48 0.55 -0.09 -1.00 0.00 0.00 179.01 178.96 1pjz h ARG 57 N 0.73 1.02 -0.56 2.33 9.65 -0.53 0.37 114.38 127.39 1pjz h ARG 57 Ca 0.20 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.99 1pjz h ARG 57 Cb -0.07 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 28.26 1pjz h ARG 57 CO -0.04 0.68 0.26 1.88 2.80 0.00 0.00 179.97 185.54 1pjz h TYR 58 N 1.05 0.82 0.00 2.20 -1.99 -0.47 0.96 116.97 119.55 1pjz h TYR 58 Ca 0.35 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 61.04 1pjz h TYR 58 Cb 0.05 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.53 1pjz h TYR 58 CO -0.02 0.64 0.00 0.74 -0.00 0.00 0.00 178.16 179.52 1pjz h PHE 59 N 0.76 0.00 0.19 4.88 0.04 -0.51 -1.20 116.94 121.10 1pjz h PHE 59 Ca 0.19 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.64 1pjz h PHE 59 Cb 0.14 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.31 1pjz h PHE 59 CO 0.00 0.00 -1.49 0.00 -0.60 0.00 0.00 178.31 176.22 1pjz h THR 60 N 0.00 1.24 0.02 -1.55 1.03 0.47 0.42 112.91 114.54 1pjz h THR 60 Ca 0.00 -2.77 -0.22 0.00 -0.01 0.00 0.00 66.41 63.41 1pjz h THR 60 Cb 0.71 2.91 0.02 0.00 -1.07 0.00 0.00 68.15 70.72 1pjz h THR 60 CO 0.00 0.84 -0.87 -0.33 -0.01 0.00 0.00 175.52 175.15 1pjz h GLU 61 N 0.11 0.56 0.05 0.00 4.39 -0.75 -3.30 114.58 115.64 1pjz h GLU 61 Ca -0.24 -0.63 -0.26 0.00 0.34 0.00 0.00 59.36 58.57 1pjz h GLU 61 Cb 2.08 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 30.90 1pjz h GLU 61 CO 0.22 1.24 -1.27 0.00 -1.16 0.00 0.00 179.01 178.03 1pjz h ARG 62 N 0.14 0.12 -4.28 2.33 3.08 -1.35 -3.48 114.38 110.94 1pjz h ARG 62 Ca -0.11 -0.20 -0.24 0.00 0.07 0.00 0.00 59.98 59.50 1pjz h ARG 62 Cb 1.56 0.07 0.10 0.00 0.08 0.00 0.00 29.97 31.79 1pjz h ARG 62 CO 0.17 1.00 -0.47 0.41 -1.07 0.00 0.00 179.97 180.01 1pjz n GLY 63 N 1.49 -0.06 0.21 0.04 0.00 0.15 -4.76 105.19 102.26 1pjz n GLY 63 Ca -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.25 -0.58 0.00 1.61 1.02 -1.13 -5.03 120.64 113.29 1pjz n GLU 64 Ca -0.09 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1pjz n GLU 64 Cb 0.58 -0.51 0.00 0.00 -0.02 0.00 0.00 31.44 31.48 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 -1.25 0.00 -1.53 3.49 1.13 -1.26 -5.13 117.38 112.83 1pjz n GLN 65 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 1pjz n GLN 65 Cb 0.02 0.00 0.15 0.00 0.11 0.00 0.00 30.24 30.53 1pjz n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1pjz s PRO 66 N 0.00 0.81 -0.79 -1.09 0.04 -1.26 -4.92 135.00 127.78 1pjz s PRO 66 Ca 0.00 0.17 -0.25 0.00 0.04 0.00 0.00 61.00 60.95 1pjz s PRO 66 Cb 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1pjz s PRO 66 CO 0.00 -2.39 1.64 -1.01 0.04 0.00 0.00 177.00 175.28 1pjz s HIS 67 N -3.32 2.03 -0.28 0.56 3.76 -0.02 -4.89 115.29 113.13 1pjz s HIS 67 Ca 0.66 0.20 -0.13 0.00 -0.15 0.00 0.00 55.06 55.64 1pjz s HIS 67 Cb -0.13 -4.34 -0.04 0.00 1.11 0.00 0.00 32.58 29.18 1pjz s HIS 67 CO 0.54 -2.05 0.29 0.42 -0.85 0.00 0.00 174.74 173.09 1pjz s ILE 68 N 7.60 5.23 0.02 0.60 -1.09 -1.26 -0.16 121.20 132.15 1pjz s ILE 68 Ca 0.55 0.32 0.06 0.00 -2.23 0.00 0.00 60.65 59.35 1pjz s ILE 68 Cb -0.08 -3.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1pjz s ILE 68 CO 0.08 0.16 -0.18 0.28 -1.23 0.00 0.00 174.94 174.05 1pjz s THR 69 N 1.93 1.47 0.18 2.92 -1.32 0.08 -4.97 115.64 115.93 1pjz s THR 69 Ca 0.11 -1.01 -0.23 0.00 -1.21 0.00 0.00 61.69 59.36 1pjz s THR 69 Cb -0.16 -1.27 -0.08 0.00 -1.51 0.00 0.00 72.50 69.48 1pjz s THR 69 CO 0.11 0.23 0.75 -0.44 -2.21 0.00 0.00 174.62 173.06 1pjz s SER 70 N -0.90 7.24 -0.39 8.08 0.01 -1.26 -0.33 113.70 126.15 1pjz s SER 70 Ca 0.06 1.54 0.03 0.00 1.31 0.00 0.00 55.95 58.89 1pjz s SER 70 Cb -0.08 -2.46 0.16 0.00 0.21 0.00 0.00 66.02 63.85 1pjz s SER 70 CO 0.01 0.14 0.34 -1.10 0.41 0.00 0.00 173.24 173.04 1pjz s GLN 71 N -1.47 0.74 4.16 12.44 -1.52 0.13 -4.90 119.66 129.24 1pjz s GLN 71 Ca 0.38 -1.49 0.00 0.00 -1.95 0.00 0.00 55.36 52.30 1pjz s GLN 71 Cb -0.20 -1.10 0.00 0.00 -0.22 0.00 0.00 33.01 31.48 1pjz s GLN 71 CO 0.24 -1.28 0.00 0.41 -0.25 0.00 0.00 175.29 174.40 1pjz n GLY 72 N 3.56 1.92 2.28 3.09 0.00 -1.26 0.40 105.19 115.18 1pjz n GLY 72 Ca 0.19 0.42 -0.31 0.00 0.00 0.00 0.00 46.02 46.32 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 8.66 6.49 -3.52 1.61 -0.08 -1.26 -4.93 116.55 123.52 1pjz n ASP 73 Ca 0.00 -3.74 -0.08 0.00 -1.51 0.00 0.00 54.79 49.46 1pjz n ASP 73 Cb 0.00 -0.93 -0.01 0.00 2.34 0.00 0.00 41.12 42.53 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 -3.67 0.00 0.32 -0.67 0.08 0.16 -5.04 117.98 109.16 1pjz s PHE 74 Ca 0.62 -0.52 0.04 0.00 0.12 0.00 0.00 56.93 57.19 1pjz s PHE 74 Cb 0.50 0.69 -0.06 0.00 -0.57 0.00 0.00 43.02 43.58 1pjz s PHE 74 CO 0.02 -1.34 0.06 0.21 -0.10 0.00 0.00 175.22 174.07 