#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 -4.64 117.38 114.07 1pjz n GLN 2 Ca 0.00 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 1pjz n GLN 2 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 30.24 29.04 1pjz n GLN 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1pjz n SER 3 N -2.28 0.00 -3.41 1.08 2.88 -1.26 -3.91 113.62 106.72 1pjz n SER 3 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 1pjz n SER 3 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1pjz n SER 3 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1pjz s GLU 4 N 0.00 0.74 0.02 -1.46 1.03 -1.26 -5.11 118.70 112.66 1pjz s GLU 4 Ca 0.00 -1.71 0.04 0.00 0.03 0.00 0.00 54.97 53.33 1pjz s GLU 4 Cb 0.00 -1.31 -0.02 0.00 -0.80 0.00 0.00 34.13 32.01 1pjz s GLU 4 CO 0.00 -1.30 -0.12 0.54 -1.33 0.00 0.00 175.26 173.05 1pjz s VAL 5 N 0.56 0.90 -0.56 1.83 0.11 -1.25 -4.70 120.40 117.29 1pjz s VAL 5 Ca 0.26 -0.76 -0.25 0.00 -2.93 0.00 0.00 61.98 58.31 1pjz s VAL 5 Cb -0.08 -0.81 -0.14 0.00 -1.53 0.00 0.00 36.38 33.81 1pjz s VAL 5 CO -0.10 0.06 1.73 0.59 -3.33 0.00 0.00 175.10 174.04 1pjz n ASN 6 N 2.26 0.32 -0.32 3.54 3.02 -0.63 -4.67 115.26 118.78 1pjz n ASN 6 Ca -0.17 0.25 0.18 0.00 -0.03 0.00 0.00 54.58 54.81 1pjz n ASN 6 Cb 0.56 -0.63 0.37 0.00 -0.61 0.00 0.00 39.78 39.46 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 7.54 0.22 -0.63 3.52 5.09 -1.92 1.35 116.57 131.74 1pjz h LYS 7 Ca -0.05 -0.01 -0.05 0.00 0.09 0.00 0.00 60.65 60.63 1pjz h LYS 7 Cb 0.93 -0.05 -0.03 0.00 0.10 0.00 0.00 32.23 33.19 1pjz h LYS 7 CO 0.89 0.15 0.20 0.38 -2.09 0.00 0.00 179.45 178.97 1pjz h ASP 8 N 0.23 0.92 0.27 7.07 3.04 -1.97 0.39 116.42 126.38 1pjz h ASP 8 Ca 0.63 -0.21 -0.01 0.00 -3.24 0.00 0.00 57.03 54.21 1pjz h ASP 8 Cb 1.37 -0.24 -0.01 0.00 -1.04 0.00 0.00 39.33 39.42 1pjz h ASP 8 CO -0.66 0.88 -0.22 0.25 -2.04 0.00 0.00 179.24 177.46 1pjz h LEU 9 N 0.91 -0.57 -2.11 0.15 7.12 0.14 0.90 115.31 121.85 1pjz h LEU 9 Ca 0.20 0.04 0.05 0.00 0.13 0.00 0.00 57.88 58.31 1pjz h LEU 9 Cb 0.29 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.59 1pjz h LEU 9 CO -0.01 -0.30 0.15 0.06 -0.13 0.00 0.00 178.44 178.21 1pjz h GLN 10 N -0.47 0.00 0.00 1.25 -0.00 -1.02 0.16 115.11 115.03 1pjz h GLN 10 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1pjz h GLN 10 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.87 1pjz h GLN 10 CO 0.01 0.00 0.00 0.94 -0.00 0.00 0.00 178.83 179.78 1pjz n GLN 11 N -4.23 0.00 -0.29 0.06 7.27 0.14 -0.87 117.38 119.46 1pjz n GLN 11 Ca 0.01 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.17 1pjz n GLN 11 Cb 0.28 -0.67 0.21 0.00 2.41 0.00 0.00 30.24 32.47 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 -0.03 0.42 3.69 0.05 0.80 0.29 116.97 122.18 1pjz h TYR 12 Ca 0.00 0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 1pjz h TYR 12 Cb 0.00 0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 1pjz h TYR 12 CO 0.00 -0.30 -0.28 2.35 -1.05 0.00 0.00 178.16 178.88 1pjz h TRP 13 N 0.08 -0.74 -1.17 4.88 2.91 -0.80 2.56 115.95 123.68 1pjz h TRP 13 Ca 0.49 -0.01 0.34 0.00 1.13 0.00 0.00 58.89 60.84 1pjz h TRP 13 Cb 0.92 0.27 -0.09 0.00 -0.51 0.00 0.00 29.16 29.74 1pjz h TRP 13 CO -0.45 -0.42 0.78 1.03 -1.03 0.00 0.00 178.44 178.35 1pjz h SER 14 N -0.68 0.29 0.01 2.65 0.87 0.14 0.16 113.55 117.00 1pjz h SER 14 Ca -0.04 0.08 -0.13 0.00 -1.23 0.00 0.00 61.79 60.46 1pjz h SER 14 Cb 0.57 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1pjz h SER 14 CO 0.03 -0.01 -0.71 -1.28 -0.53 0.00 0.00 176.83 174.34 1pjz h SER 15 N 0.22 0.03 -0.80 6.23 0.87 0.42 -3.36 113.55 117.17 1pjz h SER 15 Ca 0.66 -0.76 0.14 0.00 -1.23 0.00 0.00 61.79 60.60 1pjz h SER 15 Cb 2.01 -0.01 -0.14 0.00 -0.44 0.00 0.00 62.40 63.82 1pjz h SER 15 CO -0.26 1.28 -0.31 -0.07 -0.53 0.00 0.00 176.83 176.94 1pjz h LEU 16 N -0.94 -1.11 -0.12 2.23 3.38 0.64 -3.45 115.31 115.95 1pjz h LEU 16 Ca -0.19 0.26 -0.38 0.00 0.09 0.00 0.00 57.88 57.67 1pjz h LEU 16 Cb 1.21 0.61 0.10 0.00 0.09 0.00 0.00 40.66 42.67 1pjz h LEU 16 CO -0.09 -0.29 -0.61 -3.20 0.09 0.00 0.00 178.44 174.34 1pjz n ASN 17 N -5.49 -6.00 -4.53 -0.43 5.15 0.36 -4.91 115.26 99.41 1pjz n ASN 17 Ca 0.09 -0.40 -0.38 0.00 -0.60 0.00 0.00 54.58 53.29 1pjz n ASN 17 Cb 0.39 -4.71 0.05 0.00 -0.53 0.00 0.00 39.78 34.98 1pjz n ASN 17 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1pjz n VAL 18 N -4.68 2.84 -1.01 3.44 3.14 -1.26 -4.76 118.33 116.04 1pjz n VAL 18 Ca -0.04 -0.49 -0.34 0.00 -2.96 0.00 0.00 64.34 60.52 1pjz n VAL 18 Cb 0.58 -0.88 -0.01 0.00 -1.06 0.00 0.00 33.84 32.46 1pjz n VAL 18 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1pjz n VAL 19 N -1.84 1.12 -2.31 1.55 3.14 -1.26 -4.71 118.33 114.01 1pjz n VAL 19 Ca 0.12 -0.37 -0.40 0.00 -2.96 0.00 0.00 64.34 60.73 1pjz n VAL 19 Cb 0.48 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.23 1pjz n VAL 19 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1pjz s PRO 20 N -0.74 3.05 0.00 1.45 0.04 -1.26 -2.07 135.00 135.47 1pjz s PRO 20 Ca 0.46 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1pjz s PRO 20 Cb -0.61 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 29.70 1pjz s PRO 20 CO 0.43 -2.25 0.00 0.41 0.04 0.00 0.00 177.00 175.63 1pjz n GLY 21 N 5.44 1.05 3.20 0.56 0.00 -1.22 -5.02 105.19 109.20 1pjz n GLY 21 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.26 -3.81 -2.65 4.61 0.00 -0.88 -2.92 120.51 114.59 1pjz n ALA 22 Ca 0.00 -0.44 -0.43 0.00 0.00 0.00 0.00 53.44 52.57 1pjz n ALA 22 Cb 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 1pjz n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pjz s ARG 23 N -2.10 4.20 -0.68 0.00 1.81 -0.73 -1.33 118.95 120.12 1pjz s ARG 23 Ca 0.51 1.22 -0.13 0.00 -1.72 0.00 0.00 55.73 55.61 1pjz s ARG 23 Cb -0.29 -3.66 0.17 0.00 -0.45 0.00 0.00 34.95 30.72 1pjz s ARG 23 CO 0.72 -0.67 0.60 0.08 -0.68 0.00 0.00 175.30 175.35 1pjz s VAL 24 N 3.24 5.14 0.24 3.52 1.01 0.76 -1.64 120.40 132.67 1pjz s VAL 24 Ca 0.43 -2.14 -0.30 0.00 0.00 0.00 0.00 61.98 59.97 1pjz s VAL 24 Cb -0.14 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 31.90 1pjz s VAL 24 CO 0.08 -0.94 0.96 -0.22 0.00 0.00 0.00 175.10 174.99 1pjz s LEU 25 N 0.73 4.63 -0.28 3.92 1.98 0.12 -0.29 118.68 129.49 1pjz s LEU 25 Ca 0.12 1.98 -0.01 0.00 -2.89 0.00 0.00 54.13 53.33 1pjz s LEU 25 Cb -0.19 -3.61 0.14 0.00 0.66 0.00 0.00 46.19 43.18 1pjz s LEU 25 CO -0.04 0.11 0.31 0.68 -1.89 0.00 0.00 176.35 175.53 1pjz s VAL 26 N -1.09 -0.45 0.23 1.68 -7.23 0.11 -0.15 120.40 113.50 1pjz s VAL 26 Ca 0.42 