#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 0.90 0.00 -1.40 6.02 -1.26 -3.70 117.38 117.95 1pjz n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1pjz n GLN 2 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1pjz n GLN 2 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1pjz n SER 3 N -1.43 0.00 -3.42 1.08 2.88 -1.26 -4.63 113.62 106.84 1pjz n SER 3 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 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 0.73 -0.53 -1.46 -1.05 -1.26 -5.03 118.70 110.11 1pjz s GLU 4 Ca 0.00 -1.74 0.05 0.00 -0.15 0.00 0.00 54.97 53.13 1pjz s GLU 4 Cb 0.00 -1.35 0.18 0.00 -0.44 0.00 0.00 34.13 32.52 1pjz s GLU 4 CO 0.00 -1.30 0.44 1.55 0.95 0.00 0.00 175.26 176.89 1pjz n VAL 5 N 3.41 0.05 -2.87 1.83 3.14 -1.26 -4.81 118.33 117.82 1pjz n VAL 5 Ca 0.21 -4.09 -0.02 0.00 -2.96 0.00 0.00 64.34 57.49 1pjz n VAL 5 Cb 0.43 -1.89 0.00 0.00 -1.06 0.00 0.00 33.84 31.32 1pjz n VAL 5 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1pjz n ASN 6 N 2.28 -5.70 -0.34 6.55 3.02 -1.26 -3.38 115.26 116.43 1pjz n ASN 6 Ca 0.26 0.33 0.31 0.00 -0.03 0.00 0.00 54.58 55.45 1pjz n ASN 6 Cb 0.43 -1.38 0.58 0.00 -0.61 0.00 0.00 39.78 38.81 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 3.21 0.07 0.45 3.52 -0.00 -1.94 0.75 116.57 122.63 1pjz h LYS 7 Ca -0.02 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.60 1pjz h LYS 7 Cb 0.89 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.11 1pjz h LYS 7 CO 0.01 0.04 -0.22 -0.44 -0.00 0.00 0.00 179.45 178.85 1pjz h ASP 8 N 0.07 -0.51 -0.21 7.07 3.32 -1.97 0.22 116.42 124.42 1pjz h ASP 8 Ca 0.83 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.81 1pjz h ASP 8 Cb 2.20 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 41.84 1pjz h ASP 8 CO -0.70 -0.17 -0.25 0.25 -1.72 0.00 0.00 179.24 176.65 1pjz h LEU 9 N -0.88 -0.85 -1.57 1.55 7.12 0.21 1.26 115.31 122.15 1pjz h LEU 9 Ca -0.06 0.11 0.15 0.00 0.13 0.00 0.00 57.88 58.21 1pjz h LEU 9 Cb 0.57 0.35 -0.05 0.00 -0.53 0.00 0.00 40.66 41.00 1pjz h LEU 9 CO 0.10 -0.18 0.50 0.06 -0.13 0.00 0.00 178.44 178.80 1pjz h GLN 10 N -0.17 0.42 0.00 1.25 3.07 -1.07 0.33 115.11 118.94 1pjz h GLN 10 Ca 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1pjz h GLN 10 Cb 0.26 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.73 1pjz h GLN 10 CO -0.28 0.28 0.00 0.94 0.09 0.00 0.00 178.83 179.86 1pjz n GLN 11 N -4.48 0.00 -0.25 0.06 7.27 0.10 -0.97 117.38 119.11 1pjz n GLN 11 Ca 0.14 0.01 -0.05 0.00 0.07 0.00 0.00 57.00 57.17 1pjz n GLN 11 Cb 0.52 -0.80 0.01 0.00 2.41 0.00 0.00 30.24 32.37 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 -1.03 -0.02 3.69 0.05 0.14 0.52 116.97 120.32 1pjz h TYR 12 Ca 0.00 0.08 0.02 0.00 0.05 0.00 0.00 58.73 58.88 1pjz h TYR 12 Cb 0.00 0.55 -0.05 0.00 1.01 0.00 0.00 36.73 38.25 1pjz h TYR 12 CO 0.00 -0.39 -0.44 2.35 -1.05 0.00 0.00 178.16 178.63 1pjz h TRP 13 N -0.13 -1.29 -1.28 4.88 2.91 -0.46 2.93 115.95 123.51 1pjz h TRP 13 Ca 0.25 0.04 0.42 0.00 1.13 0.00 0.00 58.89 60.73 1pjz h TRP 13 Cb 0.56 0.57 -0.13 0.00 -0.51 0.00 0.00 29.16 29.65 1pjz h TRP 13 CO -0.71 -0.46 0.82 1.03 -1.03 0.00 0.00 178.44 178.08 1pjz h SER 14 N -0.54 0.27 0.01 2.65 0.87 0.61 0.39 113.55 117.82 1pjz h SER 14 Ca 0.01 0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 1pjz h SER 14 Cb 0.58 