1pjz s LYS 75 N -3.33 1.63 -0.19 0.44 2.20 -1.26 0.18 119.74 119.42 1pjz s LYS 75 Ca 0.14 -1.90 -0.04 0.00 -0.36 0.00 0.00 55.97 53.81 1pjz s LYS 75 Cb -0.05 -0.83 0.08 0.00 -1.51 0.00 0.00 37.83 35.52 1pjz s LYS 75 CO 0.09 -0.19 0.17 0.14 -0.36 0.00 0.00 175.35 175.20 1pjz s VAL 76 N -3.32 -0.23 -0.48 4.02 -7.23 0.56 -0.92 120.40 112.80 1pjz s VAL 76 Ca 0.36 -0.12 -0.11 0.00 -1.81 0.00 0.00 61.98 60.30 1pjz s VAL 76 Cb 0.09 -0.62 0.11 0.00 0.56 0.00 0.00 36.38 36.52 1pjz s VAL 76 CO 0.15 -0.22 0.37 -0.47 -0.31 0.00 0.00 175.10 174.62 1pjz s TYR 77 N 2.25 3.36 0.33 2.82 5.04 0.10 -0.74 117.35 130.50 1pjz s TYR 77 Ca 0.05 -1.60 0.02 0.00 -2.44 0.00 0.00 57.07 53.10 1pjz s TYR 77 Cb -0.16 -3.43 -0.03 0.00 0.35 0.00 0.00 41.96 38.69 1pjz s TYR 77 CO -0.11 -0.96 0.50 0.00 -1.34 0.00 0.00 175.55 173.65 1pjz s ALA 78 N 1.45 3.82 0.16 3.97 0.00 0.77 -1.13 121.76 130.80 1pjz s ALA 78 Ca 0.04 -1.07 0.07 0.00 0.00 0.00 0.00 51.96 51.01 1pjz s ALA 78 Cb -0.26 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 1pjz s ALA 78 CO 0.01 0.01 -0.14 0.00 0.00 0.00 0.00 175.76 175.64 1pjz s ALA 79 N -2.23 1.76 0.15 0.00 0.00 -1.02 -0.84 121.76 119.57 1pjz s ALA 79 Ca 0.40 -1.50 0.13 0.00 0.00 0.00 0.00 51.96 50.98 1pjz s ALA 79 Cb -0.09 -0.07 0.29 0.00 0.00 0.00 0.00 23.12 23.24 1pjz s ALA 79 CO 0.34 0.07 1.55 -1.00 0.00 0.00 0.00 175.76 176.72 1pjz h PRO 80 N 2.97 0.00 0.02 0.00 0.13 -1.98 -3.30 132.00 129.84 1pjz h PRO 80 Ca -0.39 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1pjz h PRO 80 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1pjz h PRO 80 CO 0.57 0.61 -0.16 0.78 -0.23 0.00 0.00 178.00 179.58 1pjz h GLY 81 N 2.39 0.06 -2.59 1.56 0.00 -2.00 -3.47 103.07 99.02 1pjz h GLY 81 Ca -0.01 -0.15 -0.57 0.00 0.00 0.00 0.00 47.33 46.60 1pjz h GLY 81 CO 0.08 0.13 -0.77 -1.50 0.00 0.00 0.00 176.54 174.49 1pjz s ILE 82 N -2.26 2.20 -0.91 2.60 -1.16 -1.24 -4.95 121.20 115.48 1pjz s ILE 82 Ca -0.18 -2.24 -0.02 0.00 -0.51 0.00 0.00 60.65 57.71 1pjz s ILE 82 Cb -0.02 -2.15 0.34 0.00 0.61 0.00 0.00 42.46 41.24 1pjz s ILE 82 CO 0.71 -0.39 1.95 -0.62 -2.81 0.00 0.00 174.94 173.78 1pjz n GLU 83 N -0.30 3.71 -3.67 3.50 4.71 0.18 -2.44 120.64 126.33 1pjz n GLU 83 Ca -0.08 -3.94 -0.39 0.00 -0.01 0.00 0.00 57.16 52.74 1pjz n GLU 83 Cb 0.59 -2.34 -0.12 0.00 -1.01 0.00 0.00 31.44 28.56 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 -4.82 4.23 -0.54 -3.67 -1.09 -1.25 0.34 121.20 114.40 1pjz s ILE 84 Ca 0.47 -0.91 -0.17 0.00 -2.23 0.00 0.00 60.65 57.82 1pjz s ILE 84 Cb 0.35 -3.34 0.12 0.00 -1.58 0.00 0.00 42.46 38.01 1pjz s ILE 84 CO -0.32 -0.16 0.53 -1.66 -1.23 0.00 0.00 174.94 172.11 1pjz s TRP 85 N 1.50 3.20 0.34 3.97 1.48 -0.36 -3.57 118.94 125.49 1pjz s TRP 85 Ca 0.01 -1.18 -0.27 0.00 -1.06 0.00 0.00 56.10 53.59 1pjz s TRP 85 Cb -0.19 -3.78 -0.09 0.00 -1.16 0.00 0.00 33.47 28.25 1pjz s TRP 85 CO 0.05 -1.05 1.16 0.00 -4.06 0.00 0.00 176.95 173.05 1pjz n GLY 87 N 0.85 1.12 3.36 0.00 0.00 0.16 0.03 105.19 110.72 1pjz n GLY 87 Ca 0.01 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 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 2.33 -0.26 1.61 2.15 -0.10 -0.39 116.67 118.01 1pjz s ASP 88 Ca 0.00 -1.15 0.02 0.00 0.43 0.00 0.00 52.55 51.86 1pjz s ASP 88 Cb 0.00 -0.09 0.07 0.00 -0.30 0.00 0.00 42.92 42.60 1pjz s ASP 88 CO 0.00 -0.36 -0.07 0.12 -0.17 0.00 0.00 175.17 174.68 1pjz s PHE 89 N -3.17 3.09 0.00 -5.34 2.19 -1.26 -4.52 117.98 108.96 1pjz s PHE 89 Ca 0.26 -2.26 0.00 0.00 0.33 0.00 0.00 56.93 55.26 1pjz s PHE 89 Cb 0.03 -1.96 0.00 0.00 -1.31 0.00 0.00 43.02 39.79 1pjz s PHE 89 CO 0.09 -0.86 0.00 1.19 1.83 0.00 0.00 175.22 177.46 1pjz n PHE 90 N 4.48 0.00 0.00 10.12 3.01 -1.26 -5.05 117.46 128.76 1pjz n PHE 90 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1pjz n PHE 90 Cb 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pjz n ALA 91 N 0.00 2.50 -1.62 4.37 0.00 -1.26 -5.11 120.51 119.39 1pjz n ALA 91 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1pjz n ALA 91 Cb 0.00 0.05 0.19 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.07 0.00 -3.74 0.00 -0.00 -1.26 -5.04 117.00 104.89 1pjz n LEU 92 Ca 0.00 -1.23 -0.28 0.00 -0.00 0.00 0.00 56.01 54.50 1pjz n LEU 92 Cb 0.05 -0.90 -0.11 0.00 -0.00 0.00 0.00 43.42 42.45 1pjz n LEU 92 CO 0.00 -1.52 -0.12 -0.89 -0.00 0.00 0.00 177.39 174.86 1pjz s THR 93 N -3.38 2.08 0.65 1.47 2.01 -1.26 -4.92 115.64 112.29 1pjz s THR 93 Ca 0.66 -3.76 0.15 0.00 0.31 0.00 0.00 61.69 59.04 1pjz s THR 93 Cb -0.03 -2.38 0.18 0.00 0.01 0.00 0.00 72.50 70.28 1pjz s THR 93 CO 0.47 -1.08 1.36 0.00 -0.69 0.00 0.00 174.62 174.68 1pjz h ALA 94 N 5.47 2.03 0.09 7.40 0.00 -1.87 0.72 119.26 133.10 1pjz h ALA 94 Ca 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pjz