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.90 1pjz s VAL 26 Cb -0.27 -0.95 -0.09 0.00 0.56 0.00 0.00 36.38 35.64 1pjz s VAL 26 CO 0.33 -0.39 1.10 -2.16 -0.31 0.00 0.00 175.10 173.67 1pjz s PRO 27 N 2.40 4.62 -0.30 4.82 0.04 -1.25 -1.19 135.00 144.14 1pjz s PRO 27 Ca 0.09 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.85 1pjz s PRO 27 Cb -0.14 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1pjz s PRO 27 CO -0.29 0.15 0.07 1.47 0.04 0.00 0.00 177.00 178.44 1pjz n LEU 28 N 1.79 -0.11 0.10 -3.56 -0.00 0.14 -4.57 117.00 110.79 1pjz n LEU 28 Ca 0.01 -0.28 -0.16 0.00 -0.00 0.00 0.00 56.01 55.57 1pjz n LEU 28 Cb 0.45 -0.34 -0.14 0.00 -0.00 0.00 0.00 43.42 43.39 1pjz n LEU 28 CO 0.54 0.14 -0.09 0.00 -0.00 0.00 0.00 177.39 177.98 1pjz n GLY 30 N 1.56 -0.15 2.46 0.00 0.00 -1.25 -4.37 105.19 103.44 1pjz n GLY 30 Ca -0.10 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.47 -0.51 -4.48 1.61 4.81 -1.26 -4.97 118.16 110.89 1pjz n LYS 31 Ca -0.06 0.73 -0.27 0.00 -0.87 0.00 0.00 58.31 57.84 1pjz n LYS 31 Cb 0.57 -0.69 -0.10 0.00 0.02 0.00 0.00 35.03 34.83 1pjz n LYS 31 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1pjz s SER 32 N -0.45 4.01 0.52 3.14 0.01 -1.26 -5.01 113.70 114.66 1pjz s SER 32 Ca 0.00 -1.26 0.23 0.00 1.31 0.00 0.00 55.95 56.24 1pjz s SER 32 Cb 0.00 -0.42 1.36 0.00 0.21 0.00 0.00 66.02 67.17 1pjz s SER 32 CO 0.00 -0.43 2.02 1.56 0.41 0.00 0.00 173.24 176.80 1pjz h GLN 33 N 1.72 0.02 0.29 12.44 4.20 -1.87 -1.28 115.11 130.64 1pjz h GLN 33 Ca -0.43 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1pjz h GLN 33 Cb 1.24 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 1pjz h GLN 33 CO 0.76 0.01 -0.31 0.38 -0.67 0.00 0.00 178.83 179.01 1pjz h ASP 34 N 0.02 -0.84 -0.11 1.46 2.03 -1.90 0.46 116.42 117.54 1pjz h ASP 34 Ca 0.21 0.08 -0.00 0.00 -0.73 0.00 0.00 57.03 56.59 1pjz h ASP 34 Cb 0.83 0.29 -0.01 0.00 -0.83 0.00 0.00 39.33 39.62 1pjz h ASP 34 CO -0.01 -0.44 0.05 0.24 -1.03 0.00 0.00 179.24 178.06 1pjz h MET 35 N -0.64 0.16 -0.95 4.15 2.86 -1.68 -0.60 114.93 118.23 1pjz h MET 35 Ca -0.01 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.74 1pjz h MET 35 Cb 0.59 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.14 1pjz h MET 35 CO -0.07 0.22 0.60 0.77 1.06 0.00 0.00 176.91 179.49 1pjz h SER 36 N 0.06 0.78 -0.37 1.22 0.02 -1.07 0.28 113.55 114.48 1pjz h SER 36 Ca 0.04 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1pjz h SER 36 Cb 0.11 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1pjz h SER 36 CO -0.00 0.40 -0.05 -0.25 -1.14 0.00 0.00 176.83 175.78 1pjz h TRP 37 N 0.83 0.76 -0.49 3.45 7.01 0.36 -0.47 115.95 127.41 1pjz h TRP 37 Ca 0.48 -0.15 0.04 0.00 2.11 0.00 0.00 58.89 61.36 1pjz h TRP 37 Cb 0.63 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.46 1pjz h TRP 37 CO -0.00 0.82 0.26 -0.07 -2.79 0.00 0.00 178.44 176.65 1pjz h LEU 38 N 0.49 0.38 -0.95 0.65 -0.00 0.82 0.18 115.31 116.88 1pjz h LEU 38 Ca 0.10 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.97 1pjz h LEU 38 Cb 0.55 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.12 1pjz h LEU 38 CO 0.03 0.27 0.42 -1.28 -0.00 0.00 0.00 178.44 177.87 1pjz h SER 39 N 0.51 1.05 0.36 -0.43 0.87 -0.36 0.35 113.55 115.90 1pjz h SER 39 Ca 0.21 -0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.58 1pjz h SER 39 Cb 0.10 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1pjz h SER 39 CO -0.14 0.87 -0.36 1.23 -0.53 0.00 0.00 176.83 177.90 1pjz h GLY 40 N 1.18 0.01 1.35 5.77 0.00 0.07 -2.90 103.07 108.55 1pjz h GLY 40 Ca 0.29 -0.01 -0.32 0.00 0.00 0.00 0.00 47.33 47.29 1pjz h GLY 40 CO -0.04 0.01 -1.44 1.46 0.00 0.00 0.00 176.54 176.53 1pjz h GLN 41 N 0.01 0.41 0.00 4.80 1.08 0.26 -3.49 115.11 118.17 1pjz h GLN 41 Ca -0.00 -0.70 0.00 0.00 -1.45 0.00 0.00 58.65 56.50 1pjz h GLN 41 Cb 0.65 0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1pjz h GLN 41 CO 0.05 1.32 0.00 0.41 -0.95 0.00 0.00 178.83 179.66 1pjz n GLY 42 N 1.66 0.74 3.37 3.46 0.00 0.11 -5.03 105.19 109.51 1pjz n GLY 42 Ca -0.15 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 1pjz n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pjz s TYR 43 N -1.31 1.70 -1.29 1.61 1.51 -0.90 -3.39 117.35 115.27 1pjz s TYR 43 Ca 0.00 -1.14 -0.16 0.00 -1.01 0.00 0.00 57.07 54.77 1pjz s TYR 43 Cb 0.00 -1.03 0.11 0.00 -0.11 0.00 0.00 41.96 40.92 1pjz s TYR 43 CO 0.00 -0.24 1.70 1.58 -1.11 0.00 0.00 175.55 177.47 1pjz n HIS 44 N -0.58 4.56 -2.02 2.71 -0.00 -0.44 -4.69 115.22 114.77 1pjz n HIS 44 Ca -0.01 -3.02 -0.43 0.00 0.46 0.00 0.00 57.72 54.73 1pjz n HIS 44 Cb 0.66 -2.45 -0.03 0.00 -0.12 0.00 0.00 29.99 28.06 1pjz n HIS 44 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1pjz s VAL 45 N 3.06 3.54 -0.02 3.57 1.01 -1.26 -0.17 120.40 130.13 1pjz s VAL 45 Ca 0.49 0.59 0.01 0.00 0.00 0.00 0.00 61.98 63.07 1pjz s VAL 45 Cb 0.03 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1pjz s VAL 45 CO 0.04 -0.30 -0.01 0.54 0.00 0.00 0.00 175.10 175.36 1pjz s VAL 46 N 5.90 0.23 0.02 2.92 0.11 0.61 -1.01 120.40 129.18 1pjz s VAL 46 Ca 0.77 -0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.74 1pjz s VAL 46 Cb -0.26 -0.27 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 1pjz s VAL 46 CO 0.32 0.12 0.33 0.61 -3.33 0.00 0.00 175.10 173.15 1pjz n GLY 47 N 3.72 0.77 3.27 6.54 0.00 0.13 0.09 105.19 119.71 1pjz n GLY 47 Ca -0.22 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.28 0.56 -0.10 4.61 0.00 -0.34 -1.16 121.76 124.05 1pjz s ALA 48 Ca 0.08 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.76 1pjz s ALA 48 Cb -0.00 1.04 0.01 0.00 0.00 0.00 0.00 23.12 24.17 1pjz s ALA 48 CO 0.01 -0.61 -0.14 -1.21 0.00 0.00 0.00 175.76 173.80 1pjz s GLU 49 N -4.05 2.08 -1.33 0.00 0.41 -0.41 0.25 118.70 115.65 1pjz s GLU 49 Ca 0.26 -0.51 -0.08 0.00 -0.41 0.00 0.00 54.97 54.22 1pjz s GLU 49 Cb 0.05 -1.78 0.13 0.00 -1.78 0.00 0.00 34.13 30.74 1pjz s GLU 49 CO 0.05 -0.06 2.14 1.28 -0.49 0.00 0.00 175.26 178.18 1pjz n LEU 50 N 4.19 7.27 -3.71 1.80 7.99 -1.18 0.47 117.00 133.83 1pjz n LEU 50 Ca -0.19 -4.67 -0.12 0.00 -0.01 0.00 0.00 56.01 51.02 1pjz n LEU 50 Cb 0.51 -1.46 -0.10 0.00 -0.11 0.00 0.00 43.42 42.26 1pjz n LEU 50 CO 0.24 1.63 0.09 -0.44 -1.51 0.00 0.00 177.39 177.40 1pjz s SER 51 N 0.94 -0.50 -0.10 -1.43 0.01 0.11 -4.97 113.70 107.75 1pjz s SER 51 Ca 0.47 0.90 -0.06 0.00 1.31 0.00 0.00 55.95 58.57 1pjz s SER 51 Cb 0.13 0.84 -0.02 0.00 0.21 0.00 0.00 66.02 67.19 1pjz s SER 51 CO -0.04 -0.18 -0.11 -0.08 0.41 0.00 0.00 173.24 173.24 1pjz h GLU 52 N 6.39 0.00 -0.58 12.44 4.81 -1.89 -2.90 114.58 132.84 1pjz h GLU 52 Ca -0.32 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.08 1pjz h GLU 52 Cb 1.