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1pjz h SER 14 CO -0.30 -0.17 -0.25 -1.28 -0.53 0.00 0.00 176.83 174.30 1pjz h SER 15 N 0.12 0.03 -1.00 6.23 0.87 0.17 -3.32 113.55 116.65 1pjz h SER 15 Ca 0.80 -0.92 0.32 0.00 -1.23 0.00 0.00 61.79 60.76 1pjz h SER 15 Cb 2.44 -0.01 -0.18 0.00 -0.44 0.00 0.00 62.40 64.21 1pjz h SER 15 CO -0.43 1.10 0.19 -0.07 -0.53 0.00 0.00 176.83 177.10 1pjz h LEU 16 N -0.96 -0.23 -1.28 2.23 -0.00 0.92 -3.44 115.31 112.56 1pjz h LEU 16 Ca -0.06 0.28 -0.23 0.00 -0.00 0.00 0.00 57.88 57.87 1pjz h LEU 16 Cb 1.09 0.42 0.09 0.00 -0.00 0.00 0.00 40.66 42.27 1pjz h LEU 16 CO -0.02 -0.39 -0.44 -3.20 -0.00 0.00 0.00 178.44 174.39 1pjz n ASN 17 N -5.42 -3.58 -4.64 -0.43 2.85 -0.25 -4.91 115.26 98.88 1pjz n ASN 17 Ca 0.28 -0.35 -0.46 0.00 -0.11 0.00 0.00 54.58 53.94 1pjz n ASN 17 Cb 0.94 -3.29 -0.03 0.00 1.24 0.00 0.00 39.78 38.64 1pjz n ASN 17 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1pjz n VAL 18 N -3.57 0.88 -1.22 3.44 0.31 -1.26 -4.82 118.33 112.10 1pjz n VAL 18 Ca -0.07 -0.22 -0.39 0.00 -0.01 0.00 0.00 64.34 63.65 1pjz n VAL 18 Cb 0.56 -1.28 -0.00 0.00 -0.91 0.00 0.00 33.84 32.22 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 1.86 0.48 -2.31 2.52 0.24 -1.26 -4.74 118.33 115.12 1pjz n VAL 19 Ca 0.13 -0.47 -0.40 0.00 -2.04 0.00 0.00 64.34 61.55 1pjz n VAL 19 Cb 0.29 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.63 1pjz n VAL 19 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1pjz s PRO 20 N -0.95 3.05 0.00 7.34 0.04 -1.26 -2.06 135.00 141.16 1pjz s PRO 20 Ca 0.56 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1pjz s PRO 20 Cb -0.58 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 29.74 1pjz s PRO 20 CO 0.60 -2.25 0.00 0.41 0.04 0.00 0.00 177.00 175.80 1pjz n GLY 21 N 5.44 0.87 3.02 0.56 0.00 -1.17 -5.03 105.19 108.87 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 -0.79 -4.45 -2.68 4.61 0.00 -0.87 -3.25 120.51 113.08 1pjz n ALA 22 Ca 0.00 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 1pjz n ALA 22 Cb 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1pjz n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pjz s ARG 23 N -1.55 4.37 -0.25 0.00 1.81 -0.74 -1.52 118.95 121.08 1pjz s ARG 23 Ca 0.46 1.29 -0.07 0.00 -1.72 0.00 0.00 55.73 55.69 1pjz s ARG 23 Cb -0.30 -3.57 -0.03 0.00 -0.45 0.00 0.00 34.95 30.60 1pjz s ARG 23 CO 0.74 -0.37 0.07 0.08 -0.68 0.00 0.00 175.30 175.14 1pjz s VAL 24 N 2.23 4.33 -0.10 3.52 1.01 0.61 -1.73 120.40 130.28 1pjz s VAL 24 Ca 0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1pjz s VAL 24 Cb -0.17 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1pjz s VAL 24 CO 0.15 0.34 -0.01 -0.22 0.00 0.00 0.00 175.10 175.36 1pjz s LEU 25 N 1.57 3.48 -0.26 3.92 1.98 -0.38 0.07 118.68 129.06 1pjz s LEU 25 Ca 0.06 0.08 -0.04 0.00 -2.89 0.00 0.00 54.13 51.34 1pjz s LEU 25 Cb -0.15 -1.80 0.09 0.00 0.66 0.00 0.00 46.19 44.99 1pjz s LEU 25 CO 0.04 0.34 0.12 0.68 -1.89 0.00 0.00 176.35 175.63 1pjz s VAL 26 N -0.65 -0.06 -0.06 1.68 -7.23 -1.13 0.19 120.40 113.13 1pjz s VAL 26 Ca 0.10 -0.60 -0.30 0.00 -1.81 0.00 0.00 61.98 59.38 1pjz s VAL 26 Cb -0.12 -0.87 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 1pjz s VAL 26 CO 0.02 -0.60 1.22 -2.16 -0.31 0.00 0.00 175.10 173.27 1pjz s PRO 27 N 2.10 4.34 -0.34 4.82 0.04 -1.25 -1.39 135.00 143.33 1pjz s PRO 