h ALA 94 Cb 0.80 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1pjz h ALA 94 CO 0.61 -0.95 -0.04 -0.09 0.00 0.00 0.00 179.25 178.78 1pjz h ARG 95 N 0.00 -0.11 0.20 0.00 2.43 0.43 0.46 114.38 117.78 1pjz h ARG 95 Ca 0.11 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1pjz h ARG 95 Cb 1.77 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.35 1pjz h ARG 95 CO -0.00 0.31 -0.10 0.22 -1.51 0.00 0.00 179.97 178.89 1pjz h ASP 96 N -0.96 -0.23 0.06 -3.80 1.82 0.02 0.12 116.42 113.45 1pjz h ASP 96 Ca -0.01 -0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1pjz h ASP 96 Cb 0.48 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.55 1pjz h ASP 96 CO 0.02 -0.09 -0.03 -0.29 -1.61 0.00 0.00 179.24 177.24 1pjz h ILE 97 N -0.36 1.11 0.00 2.25 2.10 -0.79 -3.34 117.51 118.48 1pjz h ILE 97 Ca -0.03 -0.55 0.00 0.00 1.08 0.00 0.00 64.86 65.37 1pjz h ILE 97 Cb 0.28 1.47 0.00 0.00 -1.09 0.00 0.00 36.82 37.47 1pjz h ILE 97 CO 0.05 0.14 0.00 0.61 -1.08 0.00 0.00 178.15 177.86 1pjz n GLY 98 N -0.46 -3.17 5.49 8.18 0.00 0.16 -4.74 105.19 110.64 1pjz n GLY 98 Ca -0.08 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.92 0.00 -3.83 1.61 -0.00 0.40 -4.34 115.22 108.13 1pjz n HIS 99 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 1pjz n HIS 99 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 29.88 1pjz n HIS 99 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1pjz n ALA 101 N 2.49 0.00 -3.84 0.00 0.00 -0.05 -1.78 120.51 117.34 1pjz n ALA 101 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.24 1pjz n ALA 101 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.04 1pjz n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz s ALA 102 N -1.00 -1.38 -0.20 0.00 0.00 -0.66 -0.63 121.76 117.88 1pjz s ALA 102 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.54 1pjz s ALA 102 Cb 0.00 0.72 0.09 0.00 0.00 0.00 0.00 23.12 23.93 1pjz s ALA 102 CO 0.00 -1.04 0.44 0.12 0.00 0.00 0.00 175.76 175.28 1pjz s PHE 103 N -2.48 -0.83 -0.17 0.00 5.36 -0.30 -1.14 117.98 118.42 1pjz s PHE 103 Ca 0.18 1.57 -0.09 0.00 -0.96 0.00 0.00 56.93 57.64 1pjz s PHE 103 Cb -0.03 0.34 -0.05 0.00 -0.34 0.00 0.00 43.02 42.94 1pjz s PHE 103 CO 0.06 -0.49 0.12 -0.47 -1.46 0.00 0.00 175.22 172.99 1pjz s TYR 104 N 2.56 3.44 0.16 10.12 5.04 0.15 0.23 117.35 139.06 1pjz s TYR 104 Ca -0.02 0.36 0.08 0.00 -2.44 0.00 0.00 57.07 55.04 1pjz s TYR 104 Cb -0.12 -2.08 -0.04 0.00 0.35 0.00 0.00 41.96 40.07 1pjz s TYR 104 CO -0.13 0.40 -0.17 0.34 -1.34 0.00 0.00 175.55 174.65 1pjz s ASP 105 N -0.04 2.54 0.39 4.32 -1.08 -0.40 -3.61 116.67 118.79 1pjz s ASP 105 Ca 0.10 -0.88 0.04 0.00 -0.52 0.00 0.00 52.55 51.29 1pjz s ASP 105 Cb -0.11 -0.14 -0.06 0.00 -1.46 0.00 0.00 42.92 41.15 1pjz s ASP 105 CO -0.00 -0.08 0.04 0.00 0.52 0.00 0.00 175.17 175.65 1pjz s ARG 106 N -2.93 1.86 -0.66 4.34 1.04 -1.26 -0.23 118.95 121.11 1pjz s ARG 106 Ca 0.16 -2.08 -0.29 0.00 -1.04 0.00 0.00 55.73 52.48 1pjz s ARG 106 Cb -0.05 -1.18 -0.13 0.00 -2.04 0.00 0.00 34.95 31.55 1pjz s ARG 106 CO 0.06 -0.20 2.49 0.00 -0.04 0.00 0.00 175.30 177.61 1pjz n ALA 107 N -0.88 0.64 0.04 7.88 0.00 0.42 -4.50 120.51 124.11 1pjz n ALA 107 Ca -0.06 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1pjz n ALA 107 Cb 0.67 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.36 1pjz n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz n ALA 108 N 12.94 3.00 0.19 0.00 0.00 -1.26 -4.82 120.51 130.56 1pjz n ALA 108 Ca 0.49 0.00 0.18 0.00 0.00 0.00 0.00 53.44 54.11 1pjz n ALA 108 Cb 0.30 0.02 0.82 0.00 0.00 0.00 0.00 19.45 20.60 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 -0.02 0.00 -0.00 -1.92 0.29 114.93 113.28 1pjz h MET 109 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.71 1pjz h MET 109 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1pjz h MET 109 CO 0.00 0.00 0.02 -0.84 -0.00 0.00 0.00 176.91 176.09 1pjz h ILE 110 N 0.00 0.87 0.19 -0.10 -0.00 -1.91 -2.47 117.51 114.09 1pjz h ILE 110 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.95 1pjz h ILE 110 Cb 0.64 0.99 0.00 0.00 -0.00 0.00 0.00 36.82 38.45 1pjz h ILE 110 CO -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 178.15 178.06 1pjz h ALA 111 N 1.99 -0.26 -2.23 0.16 0.00 -0.63 1.09 119.26 119.38 1pjz h ALA 111 Ca 0.01 -0.20 -0.47 0.00 0.00 0.00 0.00 54.91 54.26 1pjz h ALA 111 Cb 0.04 0.10 0.19 0.00 0.00 0.00 0.00 17.79 18.12 1pjz h ALA 111 CO -0.00 -0.30 0.13 -0.48 0.00 0.00 0.00 179.25 178.59 1pjz s LEU 112 N -8.94 1.64 1.08 0.00 2.34 -0.93 -4.74 118.68 109.14 1pjz s LEU 112 Ca -0.11 1.63 -0.18 0.00 0.06 0.00 0.00 54.13 55.54 1pjz s LEU 112 Cb 0.00 -3.78 0.24 0.00 -0.56 0.00 0.00 46.19 42.10 1pjz s LEU 112 CO 0.39 -3.54 1.22 -2.16 -1.06 0.00 0.00 176.35 171.20 1pjz