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1pjz h GLU 52 CO 0.26 0.00 0.53 0.00 -0.73 0.00 0.00 179.01 179.07 1pjz h ALA 53 N -1.30 2.39 -0.08 2.92 0.00 -1.98 0.32 119.26 121.53 1pjz h ALA 53 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1pjz h ALA 53 Cb 0.32 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1pjz h ALA 53 CO 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 179.25 178.42 1pjz h ALA 54 N 1.49 0.11 -0.91 0.00 0.00 -1.99 0.14 119.26 118.10 1pjz h ALA 54 Ca 0.28 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1pjz h ALA 54 Cb 1.34 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1pjz h ALA 54 CO -0.00 -0.22 0.59 -0.39 0.00 0.00 0.00 179.25 179.23 1pjz h VAL 55 N -0.12 1.24 -0.47 0.00 -1.51 -0.45 -0.46 116.25 114.48 1pjz h VAL 55 Ca 0.02 -0.45 -0.03 0.00 -1.23 0.00 0.00 66.70 65.02 1pjz h VAL 55 Cb 0.33 -0.09 -0.02 0.00 -2.13 0.00 0.00 31.29 29.37 1pjz h VAL 55 CO 0.00 0.23 0.17 -0.33 -1.23 0.00 0.00 177.57 176.41 1pjz h GLU 56 N 1.24 0.72 -0.55 5.19 5.08 -1.04 -0.65 114.58 124.56 1pjz h GLU 56 Ca 0.33 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1pjz h GLU 56 Cb -0.13 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 1pjz h GLU 56 CO -0.07 0.67 0.30 0.07 -1.00 0.00 0.00 179.01 178.98 1pjz h ARG 57 N 0.62 0.75 -0.36 2.33 -0.00 -0.05 0.73 114.38 118.40 1pjz h ARG 57 Ca 0.15 -0.07 -0.17 0.00 -0.00 0.00 0.00 59.98 59.89 1pjz h ARG 57 Cb 0.23 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.97 30.04 1pjz h ARG 57 CO -0.01 0.56 -0.42 1.88 -0.00 0.00 0.00 179.97 181.98 1pjz h TYR 58 N 0.76 1.11 0.00 4.08 0.05 -0.62 0.95 116.97 123.31 1pjz h TYR 58 Ca 0.20 -0.35 -0.08 0.00 0.05 0.00 0.00 58.73 58.55 1pjz h TYR 58 Cb 0.02 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 1pjz h TYR 58 CO 0.00 1.18 -0.37 0.74 -1.05 0.00 0.00 178.16 178.66 1pjz h PHE 59 N 0.74 0.00 0.13 4.88 0.04 -0.48 0.15 116.94 122.41 1pjz h PHE 59 Ca 0.05 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.52 1pjz h PHE 59 Cb 1.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.17 1pjz h PHE 59 CO 0.06 0.37 -1.49 0.00 -0.60 0.00 0.00 178.31 176.65 1pjz h THR 60 N 0.00 1.21 -0.04 -1.55 1.03 -0.69 0.45 112.91 113.32 1pjz h THR 60 Ca -0.00 -2.82 -0.20 0.00 -0.01 0.00 0.00 66.41 63.37 1pjz h THR 60 Cb 0.85 2.81 0.01 0.00 -1.07 0.00 0.00 68.15 70.76 1pjz h THR 60 CO 0.05 0.83 -0.75 -0.33 -0.01 0.00 0.00 175.52 175.31 1pjz h GLU 61 N 0.08 0.58 0.12 0.00 4.39 -0.69 -3.31 114.58 115.74 1pjz h GLU 61 Ca -0.23 -0.57 -0.31 0.00 0.34 0.00 0.00 59.36 58.59 1pjz h GLU 61 Cb 2.02 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.82 1pjz h GLU 61 CO 0.18 1.19 -1.54 0.00 -1.16 0.00 0.00 179.01 177.68 1pjz h ARG 62 N 0.19 0.25 -0.86 2.33 3.08 -0.83 -3.49 114.38 115.05 1pjz h ARG 62 Ca -0.08 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 1pjz h ARG 62 Cb 1.42 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.63 1pjz h ARG 62 CO 0.15 1.12 -0.00 0.41 -1.07 0.00 0.00 179.97 180.58 1pjz n GLY 63 N 1.67 0.88 0.42 0.04 0.00 0.15 -4.86 105.19 103.49 1pjz n GLY 63 Ca -0.17 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.57 -1.06 0.00 1.61 1.02 -0.94 -5.02 120.64 115.69 1pjz n GLU 64 Ca -0.00 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 1pjz n GLU 64 Cb 0.50 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 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 -2.08 0.00 -0.16 3.49 1.13 -1.26 -5.10 117.38 113.40 1pjz n GLN 65 Ca -0.01 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.02 1pjz n GLN 65 Cb 0.15 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.52 1pjz n GLN 65 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1pjz n PRO 66 N 0.00 -0.68 -3.25 -1.09 -0.04 -1.26 -4.99 135.00 123.68 1pjz n PRO 66 Ca 0.00 -0.20 -0.43 0.00 -0.04 0.00 0.00 63.50 62.83 1pjz n PRO 66 Cb 0.00 -0.16 -0.08 0.00 -0.04 0.00 0.00 33.50 33.22 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 -1.26 3.14 -0.11 0.54 2.46 0.67 -4.93 115.29 115.79 1pjz s HIS 67 Ca 0.08 -0.28 -0.16 0.00 0.47 0.00 0.00 55.06 55.17 1pjz s HIS 67 Cb -0.00 -3.03 -0.05 0.00 -0.13 0.00 0.00 32.58 29.36 1pjz s HIS 67 CO 0.06 -0.75 0.39 0.42 -2.47 0.00 0.00 174.74 172.38 1pjz s ILE 68 N 2.35 5.20 0.12 0.89 -1.09 -1.26 -1.24 121.20 126.18 1pjz s ILE 68 Ca 0.15 0.76 0.04 0.00 -2.23 0.00 0.00 60.65 59.38 1pjz s ILE 68 Cb -0.16 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 1pjz s ILE 68 CO 0.15 0.41 -0.11 -0.89 -1.23 0.00 0.00 174.94 173.27 1pjz s THR 69 N 0.17 1.11 -0.12 2.92 2.01 0.12 -4.94 115.64 116.91 1pjz s THR 69 Ca 0.22 -1.78 -0.05 0.00 0.31 0.00 0.00 61.69 60.39 1pjz s THR 69 Cb -0.15 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1pjz s THR 69 CO 0.08 -0.58 0.06 -0.94 -0.69 0.00 0.00 174.62 172.56 1pjz s SER 70 N -2.66 5.72 -0.39 3.53 1.04 -1.26 0.17 113.70 119.85 1pjz s SER 70 Ca 0.10 0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.81 1pjz s SER 70 Cb -0.02 -1.78 0.16 0.00 0.10 0.00 0.00 66.02 64.48 1pjz s SER 70 CO 0.01 0.35 0.39 -1.10 0.98 0.00 0.00 173.24 173.87 1pjz s GLN 71 N -0.70 0.72 6.62 4.02 -1.52 0.67 -4.89 119.66 124.59 1pjz s GLN 71 Ca 0.12 -1.15 0.00 0.00 -1.95 0.00 0.00 55.36 52.38 1pjz s GLN 71 Cb -0.12 -0.84 0.00 0.00 -0.22 0.00 0.00 33.01 31.84 1pjz s GLN 71 CO 0.02 -1.25 0.00 0.41 -0.25 0.00 0.00 175.29 174.23 1pjz n GLY 72 N 3.85 3.62 1.71 3.09 0.00 -1.26 0.31 105.19 116.51 1pjz n GLY 72 Ca 0.15 0.23 -0.02 0.00 0.00 0.00 0.00 46.02 46.38 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 8.57 4.36 -3.92 1.61 -0.08 -1.26 -4.90 116.55 120.93 1pjz n ASP 73 Ca 0.00 -2.89 -0.15 0.00 -1.51 0.00 0.00 54.79 50.24 1pjz n ASP 73 Cb 0.00 -0.68 -0.09 0.00 2.34 0.00 0.00 41.12 42.68 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 -2.44 1.37 0.43 -0.67 0.08 0.15 -4.96 117.98 111.94 1pjz s PHE 74 Ca 0.43 -1.47 0.03 0.00 0.12 0.00 0.00 56.93 56.04 1pjz s PHE 74 Cb 0.34 -0.62 -0.03 0.00 -0.57 0.00 0.00 43.02 42.13 1pjz s PHE 74 CO 0.11 -0.71 0.06 0.21 -0.10 0.00 0.00 175.22 174.79 1pjz s LYS 75 N -3.92 1.99 -0.30 0.44 2.20 -1.26 -0.24 119.74 118.65 1pjz s LYS 75 Ca 0.39 -2.21 -0.02 0.00 -0.36 0.00 0.00 55.97 53.78 1pjz s LYS 75 Cb 0.05 -1.11 0.12 0.00 -1.51 0.00 0.00 37.83 35.39 1pjz s LYS 75 CO 0.17 -0.34 0.21 0.08 -0.36 0.00 0.00 175.35 175.12 1pjz s VAL 76 N -3.04 -0.16 -0.47 4.02 1.01 0.13 -1.10 120.40 120.77 1pjz s VAL 76 Ca 0.21 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1pjz