s PRO 113 N -4.65 -0.31 0.03 1.48 0.04 -1.26 -4.69 135.00 125.64 1pjz s PRO 113 Ca 0.67 -0.26 -0.17 0.00 0.04 0.00 0.00 61.00 61.28 1pjz s PRO 113 Cb -0.22 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 1pjz s PRO 113 CO 0.61 -3.07 1.25 0.00 0.04 0.00 0.00 177.00 175.83 1pjz h ALA 114 N -2.12 -1.06 -0.94 8.56 0.00 -1.95 0.87 119.26 122.62 1pjz h ALA 114 Ca -0.44 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.51 1pjz h ALA 114 Cb 1.26 0.34 -0.16 0.00 0.00 0.00 0.00 17.79 19.24 1pjz h ALA 114 CO 0.35 -1.04 -0.34 -0.25 0.00 0.00 0.00 179.25 177.98 1pjz n ASP 115 N -3.68 -0.55 -0.24 0.00 9.92 -1.26 0.15 116.55 120.90 1pjz n ASP 115 Ca -0.07 1.64 -0.06 0.00 -0.53 0.00 0.00 54.79 55.77 1pjz n ASP 115 Cb 0.23 -0.40 0.04 0.00 -0.64 0.00 0.00 41.12 40.34 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 0.93 -0.79 -1.24 4.05 -1.86 -1.39 114.93 114.63 1pjz h MET 116 Ca 0.36 -0.12 0.08 0.00 -0.28 0.00 0.00 59.70 59.74 1pjz h MET 116 Cb 0.59 -0.18 -0.07 0.00 -0.80 0.00 0.00 31.60 31.15 1pjz h MET 116 CO -0.95 0.72 0.45 0.00 0.23 0.00 0.00 176.91 177.36 1pjz h ARG 117 N 0.90 0.75 -0.32 0.39 3.08 0.89 0.47 114.38 120.54 1pjz h ARG 117 Ca 0.23 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 1pjz h ARG 117 Cb 0.07 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1pjz h ARG 117 CO -0.03 0.50 0.02 0.93 -1.07 0.00 0.00 179.97 180.32 1pjz h GLU 118 N 0.78 0.55 0.00 0.04 5.08 0.06 -0.57 114.58 120.51 1pjz h GLU 118 Ca 0.37 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1pjz h GLU 118 Cb 0.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1pjz h GLU 118 CO -0.23 0.67 -0.18 0.00 -1.00 0.00 0.00 179.01 178.27 1pjz h ARG 119 N 0.37 0.00 0.09 2.33 2.47 -0.33 -0.08 114.38 119.23 1pjz h ARG 119 Ca 0.09 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1pjz h ARG 119 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1pjz h ARG 119 CO 0.01 0.18 -0.04 -0.92 0.56 0.00 0.00 179.97 179.75 1pjz h TYR 120 N 0.00 -0.11 -0.23 3.04 5.03 0.39 -0.66 116.97 124.43 1pjz h TYR 120 Ca -0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1pjz h TYR 120 Cb 0.42 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 1pjz h TYR 120 CO 0.00 0.41 0.15 -0.39 -1.32 0.00 0.00 178.16 177.02 1pjz h VAL 121 N -0.86 1.06 -0.28 1.81 -1.51 -0.99 0.33 116.25 115.81 1pjz h VAL 121 Ca -0.01 -0.12 0.01 0.00 -1.23 0.00 0.00 66.70 65.35 1pjz h VAL 121 Cb 0.58 0.73 -0.02 0.00 -2.13 0.00 0.00 31.29 30.45 1pjz h VAL 121 CO 0.02 0.06 0.17 0.06 -1.23 0.00 0.00 177.57 176.65 1pjz h GLN 122 N 0.31 0.34 -0.84 5.19 3.07 -1.11 0.17 115.11 122.24 1pjz h GLN 122 Ca 0.08 -0.02 0.07 0.00 0.09 0.00 0.00 58.65 58.88 1pjz h GLN 122 Cb -0.03 -0.08 -0.05 0.00 0.08 0.00 0.00 27.48 27.40 1pjz h GLN 122 CO -0.02 0.22 0.54 0.45 0.09 0.00 0.00 178.83 180.12 1pjz h HIS 123 N 0.35 0.92 0.32 0.06 3.86 -0.75 0.36 115.15 120.27 1pjz h HIS 123 Ca 0.11 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1pjz h HIS 123 Cb -0.02 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.15 1pjz h HIS 123 CO -0.07 0.47 -0.15 1.25 0.86 0.00 0.00 177.93 180.29 1pjz h LEU 124 N 0.89 -0.36 -1.56 2.43 7.12 -0.03 -1.41 115.31 122.40 1pjz h LEU 124 Ca 0.37 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.39 1pjz h LEU 124 Cb 0.27 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1pjz h LEU 124 CO -0.14 -0.16 0.33 1.05 -0.13 0.00 0.00 178.44 179.40 1pjz h GLU 125 N -0.63 0.00 0.18 1.25 -0.00 -0.50 0.98 114.58 115.87 1pjz h GLU 125 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.31 1pjz h GLU 125 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.08 1pjz h GLU 125 CO 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 179.01 178.99 1pjz h ALA 126 N 1.27 -0.25 -0.26 1.06 0.00 -0.07 -3.28 119.26 117.73 1pjz h ALA 126 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pjz h ALA 126 Cb 0.67 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1pjz h ALA 126 CO 0.00 -0.23 0.00 1.47 0.00 0.00 0.00 179.25 180.49 1pjz n LEU 127 N -4.94 3.00 -4.95 0.00 -0.00 -0.32 -4.90 117.00 104.89 1pjz n LEU 127 Ca -0.03 -1.52 -0.28 0.00 -0.00 0.00 0.00 56.01 54.18 1pjz n LEU 127 Cb 0.10 -0.56 0.15 0.00 -0.00 0.00 0.00 43.42 43.12 1pjz n LEU 127 CO 0.08 0.42 0.75 -0.04 -0.00 0.00 0.00 177.39 178.60 1pjz s MET 128 N -1.77 1.13 0.00 1.47 -1.94 0.33 0.29 119.30 118.81 1pjz s MET 128 Ca 0.24 -0.60 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 1pjz s MET 128 Cb 0.18 -2.02 0.00 0.00 2.01 0.00 0.00 34.83 35.00 1pjz s MET 128 CO 0.08 -2.00 0.00 -0.35 -0.01 0.00 0.00 175.02 172.74 1pjz n PRO 129 N -3.40 0.58 -0.08 2.03 -0.04 -1.24 -3.59 135.00 129.26 1pjz n PRO 129 Ca 0.14 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.45 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 0.94 -0.04 0.00 0.00 175.50 176.40 1pjz n GLN 130 N -0.35 0.34 -3.72 0.54 0.00 -0.24 -4.88 117.38 109.06 1pjz n GLN 130 Ca 0.00 0.13 -0.30 0.00 -0.00 0.00 0.00 57.00 56.83 1pjz n GLN 130 Cb 0.00 -1.11 -0.15 0.00 0.00 0.00 0.00 30.24 28.99 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pjz s ALA 131 N -2.28 1.61 0.04 1.69 0.00 -0.70 -3.67 121.76 118.44 1pjz s ALA 131 Ca -0.21 -1.81 -0.22 0.00 0.00 0.00 0.00 51.96 49.72 1pjz s ALA 131 Cb 0.07 -1.66 0.05 0.00 0.00 0.00 0.00 23.12 21.58 1pjz s ALA 131 CO 0.29 -1.74 0.50 0.00 0.00 0.00 0.00 175.76 174.81 1pjz s SER 133 N -1.90 5.85 0.28 0.00 1.04 0.20 0.36 113.70 119.52 1pjz s SER 133 Ca -0.06 -0.89 -0.07 0.00 0.48 0.00 0.00 55.95 55.40 1pjz s SER 133 Cb -0.01 -2.07 -0.06 0.00 0.10 0.00 0.00 66.02 63.98 1pjz s SER 133 CO -0.01 -0.38 0.58 -0.83 0.98 0.00 0.00 173.24 173.58 1pjz s GLY 134 N 1.61 2.03 -0.30 7.32 0.00 0.24 -1.15 107.32 117.07 1pjz s GLY 134 Ca 0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 44.72 44.32 1pjz s GLY 134 CO 0.08 -0.27 0.18 -2.27 0.00 0.00 0.00 173.10 170.81 1pjz s LEU 135 N -3.30 0.43 0.07 0.66 2.96 0.14 0.22 118.68 119.86 1pjz s LEU 135 Ca 0.46 -1.30 -0.29 0.00 -0.22 0.00 0.00 54.13 52.78 1pjz s LEU 135 Cb -0.11 -0.17 -0.05 0.00 0.50 0.00 0.00 46.19 46.36 1pjz s LEU 135 CO 0.27 -0.41 0.93 -0.22 -1.32 0.00 0.00 176.35 175.60 1pjz s LEU 136 N 2.02 4.45 -0.45 -0.68 0.20 0.78 -1.27 118.68 123.73 1pjz s LEU 136 Ca 0.10 1.69 0.04 0.00 0.69 0.00 0.00 54.13 56.65 1pjz s LEU 136 Cb -0.16 -3.52 0.12 0.00 -0.43 0.00 0.00 46.19 42.20 1pjz s LEU 136 CO -0.31 -0.10 0.19 -0.63 -0.29 0.00 0.00 176.35 175.21 1pjz s ILE 137 N 0.27 2.34 0.22 6.68 -1.09 0.68 -0.05 121.20 130.25 1pjz s ILE 137 Ca 0.47 -2.91 0.06 0.00 -2.23 0.00 0.00 60.65 56.04 1pjz s ILE 137 Cb -0.22 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 1pjz s ILE 137 CO 0.28 -0.74 0.22 0.42 -1.23 0.00 0.00 174.94 173.89 1pjz s THR 138 N 0.18 4.69 0.75 2.92 -4.23 0.98 0.16 115.64 121.08 1pjz s THR 138 Ca 0.15 -1.20 -0.04 0.00 -1.18 0.00 0.00 61.69 59.42 1pjz s THR 138 Cb -0.24 -3.50 0.13 0.00 1.34 0.00 0.00 72.50 70.23 1pjz s THR 138 CO -0.03 -0.28 1.04 -1.48 -0.54 0.00 0.00 174.62 173.32 1pjz s LEU 139 N -3.68 2.94 0.00 4.79 2.34 -1.26 0.73 118.68 124.53 1pjz s LEU 139 Ca 0.33 -0.18 0.00 0.00 0.06 0.00 0.00 54.13 54.34 1pjz s LEU 139 Cb -0.09 -2.17 0.00 0.00 -0.56 0.00 0.00 46.19 43.37 1pjz s LEU 139 CO 0.26 -1.94 0.00 -0.62 -1.06 0.00 0.00 176.35 172.99 1pjz n GLU 140 N -2.96 0.00 -0.08 1.48 -0.58 0.13 -4.25 120.64 114.38 1pjz n GLU 140 Ca 0.14 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.86 1pjz n GLU 140 Cb 0.60 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.45 1pjz n GLU 140 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1pjz n TYR 141 N 0.00 -0.09 -0.62 -0.32 9.36 -1.25 -4.44 117.16 119.80 1pjz n TYR 141 Ca 0.00 0.25 -0.20 0.00 3.32 0.00 0.00 57.90 61.27 1pjz n TYR 141 Cb 0.00 -0.43 -0.01 0.00 -0.63 0.00 0.00 39.34 38.27 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 -3.85 -1.05 0.00 2.98 5.68 -1.26 -4.73 116.55 114.31 1pjz n ASP 142 Ca 0.00 0.43 0.00 0.00 -0.50 0.00 0.00 54.79 54.72 1pjz n ASP 142 Cb 0.05 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 1pjz n ASP 142 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pjz n GLN 143 N 0.56 0.00 -3.04 0.11 10.64 -1.26 -4.76 117.38 119.63 1pjz n GLN 143 Ca 0.06 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 54.97 1pjz n GLN 143 Cb 0.16 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.49 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 -0.19 4.25 0.00 2.61 0.00 -1.26 -4.59 120.51 121.33 1pjz n ALA 144 Ca 0.00 -4.54 0.00 0.00 0.00 0.00 0.00 53.44 48.90 1pjz n ALA 144 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1pjz n ALA 144 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1pjz n LEU 145 N -0.01 0.00 -4.70 0.00 -0.00 -1.26 -5.12 117.00 105.90 1pjz n LEU 145 Ca 0.30 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.90 1pjz n LEU 145 Cb 0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.81 1pjz n LEU 145 CO 0.33 0.00 0.59 -0.22 -0.00 0.00 0.00 177.39 178.09 1pjz s LEU 146 N 0.00 4.30 -0.80 1.47 1.98 -1.26 -4.75 118.68 119.61 1pjz s LEU 146 Ca 0.00 1.40 -0.32 0.00 -2.89 0.00 0.00 54.13 52.31 1pjz s LEU 146 Cb 0.00 -3.34 -0.19 0.00 0.66 0.00 0.00 46.19 43.32 1pjz s LEU 146 CO 0.00 -0.26 2.54 -0.62 -1.89 0.00 0.00 176.35 176.12 1pjz n GLU 147 N 4.24 0.24 0.00 1.98 1.02 -1.26 -4.34 120.64 122.52 1pjz n GLU 147 Ca 0.04 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1pjz n GLU 147 Cb 0.50 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1pjz n GLU 147 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pjz n