s VAL 76 Cb 0.04 -0.98 0.11 0.00 0.00 0.00 0.00 36.38 35.56 1pjz s VAL 76 CO 0.11 -0.67 0.36 -0.47 0.00 0.00 0.00 175.10 174.43 1pjz s TYR 77 N 1.99 3.37 -0.07 5.22 5.04 0.20 0.12 117.35 133.21 1pjz s TYR 77 Ca 0.11 -1.67 -0.03 0.00 -2.44 0.00 0.00 57.07 53.04 1pjz s TYR 77 Cb -0.16 -3.44 -0.04 0.00 0.35 0.00 0.00 41.96 38.67 1pjz s TYR 77 CO -0.28 -0.96 0.06 0.00 -1.34 0.00 0.00 175.55 173.03 1pjz s ALA 78 N 1.43 3.54 0.29 3.97 0.00 -0.37 -1.01 121.76 129.62 1pjz s ALA 78 Ca 0.05 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.31 1pjz s ALA 78 Cb -0.26 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1pjz s ALA 78 CO 0.01 0.63 0.14 0.00 0.00 0.00 0.00 175.76 176.53 1pjz s ALA 79 N -1.01 3.48 0.11 0.00 0.00 -1.17 -0.24 121.76 122.92 1pjz s ALA 79 Ca 0.16 -1.62 -0.10 0.00 0.00 0.00 0.00 51.96 50.40 1pjz s ALA 79 Cb -0.12 -0.99 -0.15 0.00 0.00 0.00 0.00 23.12 21.87 1pjz s ALA 79 CO 0.06 0.16 1.27 -1.00 0.00 0.00 0.00 175.76 176.26 1pjz h PRO 80 N 1.58 0.63 0.37 0.00 0.13 -1.96 -3.32 132.00 129.42 1pjz h PRO 80 Ca -0.45 -0.61 -0.02 0.00 -0.87 0.00 0.00 66.00 64.04 1pjz h PRO 80 Cb 1.25 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1pjz h PRO 80 CO 0.61 1.22 -0.18 0.78 -0.23 0.00 0.00 178.00 180.20 1pjz h GLY 81 N 0.73 -0.52 -2.56 1.56 0.00 -2.00 -3.45 103.07 96.83 1pjz h GLY 81 Ca -0.09 0.19 -0.61 0.00 0.00 0.00 0.00 47.33 46.82 1pjz h GLY 81 CO 0.18 -0.19 -0.75 -1.50 0.00 0.00 0.00 176.54 174.28 1pjz s ILE 82 N -5.39 2.66 -0.73 2.60 -1.16 -1.25 -4.96 121.20 112.98 1pjz s ILE 82 Ca -0.15 -2.20 -0.02 0.00 -0.51 0.00 0.00 60.65 57.77 1pjz s ILE 82 Cb 0.03 -2.37 0.29 0.00 0.61 0.00 0.00 42.46 41.02 1pjz s ILE 82 CO 0.59 -0.32 2.20 1.21 -2.81 0.00 0.00 174.94 175.82 1pjz n GLU 83 N -0.43 2.64 -3.76 3.50 2.13 -0.18 -3.05 120.64 121.49 1pjz n GLU 83 Ca -0.07 -3.18 -0.36 0.00 0.66 0.00 0.00 57.16 54.21 1pjz n GLU 83 Cb 0.59 -2.23 -0.12 0.00 0.27 0.00 0.00 31.44 29.95 1pjz n GLU 83 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1pjz s ILE 84 N -4.33 4.64 -0.36 6.31 -1.09 -1.25 -0.69 121.20 124.43 1pjz s ILE 84 Ca 0.54 -0.06 -0.06 0.00 -2.23 0.00 0.00 60.65 58.83 1pjz s ILE 84 Cb 0.43 -3.17 0.05 0.00 -1.58 0.00 0.00 42.46 38.20 1pjz s ILE 84 CO -0.33 0.34 0.14 -1.66 -1.23 0.00 0.00 174.94 172.20 1pjz s TRP 85 N 1.43 3.30 0.37 3.97 1.48 -0.31 -3.52 118.94 125.67 1pjz s TRP 85 Ca 0.06 -1.56 -0.26 0.00 -1.06 0.00 0.00 56.10 53.28 1pjz s TRP 85 Cb -0.15 -2.50 -0.09 0.00 -1.16 0.00 0.00 33.47 29.57 1pjz s TRP 85 CO 0.05 -0.78 1.09 0.00 -4.06 0.00 0.00 176.95 173.25 1pjz n GLY 87 N 0.62 1.32 3.42 0.00 0.00 0.18 -0.63 105.19 110.09 1pjz n GLY 87 Ca 0.03 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 1pjz n GLY 87 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pjz s ASP 88 N -4.00 2.80 0.47 1.61 -4.77 -0.26 0.04 116.67 112.56 1pjz s ASP 88 Ca 0.00 -1.14 0.03 0.00 -3.30 0.00 0.00 52.55 48.13 1pjz s ASP 88 Cb 0.00 -0.17 -0.03 0.00 -1.09 0.00 0.00 42.92 41.63 1pjz s ASP 88 CO 0.00 -0.28 0.02 0.12 0.70 0.00 0.00 175.17 175.74 1pjz s PHE 89 N -2.96 1.97 -0.02 2.11 2.19 -1.26 -4.55 117.98 115.45 1pjz s PHE 89 Ca 0.28 -0.95 -0.00 0.00 0.33 0.00 0.00 56.93 56.58 1pjz s PHE 89 Cb 0.02 -1.56 -0.00 0.00 -1.31 0.00 0.00 43.02 40.17 1pjz s PHE 89 CO 0.11 0.19 0.02 0.34 1.83 0.00 0.00 175.22 177.70 1pjz n PHE 90 N -1.14 -0.05 -1.99 10.12 -0.00 -1.26 -4.98 117.46 118.16 1pjz n PHE 90 Ca -0.14 0.02 -0.02 0.00 -0.00 0.00 0.00 57.45 57.31 1pjz n PHE 90 Cb 0.67 -2.27 0.00 0.00 -0.00 0.00 0.00 39.48 37.88 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1pjz n ALA 91 N -1.27 0.20 -1.64 3.13 0.00 -1.26 -4.95 120.51 114.72 1pjz n ALA 91 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1pjz n ALA 91 Cb 0.50 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.20 0.03 -3.11 0.00 -0.00 -1.26 -5.05 117.00 107.40 1pjz n LEU 92 Ca -0.09 -0.68 -0.29 0.00 -0.00 0.00 0.00 56.01 54.96 1pjz n LEU 92 Cb 0.49 -0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.93 1pjz n LEU 92 CO -0.05 0.17 -0.22 0.41 -0.00 0.00 0.00 177.39 177.70 1pjz n THR 93 N -0.01 -2.90 0.10 1.47 -1.04 -1.26 -4.44 114.28 106.19 1pjz n THR 93 Ca 0.00 0.04 0.03 0.00 -2.04 0.00 0.00 64.05 62.09 1pjz n THR 93 Cb 0.63 -2.63 0.17 0.00 -1.82 0.00 0.00 70.33 66.68 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 -0.63 1.10 0.10 2.41 0.00 -1.02 -1.00 120.51 121.47 1pjz n ALA 94 Ca -0.12 0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1pjz n ALA 94 Cb 0.54 -1.10 -0.15 0.00 0.00 0.00 0.00 19.45 18.74 1pjz n ALA 94 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1pjz h ARG 95 N 0.00 0.45 0.04 0.00 0.11 0.72 0.55 114.38 116.25 1pjz h ARG 95 Ca 0.00 -0.77 -0.28 0.00 0.10 0.00 0.00 59.98 59.04 1pjz h ARG 95 Cb 0.04 0.29 0.02 0.00 1.11 0.00 0.00 29.97 31.43 1pjz h ARG 95 CO 0.00 1.37 -1.10 0.22 0.10 0.00 0.00 179.97 180.56 1pjz h ASP 96 N 0.01 0.90 0.41 0.08 1.82 -1.31 0.14 116.42 118.47 1pjz h ASP 96 Ca -0.26 -0.77 -0.29 0.00 -0.39 0.00 0.00 57.03 55.33 1pjz h ASP 96 Cb 2.03 -0.28 0.02 0.00 0.68 0.00 0.00 39.33 41.78 1pjz h ASP 96 CO 0.22 1.56 -1.26 -0.29 -1.61 0.00 0.00 179.24 177.85 1pjz h ILE 97 N 0.34 1.40 0.07 2.25 -0.00 -1.20 -3.38 117.51 116.99 1pjz h ILE 97 Ca -0.15 -2.78 -0.00 0.00 -0.00 0.00 0.00 64.86 61.92 1pjz h ILE 97 Cb 1.76 2.85 0.00 0.00 -0.00 0.00 0.00 36.82 41.44 1pjz h ILE 97 CO 0.21 0.83 -0.04 1.23 -0.00 0.00 0.00 178.15 180.38 1pjz h GLY 98 N 0.97 -0.10 0.00 8.18 0.00 0.05 -3.45 103.07 108.71 1pjz h GLY 98 Ca -0.17 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1pjz h GLY 98 CO 0.22 -0.04 0.00 1.57 0.00 0.00 0.00 176.54 178.29 1pjz n HIS 99 N -2.63 0.00 -3.64 5.60 -0.00 0.48 -4.30 115.22 110.74 1pjz n HIS 99 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.55 1pjz n HIS 99 Cb 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 29.95 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 1.31 0.00 -3.60 0.00 0.00 0.38 -1.77 120.51 116.84 1pjz n ALA 101 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 1pjz n ALA 101 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 1pjz n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz s ALA 102 N -1.00 -1.63 -0.13 0.00 0.00 -0.65 0.04 121.76 118.39 1pjz s ALA 102 Ca 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 51.96 52.37 1pjz s ALA 102 Cb 0.00 0.67 0.06 0.00 0.00 0.00 0.00 23.12 23.85 1pjz s ALA 102 CO 0.00 -0.85 0.18 0.12 0.00 0.00 0.00 175.76 175.21 1pjz s PHE 103 N -3.45 -0.19 -0.12 0.00 5.36 -0.19 -0.70 117.98 118.68 1pjz s PHE 103 Ca 0.07 0.44 -0.15 0.00 -0.96 0.00 0.00 56.93 56.32 1pjz s PHE 103 Cb -0.02 -0.32 -0.05 0.00 -0.34 0.00 0.00 43.02 42.30 1pjz s PHE 103 CO -0.05 -0.39 0.37 -0.47 -1.46 0.00 0.00 175.22 173.22 1pjz s TYR 104 N 2.30 3.52 -0.11 10.12 6.14 0.79 0.01 117.35 140.12 1pjz s TYR 104 Ca 0.04 0.76 0.03 0.00 0.64 0.00 0.00 57.07 58.54 1pjz s TYR 104 Cb -0.13 -2.40 0.00 0.00 0.42 0.00 0.00 41.96 39.85 1pjz s TYR 104 CO -0.08 0.28 -0.23 0.34 0.64 0.00 0.00 175.55 176.50 1pjz s ASP 105 N 0.29 3.04 0.42 4.32 -1.08 0.60 -3.81 116.67 120.45 1pjz s ASP 105 Ca 0.21 -0.56 0.08 0.00 -0.52 0.00 0.00 52.55 51.76 1pjz s ASP 105 Cb -0.14 -1.