GLY 148 N 6.57 0.25 3.60 0.62 0.00 -1.26 -4.90 105.19 110.07 1pjz n GLY 148 Ca 0.58 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 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 -4.25 3.61 0.70 1.61 0.04 -1.26 -4.90 135.00 130.55 1pjz s PRO 149 Ca 0.00 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 61.91 1pjz s PRO 149 Cb 0.00 -4.01 0.01 0.00 0.04 0.00 0.00 34.50 30.54 1pjz s PRO 149 CO 0.00 -1.52 1.06 -1.25 0.04 0.00 0.00 177.00 175.33 1pjz s PRO 150 N 4.86 2.88 -0.07 0.56 0.04 -1.26 -4.45 135.00 137.56 1pjz s PRO 150 Ca 0.61 0.94 0.11 0.00 0.04 0.00 0.00 61.00 62.70 1pjz s PRO 150 Cb -0.14 -1.98 0.27 0.00 0.04 0.00 0.00 34.50 32.69 1pjz s PRO 150 CO 0.32 -1.14 1.21 1.19 0.04 0.00 0.00 177.00 178.61 1pjz n PHE 151 N -3.15 0.36 -3.89 0.56 3.01 0.38 -4.92 117.46 109.80 1pjz n PHE 151 Ca 0.07 -0.68 -0.25 0.00 1.01 0.00 0.00 57.45 57.61 1pjz n PHE 151 Cb 0.54 -0.12 -0.07 0.00 -0.01 0.00 0.00 39.48 39.81 1pjz n PHE 151 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1pjz n SER 152 N -0.36 0.48 -3.68 4.37 3.41 -1.26 -4.49 113.62 112.08 1pjz n SER 152 Ca 0.12 -0.98 -0.52 0.00 -0.26 0.00 0.00 58.87 57.22 1pjz n SER 152 Cb 0.53 -1.22 -0.10 0.00 -0.26 0.00 0.00 64.21 63.15 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 -3.69 0.00 -2.48 -3.33 3.14 -1.26 -4.81 118.33 105.90 1pjz n VAL 153 Ca -0.21 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.75 1pjz n VAL 153 Cb 0.51 -0.43 -0.04 0.00 -1.06 0.00 0.00 33.84 32.83 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 4.73 4.52 0.25 1.45 0.04 -1.26 -4.93 135.00 139.80 1pjz s PRO 154 Ca 1.00 1.74 -0.06 0.00 0.04 0.00 0.00 61.00 63.72 1pjz s PRO 154 Cb -1.28 -3.31 0.47 0.00 0.04 0.00 0.00 34.50 30.42 1pjz s PRO 154 CO 0.58 -0.07 1.63 0.37 0.04 0.00 0.00 177.00 179.56 1pjz h GLN 155 N 5.81 0.10 -0.86 4.56 -0.00 -1.98 0.47 115.11 123.22 1pjz h GLN 155 Ca -0.43 -0.01 0.21 0.00 -0.00 0.00 0.00 58.65 58.42 1pjz h GLN 155 Cb 1.21 -0.02 -0.12 0.00 0.00 0.00 0.00 27.48 28.55 1pjz h GLN 155 CO 0.76 0.07 0.32 0.00 0.00 0.00 0.00 178.83 179.98 1pjz h THR 156 N 0.11 0.47 -0.31 2.39 1.03 -1.97 0.53 112.91 115.16 1pjz h THR 156 Ca 0.43 -0.12 -0.01 0.00 -0.01 0.00 0.00 66.41 66.70 1pjz h THR 156 Cb 0.77 0.09 -0.01 0.00 -1.07 0.00 0.00 68.15 67.93 1pjz h THR 156 CO -0.68 0.06 0.15 -0.25 -0.01 0.00 0.00 175.52 174.80 1pjz h TRP 157 N 0.35 0.44 -0.99 0.00 7.01 -0.46 0.60 115.95 122.90 1pjz h TRP 157 Ca 0.52 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.58 1pjz h TRP 157 Cb 0.97 -0.14 -0.07 0.00 -2.10 0.00 0.00 29.16 27.82 1pjz h TRP 157 CO -0.18 0.39 0.63 1.25 -2.79 0.00 0.00 178.44 177.74 1pjz h LEU 158 N 0.37 1.00 -0.25 0.65 5.85 0.61 0.52 115.31 124.05 1pjz h LEU 158 Ca 0.11 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1pjz h LEU 158 Cb 0.11 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1pjz h LEU 158 CO -0.01 0.61 0.00 -0.74 -0.34 0.00 0.00 178.44 177.96 1pjz h HIS 159 N 1.12 0.00 0.19 1.25 -0.00 0.46 1.82 115.15 119.99 1pjz h HIS 159 Ca 0.44 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.49 1pjz h HIS 159 Cb 0.24 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 27.67 1pjz h HIS 159 CO -0.01 0.00 -1.49 0.07 -0.00 0.00 0.00 177.93 176.50 1pjz h ARG 160 N 0.00 0.40 0.00 5.26 0.11 0.43 -3.33 114.38 117.25 1pjz h ARG 160 Ca 0.00 -0.68 -0.03 0.00 0.10 0.00 0.00 59.98 59.37 1pjz h ARG 160 Cb 0.77 0.25 -0.00 0.00 1.11 0.00 0.00 29.97 32.10 1pjz h ARG 160 CO 0.00 1.31 -0.52 1.55 0.10 0.00 0.00 179.97 182.41 1pjz n VAL 161 N -3.60 1.15 0.00 0.08 3.14 0.14 -4.56 118.33 114.68 1pjz n VAL 161 Ca -0.16 0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1pjz n VAL 161 Cb 1.07 -1.77 0.00 0.00 -1.06 0.00 0.00 33.84 32.08 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 -3.46 1.45 2.81 0.61 -4.19 117.12 110.63 1pjz n MET 162 Ca -0.06 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.40 1pjz n MET 162 Cb 0.24 -1.18 -0.07 0.00 -0.71 0.00 0.00 33.22 31.50 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 5.91 0.00 7.83 0.15 -0.46 -4.37 113.70 120.95 1pjz s SER 163 Ca 0.00 -1.75 0.00 0.00 0.70 0.00 0.00 55.95 54.90 1pjz s SER 163 Cb 0.00 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1pjz s SER 163 CO 0.00 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1pjz n GLY 164 N 5.06 -0.61 0.00 9.45 0.00 -1.26 -4.91 105.19 112.92 1pjz n GLY 164 Ca -0.11 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1pjz n GLY 164 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pjz n ASN 165 N 0.00 0.00 -3.73 1.61 4.13 -1.26 -5.11 115.26 110.90 1pjz n ASN 165 Ca 0.00 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.13 1pjz n ASN 165 Cb 0.00 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.11 1pjz n ASN 165 CO 0.00 0.00 0.00 -1.66 0.28 0.00 0.00 177.26 175.88 1pjz s TRP 166 N 0.00 -0.29 -0.88 3.10 -2.14 -1.25 -0.93 118.94 116.54 1pjz s TRP 166 Ca 0.00 0.71 -0.21 0.00 2.66 0.00 0.00 56.10 59.26 1pjz s TRP 166 Cb 0.00 0.01 0.09 0.00 -3.10 0.00 0.00 33.47 30.48 1pjz s TRP 166 CO 0.00 -0.21 1.18 -1.21 -2.66 0.00 0.00 176.95 174.04 1pjz s GLU 167 N 1.22 3.47 0.15 3.25 0.41 -0.52 -4.51 118.70 122.16 1pjz s GLU 167 Ca -0.09 -1.33 -0.30 0.00 -0.41 0.00 0.00 54.97 52.84 1pjz s GLU 167 Cb -0.11 -4.83 -0.07 0.00 -1.78 0.00 0.00 34.13 27.34 1pjz s GLU 167 CO -0.08 -1.91 0.98 0.08 -0.49 0.00 0.00 175.26 173.85 1pjz s VAL 168 N 3.68 4.31 -0.05 2.63 1.01 -1.24 0.24 120.40 130.98 1pjz s VAL 168 Ca 0.34 2.00 0.04 0.00 0.00 0.00 0.00 61.98 64.35 1pjz s VAL 168 Cb -0.06 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1pjz s VAL 168 CO -0.04 0.35 -0.16 0.28 0.00 0.00 0.00 175.10 175.53 1pjz s THR 169 N -0.27 1.33 0.09 3.92 -1.32 0.16 -4.87 115.64 114.68 1pjz s THR 169 Ca 0.46 -0.65 -0.34 0.00 -1.21 0.00 0.00 61.69 59.95 1pjz s THR 169 Cb -0.25 -1.16 -0.13 0.00 -1.51 0.00 0.00 72.50 69.45 1pjz s THR 169 CO 0.31 0.39 1.65 2.29 -2.21 0.00 0.00 174.62 177.05 1pjz n LYS 170 N 3.28 2.11 -2.20 7.08 2.85 -1.26 -0.84 118.16 129.17 1pjz n LYS 170 Ca -0.19 0.76 -0.02 0.00 -1.05 0.00 0.00 58.31 57.81 1pjz n LYS 170 Cb 0.53 -2.55 0.01 0.00 -0.65 0.00 0.00 35.03 32.37 1pjz n LYS 170 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1pjz n VAL 171 N 3.85 0.00 0.00 0.58 3.14 0.32 -4.84 118.33 121.38 1pjz n VAL 171 Ca 0.19 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 1pjz n VAL 171 Cb 0.28 0.34 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 1pjz n VAL 171 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pjz n GLY 172 N -0.24 0.15 3.63 7.55 0.00 -1.23 -0.80 105.19 114.26 1pjz n GLY 172 Ca -0.02 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.39 0.34 -0.02 0.00 -0.40 -4.85 107.32 102.00 1pjz s GLY 173 Ca 0.00 2.33 0.04 0.00 0.00 0.00 0.00 44.72 47.09 1pjz s GLY 173 CO 0.00 1.87 0.50 -0.86 0.00 0.00 0.00 173.10 174.60 1pjz s GLN 174 N 0.47 3.26 -0.67 2.90 -2.07 -1.26 -1.15 119.66 121.14 1pjz s GLN 174 Ca -0.00 -0.72 0.00 0.00 -1.82 0.00 0.00 55.36 52.82 1pjz s GLN 174 Cb -0.05 -2.76 0.00 0.00 -1.09 0.00 0.00 33.01 29.11 1pjz s GLN 174 CO -0.04 0.11 0.00 -3.47 -1.32 0.00 0.00 175.29 170.57 1pjz n ASP 175 N -1.69 -2.16 -4.03 12.60 2.03 -1.21 -4.80 116.55 117.29 1pjz n ASP 175 Ca -0.03 0.24 -0.40 0.00 0.52 0.00 0.00 54.79 55.12 1pjz n ASP 175 Cb 0.57 -2.09 -0.02 0.00 -0.72 0.00 0.00 41.12 38.87 1pjz n ASP 175 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1pjz n THR 176 N -2.12 4.39 -0.22 5.18 5.66 -0.82 -4.72 114.28 121.63 1pjz n THR 176 Ca -0.07 -5.58 -0.06 0.00 -3.05 0.00 0.00 64.05 55.28 1pjz n THR 176 Cb 0.37 -2.25 0.04 0.00 -1.55 0.00 0.00 70.33 66.93 1pjz n THR 176 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1pjz h LEU 177 N 5.65 0.78 -5.56 1.09 7.12 -1.85 -3.17 115.31 119.37 1pjz h LEU 177 Ca 0.19 -0.09 -0.66 0.00 0.13 0.00 0.00 57.88 57.45 1pjz h LEU 177 Cb 0.71 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 1pjz h LEU 177 CO 1.12 0.65 3.34 1.41 -0.13 0.00 0.00 178.44 184.82 1pjz n HIS 178 N -4.56 2.75 0.00 1.25 8.25 -1.26 -3.03 115.22 118.62 1pjz n HIS 178 Ca 0.04 -2.85 0.00 0.00 -0.26 0.00 0.00 57.72 54.65 1pjz n HIS 178 Cb 0.09 -2.39 0.00 0.00 1.12 0.00 0.00 29.99 28.80 1pjz n HIS 178 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pjz n SER 179 N 4.97 0.00 -4.51 0.41 2.88 -1.20 -4.90 113.62 111.28 1pjz n SER 179 Ca 0.63 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.74 1pjz n SER 179 Cb 0.30 0.08 -0.06 0.00 -0.75 0.00 0.00 64.21 63.78 1pjz n SER 179 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pjz s SER 180 N -1.21 6.33 0.19 -3.46 0.15 -1.17 -4.12 113.70 110.42 1pjz s SER 180 Ca 0.00 -0.39 -0.21 0.00 0.70 0.00 0.00 55.95 56.05 1pjz s SER 180 Cb 0.00 -2.35 0.12 0.00 -1.71 0.00 0.00 66.02 62.09 1pjz s SER 180 CO 0.00 -0.90 1.58 0.00 1.20 0.00 0.00 173.24 175.12 1pjz h ALA 181 N 8.99 -0.05 -0.95 5.45 0.00 -1.97 1.42 119.26 132.15 1pjz h ALA 181 Ca -0.26 0.17 0.27 0.00 0.00 0.00 0.00 54.91 55.09 1pjz h ALA 181 Cb 1.09 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 19.64 1pjz h ALA 181 CO 0.95 -0.68 0.90 0.00 0.00 0.00 0.00 179.25 180.42 1pjz h ARG 182 N -0.16 0.00 -0.23 0.00 3.08 -1.96 0.50 114.38 115.61 1pjz h ARG 182 Ca 0.23 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.30 1pjz h ARG 182 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1pjz h ARG 182 CO -0.69 0.00 0.12 0.78 -1.07 0.00 0.00 179.97 179.10 1pjz h GLY 183 N 0.00 0.31 1.80 0.04 0.00 0.17 0.41 103.07 105.80 1pjz h GLY 183 Ca 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1pjz