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.93 1pjz s ASP 105 CO 0.07 0.13 0.53 0.00 0.52 0.00 0.00 175.17 176.42 1pjz s ARG 106 N 0.50 2.75 -0.90 4.34 1.04 -1.26 0.09 118.95 125.51 1pjz s ARG 106 Ca -0.15 -1.32 -0.32 0.00 -1.04 0.00 0.00 55.73 52.90 1pjz s ARG 106 Cb -0.17 -2.67 -0.21 0.00 -2.04 0.00 0.00 34.95 29.87 1pjz s ARG 106 CO 0.05 -0.26 2.60 0.00 -0.04 0.00 0.00 175.30 177.66 1pjz n ALA 107 N -1.78 0.32 0.02 7.88 0.00 -0.62 -4.34 120.51 121.99 1pjz n ALA 107 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1pjz n ALA 107 Cb 0.60 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 10.41 2.01 -0.04 0.00 0.00 -1.26 -4.88 120.51 126.74 1pjz n ALA 108 Ca 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 54.05 1pjz n ALA 108 Cb 0.05 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.74 1pjz n ALA 108 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1pjz h MET 109 N 0.00 0.62 0.00 0.00 2.86 -1.92 -0.80 114.93 115.69 1pjz h MET 109 Ca 0.00 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1pjz h MET 109 Cb 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1pjz h MET 109 CO 0.00 0.65 0.00 0.44 1.06 0.00 0.00 176.91 179.06 1pjz n ILE 110 N -4.25 1.23 -0.03 -1.22 -0.00 -1.26 -2.05 119.36 111.79 1pjz n ILE 110 Ca 0.02 0.46 -0.11 0.00 -0.00 0.00 0.00 62.75 63.13 1pjz n ILE 110 Cb 0.27 -1.40 -0.09 0.00 -0.00 0.00 0.00 39.64 38.42 1pjz n ILE 110 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1pjz h ALA 111 N 2.16 -0.05 -2.51 -1.28 0.00 -1.38 0.82 119.26 117.02 1pjz h ALA 111 Ca 0.00 -0.32 -0.48 0.00 0.00 0.00 0.00 54.91 54.11 1pjz h ALA 111 Cb 0.13 0.02 0.10 0.00 0.00 0.00 0.00 17.79 18.04 1pjz h ALA 111 CO 0.00 -0.10 0.39 -0.51 0.00 0.00 0.00 179.25 179.03 1pjz s LEU 112 N -8.55 2.63 0.00 0.00 1.02 -0.87 -4.84 118.68 108.07 1pjz s LEU 112 Ca -0.14 1.05 0.00 0.00 0.02 0.00 0.00 54.13 55.06 1pjz s LEU 112 Cb -0.01 -3.67 0.00 0.00 0.02 0.00 0.00 46.19 42.53 1pjz s LEU 112 CO 0.51 -1.76 0.00 -0.81 0.02 0.00 0.00 176.35 174.31 1pjz n PRO 113 N -3.26 2.30 0.01 1.29 -0.04 -1.26 -4.69 135.00 129.35 1pjz n PRO 113 Ca 0.07 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.52 1pjz n PRO 113 Cb 0.58 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.04 1pjz n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pjz h ALA 114 N -2.00 -0.17 -0.68 0.55 0.00 -1.97 -1.98 119.26 113.01 1pjz h ALA 114 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1pjz h ALA 114 Cb 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1pjz h ALA 114 CO 0.00 -0.17 -0.40 -0.25 0.00 0.00 0.00 179.25 178.44 1pjz n ASP 115 N -3.10 -0.72 -0.21 0.00 8.00 -1.26 0.28 116.55 119.54 1pjz n ASP 115 Ca -0.01 1.53 0.01 0.00 0.71 0.00 0.00 54.79 57.03 1pjz n ASP 115 Cb 0.03 -0.32 0.12 0.00 -0.02 0.00 0.00 41.12 40.93 1pjz n ASP 115 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1pjz h MET 116 N 0.00 0.27 -0.66 -1.24 4.05 -1.94 0.07 114.93 115.47 1pjz h MET 116 Ca 0.11 -0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.62 1pjz h MET 116 Cb 0.28 -0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 30.93 1pjz h MET 116 CO -0.63 0.18 0.24 0.00 0.23 0.00 0.00 176.91 176.92 1pjz h ARG 117 N 0.27 0.39 0.58 0.39 3.08 0.63 0.29 114.38 120.01 1pjz h ARG 117 Ca 0.33 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 1pjz h ARG 117 Cb 0.49 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.46 1pjz h ARG 117 CO -0.41 0.26 -0.28 0.93 -1.07 0.00 0.00 179.97 179.40 1pjz h GLU 118 N 0.40 -0.75 -0.13 0.04 5.08 0.15 0.18 114.58 119.55 1pjz h GLU 118 Ca 0.35 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.79 1pjz h GLU 118 Cb 0.48 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1pjz h GLU 118 CO -0.36 -0.46 0.25 0.07 -1.00 0.00 0.00 179.01 177.51 1pjz h ARG 119 N -0.88 0.00 0.00 2.33 -0.00 -0.56 0.26 114.38 115.53 1pjz h ARG 119 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.89 1pjz h ARG 119 Cb 0.63 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.60 1pjz h ARG 119 CO 0.13 0.00 -0.04 -0.92 -0.00 0.00 0.00 179.97 179.14 1pjz h TYR 120 N 0.00 0.00 -0.88 4.08 5.03 0.26 -1.19 116.97 124.27 1pjz h TYR 120 Ca 0.06 0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.39 1pjz h TYR 120 Cb 0.55 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 38.79 1pjz h TYR 120 CO 0.00 0.68 0.58 -0.39 -1.32 0.00 0.00 178.16 177.71 1pjz h VAL 121 N -1.00 1.20 0.11 1.81 -1.51 0.24 0.23 116.25 117.33 1pjz h VAL 121 Ca -0.01 -0.40 -0.01 0.00 -1.23 0.00 0.00 66.70 65.06 1pjz h VAL 121 Cb 0.68 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 29.77 1pjz h VAL 121 CO -0.01 0.21 -0.05 0.06 -1.23 0.00 0.00 177.57 176.55 1pjz h GLN 122 N 1.17 -0.15 -0.83 5.19 3.07 -0.65 -1.36 115.11 121.56 1pjz h GLN 122 Ca 0.33 0.01 0.11 0.00 0.09 0.00 0.00 58.65 59.19 1pjz h GLN 122 Cb -0.08 0.03 -0.08 0.00 0.08 0.00 0.00 27.48 27.43 1pjz h GLN 122 CO -0.08 0.27 0.46 0.45 0.09 0.00 0.00 178.83 180.02 1pjz h HIS 123 N -0.61 0.83 0.65 0.06 3.86 -0.87 0.32 115.15 119.38 1pjz h HIS 123 Ca -0.02 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1pjz h HIS 123 Cb 0.48 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 28.71 1pjz h HIS 123 CO 0.07 0.31 -0.31 1.25 0.86 0.00 0.00 177.93 180.10 1pjz h LEU 124 N 0.75 -0.74 -1.99 2.43 6.46 -0.51 -0.83 115.31 120.87 1pjz h LEU 124 Ca 0.41 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.20 1pjz h LEU 124 Cb 0.43 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1pjz h LEU 124 CO -0.27 -0.53 0.29 -0.33 -0.62 0.00 0.00 178.44 176.98 1pjz h GLU 125 N -0.87 0.00 0.05 1.25 5.08 -0.84 1.22 114.58 120.47 1pjz h GLU 125 Ca -0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1pjz h GLU 125 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1pjz h GLU 125 CO 0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 179.01 178.13 1pjz h ALA 126 N 1.40 -0.06 -0.21 3.43 0.00 0.53 -3.17 119.26 121.18 1pjz h ALA 126 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1pjz h ALA 126 Cb 0.58 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1pjz h ALA 126 CO 0.00 -0.21 0.00 1.47 0.00 0.00 0.00 179.25 180.51 1pjz n LEU 127 N -4.82 1.90 -4.68 0.00 -0.00 0.19 -4.91 117.00 104.68 1pjz n LEU 127 Ca -0.09 -0.81 -0.29 0.00 -0.00 0.00 0.00 56.01 54.82 1pjz n LEU 127 Cb 0.31 -0.14 0.20 0.00 -0.00 0.00 0.00 43.42 43.79 1pjz n LEU 127 CO 0.31 0.41 0.67 -0.04 -0.00 0.00 0.00 177.39 178.73 1pjz s MET 128 N -1.73 -0.12 0.00 1.47 -1.94 0.40 0.39 119.30 117.76 1pjz s MET 128 Ca 0.32 0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.45 1pjz s MET 128 Cb 0.18 -1.71 0.00 0.00 2.01 0.00 0.00 34.83 35.31 1pjz s MET 128 CO 0.26 -3.02 0.00 -0.35 -0.01 0.00 0.00 175.02 171.90 1pjz n PRO 129 N -4.31 0.01 -0.13 2.03 -0.04 -1.25 -3.64 135.00 127.67 1pjz n PRO 129 Ca 0.09 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.31 1pjz n PRO 129 Cb 0.59 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.94 1pjz n PRO 129 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1pjz n GLN 130 N -0.83 0.62 -3.64 0.54 -0.06 0.39 -4.87 117.38 109.53 1pjz n GLN 130 Ca 0.00 0.23 -0.29 0.00 -2.00 0.00 0.00 57.00 54.95 1pjz n GLN 130 Cb 0.00 -1.52 -0.16 0.00 -4.06 0.00 0.00 30.24 24.50 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1pjz s ALA 131 N -2.51 0.92 0.24 1.69 0.00 -0.66 -4.37 121.76 117.07 1pjz s ALA 131 Ca -0.36 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 50.36 1pjz s ALA 131 Cb 0.12 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.87 1pjz s ALA 131 CO 0.55 -1.51 0.53 0.00 0.00 0.00 0.00 175.76 175.32 1pjz s SER 133 N -2.97 4.94 0.42 0.00 0.15 0.11 0.71 113.70 117.06 1pjz s SER 133 Ca 0.18 -1.22 -0.14 0.00 0.70 0.00 0.00 55.95 55.46 1pjz s SER 133 Cb -0.02 -1.74 -0.08 0.00 -1.71 0.00 0.00 66.02 62.47 1pjz s SER 133 CO 0.06 -0.26 0.84 -0.83 1.20 0.00 0.00 173.24 174.25 1pjz s GLY 134 N 1.29 2.11 -0.30 9.45 0.00 0.22 -1.02 107.32 119.08 1pjz s GLY 134 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.70 1pjz s GLY 134 CO -0.00 0.26 0.27 -2.27 0.00 0.00 0.00 173.10 171.35 1pjz s LEU 135 N -3.65 -0.06 0.25 0.66 2.96 0.10 0.28 118.68 119.22 1pjz s LEU 135 Ca 0.55 -0.95 -0.15 0.00 -0.22 0.00 0.00 54.13 53.36 1pjz s LEU 135 Cb -0.10 0.34 -0.08 0.00 0.50 0.00 0.00 46.19 46.85 1pjz s LEU 135 CO 0.26 -0.39 0.67 -0.22 -1.32 0.00 0.00 176.35 175.35 1pjz s LEU 136 N 2.22 4.21 -0.21 -0.68 0.20 0.15 -0.29 118.68 124.28 1pjz s LEU 136 Ca 0.10 1.23 -0.02 0.00 0.69 0.00 0.00 54.13 56.13 1pjz s LEU 136 Cb -0.15 -3.73 0.06 0.00 -0.43 0.00 0.00 46.19 41.95 1pjz s LEU 136 CO -0.31 -0.06 0.02 -0.63 -0.29 0.00 0.00 176.35 175.08 1pjz s ILE 137 N -1.73 0.74 0.52 6.68 1.09 0.11 -0.21 121.20 128.41 1pjz s ILE 137 Ca 0.47 -0.75 0.03 0.00 -1.10 0.00 0.00 60.65 59.30 1pjz s ILE 137 Cb -0.13 -1.23 0.01 0.00 -1.06 0.00 0.00 42.46 40.05 1pjz s ILE 137 CO 0.19 -0.22 0.17 0.42 -0.10 0.00 0.00 174.94 175.40 1pjz s THR 138 N 1.75 1.38 0.29 2.92 -4.23 0.15 -1.59 115.64 116.32 1pjz s THR 138 Ca -0.01 -1.78 -0.09 0.00 -1.18 0.00 0.00 61.69 58.63 1pjz s THR 138 Cb -0.17 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.50 1pjz s THR 138 CO -0.09 0.00 0.49 -1.48 -0.54 0.00 0.00 174.62 173.00 1pjz s LEU 139 N -4.05 0.57 0.00 4.79 2.34 -1.26 0.73 118.68 121.80 1pjz s LEU 139 Ca 0.18 -1.17 0.00 0.00 0.06 0.00 0.00 54.13 53.20 1pjz s LEU 139 Cb 0.00 1.69 0.00 0.00 -0.56 0.00 0.00 46.19 47.32 1pjz s LEU 139 CO 0.11 -1.23 0.00 1.21 -1.06 0.00 0.00 176.35 175.38 1pjz n GLU 140 N -0.45 0.00 -0.01 1.48 0.00 -0.58 -3.23 120.64 117.85 1pjz n GLU 140 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.15 1pjz n GLU 140 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 32.06 1pjz n GLU 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1pjz n TYR 141 N -0.95 -0.01 -0.83 4.31 4.02 -1.25 -4.38 117.16 118.06 1pjz n TYR 141 Ca 0.00 0.02 -0.27 0.00 -0.01 0.00 0.00 57.90 57.64 1pjz n TYR 141 Cb 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 1pjz n TYR 141 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1pjz n ASP 142 N -2.35 -1.99 0.00 7.72 5.75 -1.26 -4.73 116.55 119.70 1pjz n ASP 142 Ca 0.00 0.50 0.00 0.00 -0.01 0.00 0.00 54.79 55.28 1pjz n ASP 142 Cb 0.00 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 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 0.89 0.00 -3.07 0.11 10.64 -1.26 -4.46 117.38 120.23 1pjz n GLN 143 Ca 0.07 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 55.01 1pjz n GLN 143 Cb 0.27 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.61 1pjz n GLN 143 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pjz n ALA 144 N 0.00 3.46 0.00 2.61 0.00 -1.26 -4.63 120.51 120.69 1pjz n ALA 144 Ca 0.00 -4.12 0.00 0.00 0.00 0.00 0.00 53.44 49.32 1pjz n ALA 144 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 0.07 0.00 -4.67 0.00 -0.00 -1.26 -5.12 117.00 106.02 1pjz n LEU 145 Ca 0.28 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.93 1pjz n LEU 145 Cb 0.51 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.84 1pjz n LEU 145 CO 0.28 0.00 -0.16 -0.22 -0.00 0.00 0.00 177.39 177.30 1pjz s LEU 146 N 0.00 4.14 -0.81 1.47 2.96 -1.26 -4.59 118.68 120.59 1pjz s LEU 146 Ca 0.00 0.16 -0.31 0.00 -0.22 0.00 0.00 54.13 53.76 1pjz s LEU 146 Cb 0.00 -2.13 -0.18 0.00 0.50 0.00 0.00 46.19 44.38 1pjz s LEU 146 CO 0.00 0.08 2.56 -0.62 -1.32 0.00 0.00 176.35 177.05 1pjz n GLU 147 N 4.15 0.31 0.00 1.98 1.02 -1.26 -4.28 120.64 122.56 1pjz n GLU 147 Ca -0.15 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1pjz n GLU 147 Cb 0.52 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 6.45 -0.86 3.60 0.62 0.00 -1.26 -4.90 105.19 108.85 1pjz n GLY 148 Ca 0.57 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 1pjz n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pjz s PRO 149 N -5.48 3.60 0.18 1.61 0.04 -1.26 -4.79 135.00 128.90 1pjz s PRO 149 Ca 0.00 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 61.70 1pjz s PRO 149 Cb 0.00 -4.01 -0.08 0.00 0.04 0.00 0.00 34.50 30.45 1pjz s PRO 149 CO 0.00 -1.53 1.12 -1.25 0.04 0.00 0.00 177.00 175.37 1pjz s PRO 150 N 4.88 4.58 -0.79 0.56 0.04 -1.26 -4.54 135.00 138.47 1pjz s PRO 150 Ca 0.61 1.75 -0.08 0.00 0.04 0.00 0.00 61.00 63.31 1pjz s PRO 150 Cb -0.14 -3.27 0.20 0.00 0.04 0.00 0.00 34.50 31.34 1pjz s PRO 150 CO 0.32 0.06 0.68 0.12 0.04 0.00 0.00 177.00 178.22 1pjz s PHE 151 N -0.26 3.69 -0.26 0.56 5.36 0.28 -4.83 117.98 122.52 1pjz s PHE 151 Ca 0.50 -2.42 -0.24 0.00 -0.96 0.00 0.00 56.93 53.81 1pjz s PHE 