h GLY 183 CO -0.00 0.07 -0.22 1.41 0.00 0.00 0.00 176.54 177.79 1pjz h LEU 184 N 0.25 0.00 -0.46 3.11 -0.00 -0.11 0.92 115.31 119.01 1pjz h LEU 184 Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.93 1pjz h LEU 184 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1pjz h LEU 184 CO -0.06 0.03 -0.23 0.50 -0.00 0.00 0.00 178.44 178.68 1pjz h LYS 185 N 0.00 0.00 0.00 1.13 3.11 -0.30 -3.32 116.57 117.20 1pjz h LYS 185 Ca -0.00 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.60 1pjz h LYS 185 Cb 1.03 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.21 1pjz h LYS 185 CO 0.00 0.23 -1.90 0.00 -2.81 0.00 0.00 179.45 174.97 1pjz n ALA 186 N -2.18 1.67 -0.77 5.00 0.00 0.14 -4.98 120.51 119.40 1pjz n ALA 186 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1pjz n ALA 186 Cb 0.55 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1pjz n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pjz n GLY 187 N 2.73 0.23 0.00 0.00 0.00 0.31 -4.95 105.19 103.51 1pjz n GLY 187 Ca -0.28 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.49 0.26 -2.50 0.99 4.32 -0.93 -4.95 117.00 113.69 1pjz n LEU 188 Ca 0.00 -0.17 -0.07 0.00 -0.02 0.00 0.00 56.01 55.75 1pjz n LEU 188 Cb 0.24 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.02 1pjz n LEU 188 CO 0.00 0.06 -0.03 -1.84 -1.22 0.00 0.00 177.39 174.37 1pjz n GLU 189 N -1.82 -2.26 0.00 3.23 0.00 -1.26 -4.55 120.64 113.97 1pjz n GLU 189 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1pjz n GLU 189 Cb 0.36 -3.72 0.00 0.00 0.00 0.00 0.00 31.44 28.08 1pjz n GLU 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1pjz n ARG 190 N -2.32 0.00 -3.54 3.44 1.74 -1.26 -5.00 116.66 109.72 1pjz n ARG 190 Ca 0.02 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.00 1pjz n ARG 190 Cb 0.40 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.80 1pjz n ARG 190 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pjz s MET 191 N -0.08 0.73 -0.01 5.56 0.23 -1.26 -4.89 119.30 119.58 1pjz s MET 191 Ca 0.00 -0.02 -0.14 0.00 -1.03 0.00 0.00 55.69 54.50 1pjz s MET 191 Cb 0.00 0.34 -0.06 0.00 -1.53 0.00 0.00 34.83 33.58 1pjz s MET 191 CO 0.00 -0.27 0.39 0.34 -2.03 0.00 0.00 175.02 173.46 1pjz s ASP 192 N -1.66 6.78 -0.16 -1.18 -1.08 -1.26 -1.95 116.67 116.16 1pjz s ASP 192 Ca -0.00 0.93 0.00 0.00 -0.52 0.00 0.00 52.55 52.97 1pjz s ASP 192 Cb -0.01 -2.24 0.03 0.00 -1.46 0.00 0.00 42.92 39.24 1pjz s ASP 192 CO -0.02 0.32 -0.12 -0.70 0.52 0.00 0.00 175.17 175.18 1pjz s GLU 193 N -1.04 2.10 -0.24 4.34 2.12 -0.30 0.18 118.70 125.86 1pjz s GLU 193 Ca 0.23 -0.60 -0.09 0.00 0.36 0.00 0.00 54.97 54.87 1pjz s GLU 193 Cb -0.16 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.05 1pjz s GLU 193 CO 0.13 -0.30 0.13 -1.01 -0.54 0.00 0.00 175.26 173.67 1pjz s HIS 194 N 1.49 3.22 0.33 5.30 3.76 0.22 -1.27 115.29 128.35 1pjz s HIS 194 Ca 0.03 0.02 0.08 0.00 -0.15 0.00 0.00 55.06 55.04 1pjz s HIS 194 Cb -0.14 -2.26 -0.06 0.00 1.11 0.00 0.00 32.58 31.22 1pjz s HIS 194 CO -0.10 -0.08 -0.06 0.14 -0.85 0.00 0.00 174.74 173.79 1pjz s VAL 195 N 1.28 1.94 -0.07 -0.90 -7.23 0.02 -0.02 120.40 115.42 1pjz s VAL 195 Ca 0.06 -2.14 -0.12 0.00 -1.81 0.00 0.00 61.98 57.98 1pjz s VAL 195 Cb -0.14 -2.64 0.03 0.00 0.56 0.00 0.00 36.38 34.18 1pjz s VAL 195 CO 0.06 -0.19 0.29 -0.31 -0.31 0.00 0.00 175.10 174.63 1pjz s TYR 196 N -2.81 -0.25 -0.43 2.82 2.02 0.93 -0.52 117.35 119.11 1pjz s TYR 196 Ca 0.32 0.55 -0.14 0.00 -0.37 0.00 0.00 57.07 57.44 1pjz s TYR 196 Cb 0.04 0.09 0.05 0.00 -0.40 0.00 0.00 41.96 41.75 1pjz s TYR 196 CO 0.15 -0.25 0.32 0.54 -1.57 0.00 0.00 175.55 174.74 1pjz s VAL 197 N -0.47 4.99 -0.12 0.71 0.11 -0.02 -0.15 120.40 125.44 1pjz s VAL 197 Ca -0.06 -0.97 -0.13 0.00 -2.93 0.00 0.00 61.98 57.89 1pjz s VAL 197 Cb -0.04 -3.90 -0.05 0.00 -1.53 0.00 0.00 36.38 30.86 1pjz s VAL 197 CO 0.02 -0.44 0.30 -0.76 -3.33 0.00 0.00 175.10 170.89 1pjz s LEU 198 N 1.61 4.31 -0.82 2.54 1.43 0.13 0.37 118.68 128.25 1pjz s LEU 198 Ca 0.04 0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 53.59 1pjz s LEU 198 Cb -0.22 -2.39 0.18 0.00 0.03 0.00 0.00 46.19 43.79 1pjz s LEU 198 CO 0.07 0.18 0.84 -0.70 0.23 0.00 0.00 176.35 176.98 1pjz s GLU 199 N -0.06 3.51 -0.64 1.70 -6.30 0.14 0.79 118.70 117.84 1pjz s GLU 199 Ca 0.18 -2.12 -0.26 0.00 -2.50 0.00 0.00 54.97 50.27 1pjz s GLU 199 Cb -0.14 -4.54 -0.09 0.00 0.00 0.00 0.00 34.13 29.36 1pjz s GLU 199 CO 0.06 -1.45 2.37 0.50 0.02 0.00 0.00 175.26 176.76 1pjz s ARG 200 N 1.17 1.93 0.00 4.30 3.00 0.16 -1.45 118.95 128.06 1pjz s ARG 200 Ca 0.20 0.92 0.31 0.00 -1.00 0.00 0.00 55.73 56.16 1pjz s ARG 200 Cb -0.11 -4.68 1.60 0.00 0.00 0.00 0.00 34.95 31.76 1pjz s ARG 200 CO -0.07 -3.76 2.06 1.33 0.00 0.00 0.00 175.30 174.86