151 Cb -0.30 -3.54 -0.10 0.00 -0.34 0.00 0.00 43.02 38.74 1pjz s PHE 151 CO 0.36 -0.91 0.88 -1.13 -1.46 0.00 0.00 175.22 172.96 1pjz n SER 152 N 3.51 0.57 -4.47 6.13 3.41 -1.20 -4.63 113.62 116.93 1pjz n SER 152 Ca 0.13 0.55 -0.38 0.00 -0.26 0.00 0.00 58.87 58.92 1pjz n SER 152 Cb 0.42 -0.45 -0.12 0.00 -0.26 0.00 0.00 64.21 63.80 1pjz n SER 152 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pjz s VAL 153 N 1.87 4.64 -0.11 -3.33 1.01 -1.26 -5.06 120.40 118.15 1pjz s VAL 153 Ca 0.55 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 1pjz s VAL 153 Cb -0.77 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1pjz s VAL 153 CO 0.40 0.19 1.25 -2.16 0.00 0.00 0.00 175.10 174.78 1pjz s PRO 154 N 1.64 4.28 0.59 2.72 0.04 -1.26 -4.86 135.00 138.15 1pjz s PRO 154 Ca 0.06 1.68 0.35 0.00 0.04 0.00 0.00 61.00 63.13 1pjz s PRO 154 Cb -0.16 -3.67 1.23 0.00 0.04 0.00 0.00 34.50 31.94 1pjz s PRO 154 CO 0.06 -0.59 1.43 1.96 0.04 0.00 0.00 177.00 179.90 1pjz h GLN 155 N 7.89 0.00 -0.42 4.56 7.50 -1.97 1.67 115.11 134.34 1pjz h GLN 155 Ca -0.30 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 58.83 1pjz h GLN 155 Cb 1.13 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.64 1pjz h GLN 155 CO 0.93 0.00 0.21 0.00 -1.50 0.00 0.00 178.83 178.47 1pjz h THR 156 N 0.00 1.17 0.16 -0.54 1.03 -1.97 0.28 112.91 113.04 1pjz h THR 156 Ca 0.63 -0.48 -0.01 0.00 -0.01 0.00 0.00 66.41 66.54 1pjz h THR 156 Cb 3.12 0.71 0.00 0.00 -1.07 0.00 0.00 68.15 70.92 1pjz h THR 156 CO -0.01 0.19 -0.08 -0.25 -0.01 0.00 0.00 175.52 175.36 1pjz h TRP 157 N 0.55 -0.20 -0.59 0.00 7.01 0.21 0.73 115.95 123.66 1pjz h TRP 157 Ca 0.15 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.28 1pjz h TRP 157 Cb 0.10 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 1pjz h TRP 157 CO -0.01 0.03 0.41 1.25 -2.79 0.00 0.00 178.44 177.33 1pjz h LEU 158 N -0.41 0.16 0.00 0.65 5.85 -1.28 0.98 115.31 121.26 1pjz h LEU 158 Ca -0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1pjz h LEU 158 Cb 0.32 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1pjz h LEU 158 CO 0.04 0.09 -0.46 -0.74 -0.34 0.00 0.00 178.44 177.02 1pjz h HIS 159 N 0.17 0.00 0.17 1.25 -0.00 0.28 0.57 115.15 117.60 1pjz h HIS 159 Ca 0.28 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.34 1pjz h HIS 159 Cb 0.88 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.30 1pjz h HIS 159 CO -0.00 0.00 -1.50 0.07 -0.00 0.00 0.00 177.93 176.50 1pjz h ARG 160 N 0.00 0.35 0.00 5.26 0.11 0.72 -3.33 114.38 117.49 1pjz h ARG 160 Ca 0.00 -0.60 -0.01 0.00 0.10 0.00 0.00 59.98 59.47 1pjz h ARG 160 Cb 0.89 0.22 -0.00 0.00 1.11 0.00 0.00 29.97 32.20 1pjz h ARG 160 CO 0.00 1.25 -0.38 1.55 0.10 0.00 0.00 179.97 182.49 1pjz n VAL 161 N -3.56 1.26 0.00 0.08 3.14 0.13 -4.56 118.33 114.82 1pjz n VAL 161 Ca -0.16 0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1pjz n VAL 161 Cb 1.06 -1.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 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 -3.76 0.00 -3.49 1.45 2.81 0.19 -4.15 117.12 110.17 1pjz n MET 162 Ca -0.05 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.42 1pjz n MET 162 Cb 0.19 -1.19 -0.08 0.00 -0.71 0.00 0.00 33.22 31.43 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 5.83 0.00 7.83 0.15 -0.59 -4.41 113.70 120.76 1pjz s SER 163 Ca 0.00 -1.84 0.00 0.00 0.70 0.00 0.00 55.95 54.81 1pjz s SER 163 Cb 0.00 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 1pjz s SER 163 CO 0.00 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1pjz n GLY 164 N 5.00 -0.73 0.00 9.45 0.00 -1.26 -4.90 105.19 112.75 1pjz n GLY 164 Ca -0.10 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.71 1.61 3.02 -1.26 -5.10 115.26 109.81 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 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.70 3.10 -2.14 -1.26 -0.12 118.94 117.52 1pjz s TRP 166 Ca 0.00 0.74 -0.21 0.00 2.66 0.00 0.00 56.10 59.29 1pjz s TRP 166 Cb 0.00 -0.02 0.09 0.00 -3.10 0.00 0.00 33.47 30.44 1pjz s TRP 166 CO 0.00 -0.24 0.95 -1.21 -2.66 0.00 0.00 176.95 173.79 1pjz s GLU 167 N 1.54 3.20 0.24 3.25 2.02 -0.58 -4.47 118.70 123.90 1pjz s GLU 167 Ca -0.06 -1.11 -0.30 0.00 0.02 0.00 0.00 54.97 53.52 1pjz s GLU 167 Cb -0.11 -4.37 -0.09 0.00 0.10 0.00 0.00 34.13 29.66 1pjz s GLU 167 CO -0.08 -1.76 1.05 0.08 0.02 0.00 0.00 175.26 174.58 1pjz s VAL 168 N 3.54 3.74 0.02 2.63 1.01 -1.26 -0.09 120.40 129.99 1pjz s VAL 168 Ca 0.22 1.69 0.06 0.00 0.00 0.00 0.00 61.98 63.96 1pjz s VAL 168 Cb -0.16 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1pjz s VAL 168 CO 0.05 0.38 -0.19 -0.89 0.00 0.00 0.00 175.10 174.45 1pjz s THR 169 N -0.95 1.55 0.38 3.92 2.01 0.15 -4.84 115.64 117.86 1pjz s THR 169 Ca 0.45 -1.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.18 1pjz s THR 169 Cb -0.30 -1.32 -0.09 0.00 0.01 0.00 0.00 72.50 70.80 1pjz s THR 169 CO 0.37 0.29 1.32 -1.59 -0.69 0.00 0.00 174.62 174.32 1pjz s LYS 170 N -0.83 4.09 0.06 4.92 0.00 -1.26 -0.16 119.74 126.56 1pjz s LYS 170 Ca 0.07 2.20 -0.28 0.00 0.00 0.00 0.00 55.97 57.96 1pjz s LYS 170 Cb -0.08 -2.86 0.09 0.00 0.00 0.00 0.00 37.83 34.98 1pjz s LYS 170 CO 0.01 -0.41 1.14 0.54 0.00 0.00 0.00 175.35 176.62 1pjz s VAL 171 N -1.22 0.00 0.00 1.79 0.11 0.99 -4.74 120.40 117.33 1pjz s VAL 171 Ca 0.54 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1pjz s VAL 171 Cb -0.39 -2.00 0.00 0.00 -1.53 0.00 0.00 36.38 32.46 1pjz s VAL 171 CO 0.51 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.89 1pjz n GLY 172 N -0.48 -1.59 0.00 6.54 0.00 -1.26 0.57 105.19 108.97 1pjz n GLY 172 Ca -0.07 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1pjz n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pjz n GLY 173 N 0.00 1.23 3.42 -0.02 0.00 -0.29 -4.87 105.19 104.66 1pjz n GLY 173 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 1pjz n GLY 173 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pjz s GLN 174 N -0.88 1.67 0.00 1.61 -2.07 -1.26 -0.78 119.66 117.95 1pjz s GLN 174 Ca 0.00 -1.21 0.00 0.00 -1.82 0.00 0.00 55.36 52.33 1pjz s GLN 174 Cb 0.00 -2.02 0.00 0.00 -1.09 0.00 0.00 33.01 29.90 1pjz s GLN 174 CO 0.00 0.48 0.00 -0.25 -1.32 0.00 0.00 175.29 174.20 1pjz n ASP 175 N 1.08 -3.44 -3.70 12.60 8.00 -0.56 -4.84 116.55 125.69 1pjz n ASP 175 Ca -0.17 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.03 1pjz n ASP 175 Cb 0.53 -1.79 -0.08 0.00 -0.02 0.00 0.00 41.12 39.76 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 -2.40 2.51 0.06 -3.53 5.66 -1.21 -3.97 114.28 111.40 1pjz n THR 176 Ca 0.00 -5.17 0.06 0.00 -3.05 0.00 0.00 64.05 55.88 1pjz n THR 176 Cb 0.19 -2.16 -0.06 0.00 -1.55 0.00 0.00 70.33 66.75 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 1.39 0.76 -0.34 1.09 -0.00 -1.26 -4.00 117.00 114.64 1pjz n LEU 177 Ca 0.26 0.31 0.35 0.00 -0.00 0.00 0.00 56.01 56.93 1pjz n LEU 177 Cb 0.38 0.02 0.59 0.00 -0.00 0.00 0.00 43.42 44.41 1pjz n LEU 177 CO 0.39 -0.00 1.33 1.12 -0.00 0.00 0.00 177.39 180.22 1pjz h HIS 178 N 0.00 0.00 0.50 1.47 2.07 -1.95 0.82 115.15 118.06 1pjz h HIS 178 Ca -0.09 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.41 1pjz h HIS 178 Cb 1.30 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.28 1pjz h HIS 178 CO 0.00 0.00 -0.27 0.77 -3.07 0.00 0.00 177.93 175.36 1pjz h SER 179 N 0.00 -0.67 -3.64 3.10 0.02 -1.85 -3.40 113.55 107.11 1pjz h SER 179 Ca 0.60 0.03 -0.49 0.00 -0.84 0.00 0.00 61.79 61.09 1pjz h SER 179 Cb 3.01 0.19 0.03 0.00 0.14 0.00 0.00 62.40 65.77 1pjz h SER 179 CO -0.01 -0.44 0.14 -0.94 -1.14 0.00 0.00 176.83 174.43 1pjz s SER 180 N -4.57 6.28 -0.18 3.07 1.04 0.28 -1.61 113.70 118.02 1pjz s SER 180 Ca -0.17 0.99 -0.25 0.00 0.48 0.00 0.00 55.95 57.00 1pjz s SER 180 Cb 0.04 -2.27 -0.22 0.00 0.10 0.00 0.00 66.02 63.67 1pjz s SER 180 CO 0.63 -0.59 0.44 0.00 0.98 0.00 0.00 173.24 174.71 1pjz h ALA 181 N 0.27 0.15 -1.68 5.32 0.00 -1.84 -3.33 119.26 118.15 1pjz h ALA 181 Ca -0.47 -0.91 0.50 0.00 0.00 0.00 0.00 54.91 54.03 1pjz h ALA 181 Cb 1.20 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 19.34 1pjz h ALA 181 CO 0.62 0.41 1.19 0.54 0.00 0.00 0.00 179.25 182.01 1pjz n ARG 182 N -4.51 -0.01 0.31 0.00 1.74 -1.26 0.12 116.66 113.05 1pjz n ARG 182 Ca -0.23 1.01 -0.17 0.00 -0.77 0.00 0.00 57.85 57.69 1pjz n ARG 182 Cb 0.59 -2.25 -0.09 0.00 -1.02 0.00 0.00 32.46 29.70 1pjz n ARG 182 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1pjz h GLY 183 N 0.00 -0.77 2.00 -0.13 0.00 -1.83 0.24 103.07 102.58 1pjz h GLY 183 Ca 0.84 0.28 0.00 0.00 0.00 0.00 0.00 47.33 48.45 1pjz h GLY 183 CO -0.09 -0.28 0.00 1.41 0.00 0.00 0.00 176.54 177.58 1pjz h LEU 184 N -0.75 0.00 -0.29 3.11 -0.00 0.81 1.36 115.31 119.55 1pjz h LEU 184 Ca -0.07 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.61 1pjz h LEU 184 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.22 1pjz h LEU 184 CO 0.12 0.00 -0.87 0.50 -0.00 0.00 0.00 178.44 178.19 1pjz h LYS 185 N 0.00 0.14 0.04 1.13 3.64 -0.26 -3.32 116.57 117.94 1pjz h LYS 185 Ca 0.00 -0.15 -0.38 0.00 -1.27 0.00 0.00 60.65 58.84 1pjz h LYS 185 Cb 0.53 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 1pjz h LYS 185 CO 0.00 0.92 -2.32 0.00 -2.27 0.00 0.00 179.45 175.78 1pjz n ALA 186 N -2.44 1.25 -1.04 5.00 0.00 0.77 -5.03 120.51 119.02 1pjz n ALA 186 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1pjz n ALA 186 Cb 0.81 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 2.17 -0.16 0.43 0.00 0.00 0.46 -4.89 105.19 103.20 1pjz n GLY 187 Ca -0.41 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.47 2.02 -3.57 0.99 4.32 -1.19 -5.01 117.00 114.09 1pjz n LEU 188 Ca 0.00 -1.19 -0.22 0.00 -0.02 0.00 0.00 56.01 54.58 1pjz n LEU 188 Cb 0.12 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1pjz n LEU 188 CO 0.00 0.42 -0.15 -1.84 -1.22 0.00 0.00 177.39 174.60 1pjz n GLU 189 N 0.53 -0.85 -0.33 3.23 0.00 -1.26 -4.31 120.64 117.65 1pjz n GLU 189 Ca 0.07 0.29 0.00 0.00 0.00 0.00 0.00 57.16 57.51 1pjz n GLU 189 Cb 0.28 -1.41 0.00 0.00 0.00 0.00 0.00 31.44 30.31 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 -2.51 0.00 -3.47 3.44 1.74 -1.26 -5.05 116.66 109.55 1pjz n ARG 190 Ca -0.17 0.33 -0.14 0.00 -0.77 0.00 0.00 57.85 57.09 1pjz n ARG 190 Cb 0.44 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.84 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 -3.32 1.14 -0.55 5.56 0.23 -1.25 -4.69 119.30 116.41 1pjz s MET 191 Ca 0.00 -0.11 -0.32 0.00 -1.03 0.00 0.00 55.69 54.23 1pjz s MET 191 Cb 0.00 0.53 -0.13 0.00 -1.53 0.00 0.00 34.83 33.70 1pjz s MET 191 CO 0.00 -0.44 2.38 -3.47 -2.03 0.00 0.00 175.02 171.47 1pjz n ASP 192 N 0.24 1.71 -4.00 -1.18 2.03 -1.26 -1.50 116.55 112.59 1pjz n ASP 192 Ca -0.17 0.09 -0.31 0.00 0.52 0.00 0.00 54.79 54.91 1pjz n ASP 192 Cb 0.61 -1.27 -0.15 0.00 -0.72 0.00 0.00 41.12 39.59 1pjz n ASP 192 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1pjz s GLU 193 N 7.51 1.91 0.35 -0.67 2.12 0.04 -1.53 118.70 128.43 1pjz s GLU 193 Ca 1.13 -1.19 -0.03 0.00 0.36 0.00 0.00 54.97 55.24 1pjz s GLU 193 Cb -0.77 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1pjz s GLU 193 CO 0.43 -0.60 0.60 -1.01 -0.54 0.00 0.00 175.26 174.14 1pjz s HIS 194 N 1.24 3.50 0.04 5.30 3.76 0.22 -1.14 115.29 128.22 1pjz s HIS 194 Ca -0.07 0.56 -0.11 0.00 -0.15 0.00 0.00 55.06 55.29 1pjz s HIS 194 Cb -0.19 -2.06 0.01 0.00 1.11 0.00 0.00 32.58 31.44 1pjz s HIS 194 CO -0.06 0.06 0.23 0.08 -0.85 0.00 0.00 174.74 174.20 1pjz s VAL 195 N -2.32 0.10 -0.16 -0.90 1.01 0.19 0.33 120.40 118.65 1pjz s VAL 195 Ca 0.43 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1pjz s VAL 195 Cb -0.10 -0.94 0.08 0.00 0.00 0.00 0.00 36.38 35.42 1pjz s VAL 195 CO 0.36 -0.46 0.27 -0.31 0.00 0.00 0.00 175.10 174.95 1pjz s TYR 196 N -2.62 -0.45 -0.47 5.22 2.02 0.71 -0.00 117.35 121.75 1pjz s TYR 196 Ca -0.05 0.78 -0.19 0.00 -0.37 0.00 0.00 57.07 57.25 1pjz s TYR 196 Cb -0.01 -0.10 0.04 0.00 -0.40 0.00 0.00 41.96 41.49 1pjz s TYR 196 CO -0.04 -0.47 0.58 0.54 -1.57 0.00 0.00 175.55 174.59 1pjz s VAL 197 N 2.42 4.92 0.11 0.71 0.11 0.77 0.33 120.40 129.76 1pjz s VAL 197 Ca 0.04 -0.33 0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1pjz s VAL 197 Cb -0.13 -4.22 -0.04 0.00 -1.53 0.00 0.00 36.38 30.46 1pjz s VAL 197 CO -0.10 -0.67 0.26 -1.48 -3.33 0.00 0.00 175.10 169.77 1pjz s LEU 198 N 2.55 4.35 -0.41 2.54 2.34 0.14 0.35 118.68 130.54 1pjz s LEU 198 Ca 0.16 0.23 -0.03 0.00 0.06 0.00 0.00 54.13 54.54 1pjz s LEU 198 Cb -0.18 -2.94 0.11 0.00 -0.56 0.00 0.00 46.19 42.62 1pjz s LEU 198 CO 0.14 0.10 0.21 -1.61 -1.06 0.00 0.00 176.35 174.13 1pjz s GLU 199 N -2.91 2.06 -0.76 1.48 2.02 0.87 0.73 118.70 122.20 1pjz s GLU 199 Ca 0.35 -1.79 -0.26 0.00 0.02 0.00 0.00 54.97 53.29 1pjz s GLU 199 Cb -0.12 -3.60 -0.07 0.00 0.10 0.00 0.00 34.13 30.44 1pjz s GLU 199 CO 0.28 -1.07 2.11 0.50 0.02 0.00 0.00 175.26 177.10 1pjz s ARG 200 N 1.17 2.27 0.00 1.61 3.52 0.22 -1.52 118.95 126.21 1pjz s ARG 200 Ca 0.08 0.33 0.21 0.00 -0.13 0.00 0.00 55.73 56.22 1pjz s ARG 200 Cb -0.23 -4.78 1.27 0.00 -1.56 0.00 0.00 34.95 29.65 1pjz s ARG 200 CO -0.04 -3.49 1.65 1.33 -0.81 0.00 0.00 175.30 173.94