27 Ca 0.07 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.75 1pjz s PRO 27 Cb -0.16 -3.57 0.01 0.00 0.04 0.00 0.00 34.50 30.82 1pjz s PRO 27 CO -0.29 -0.47 0.09 1.47 0.04 0.00 0.00 177.00 177.85 1pjz n LEU 28 N 5.28 -0.12 0.09 -3.56 -0.00 0.33 -4.37 117.00 114.65 1pjz n LEU 28 Ca 0.11 -0.32 -0.16 0.00 -0.00 0.00 0.00 56.01 55.64 1pjz n LEU 28 Cb 0.46 -0.39 -0.14 0.00 -0.00 0.00 0.00 43.42 43.35 1pjz n LEU 28 CO 0.55 0.17 -0.18 0.00 -0.00 0.00 0.00 177.39 177.93 1pjz n GLY 30 N 1.59 0.48 0.82 0.00 0.00 -1.26 -4.76 105.19 102.07 1pjz n GLY 30 Ca -0.12 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.24 -2.26 -3.73 1.61 0.00 -1.26 -5.09 118.16 105.19 1pjz n LYS 31 Ca -0.04 1.72 -0.05 0.00 0.00 0.00 0.00 58.31 59.94 1pjz n LYS 31 Cb 0.31 -2.05 -0.02 0.00 0.00 0.00 0.00 35.03 33.27 1pjz n LYS 31 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1pjz s SER 32 N -3.56 -0.23 0.47 3.14 0.15 -1.26 -5.01 113.70 107.41 1pjz s SER 32 Ca 0.00 -0.37 0.22 0.00 0.70 0.00 0.00 55.95 56.50 1pjz s SER 32 Cb 0.00 0.52 1.22 0.00 -1.71 0.00 0.00 66.02 66.05 1pjz s SER 32 CO 0.00 -0.94 1.91 1.56 1.20 0.00 0.00 173.24 176.97 1pjz h GLN 33 N 2.00 0.23 0.82 5.44 1.08 -1.89 -1.01 115.11 121.78 1pjz h GLN 33 Ca -0.23 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 56.91 1pjz h GLN 33 Cb 1.24 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.62 1pjz h GLN 33 CO 0.26 0.15 -0.39 0.22 -0.95 0.00 0.00 178.83 178.12 1pjz h ASP 34 N 0.24 -0.93 -0.57 1.46 3.58 -1.90 0.45 116.42 118.76 1pjz h ASP 34 Ca 0.39 0.03 0.10 0.00 0.42 0.00 0.00 57.03 57.97 1pjz h ASP 34 Cb 1.15 0.24 -0.08 0.00 1.72 0.00 0.00 39.33 42.36 1pjz h ASP 34 CO -0.09 -0.65 0.13 -0.03 -2.88 0.00 0.00 179.24 175.72 1pjz h MET 35 N -1.11 0.26 -0.20 0.28 4.05 -1.62 0.19 114.93 116.78 1pjz h MET 35 Ca -0.11 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.25 1pjz h MET 35 Cb 0.84 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.57 1pjz h MET 35 CO 0.18 0.17 -0.08 1.03 0.23 0.00 0.00 176.91 178.45 1pjz h SER 36 N 0.27 0.28 -0.51 1.39 0.87 -1.11 -0.97 113.55 113.78 1pjz h SER 36 Ca 0.29 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.72 1pjz h SER 36 Cb 0.41 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1pjz h SER 36 CO -0.36 0.40 0.02 -0.25 -0.53 0.00 0.00 176.83 176.10 1pjz h TRP 37 N 0.29 1.00 0.57 2.24 7.01 0.28 -0.45 115.95 126.89 1pjz h TRP 37 Ca 0.06 -0.15 -0.03 0.00 2.11 0.00 0.00 58.89 60.88 1pjz h TRP 37 Cb 0.33 -0.27 0.01 0.00 -2.10 0.00 0.00 29.16 27.13 1pjz h TRP 37 CO 0.01 0.89 -0.28 -0.07 -2.79 0.00 0.00 178.44 176.20 1pjz h LEU 38 N 0.86 -0.65 -1.14 0.65 3.38 0.11 0.22 115.31 118.73 1pjz h LEU 38 Ca 0.16 0.02 0.30 0.00 0.09 0.00 0.00 57.88 58.45 1pjz h LEU 38 Cb 0.49 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 41.28 1pjz h LEU 38 CO 0.02 -0.36 0.64 0.28 0.09 0.00 0.00 178.44 179.10 1pjz h SER 39 N -0.97 0.52 0.55 -0.43 0.02 -1.19 1.61 113.55 113.65 1pjz h SER 39 Ca -0.08 0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 1pjz h SER 39 Cb 0.59 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 1pjz h SER 39 CO 0.13 -0.01 -0.52 1.23 -1.14 0.00 0.00 176.83 176.52 1pjz h GLY 40 N 0.39 0.00 1.49 -3.77 0.00 -0.93 -3.05 103.07 97.22 1pjz h GLY 40 Ca 0.68 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.72 1pjz h GLY 40 CO -0.46 0.00 -1.34 1.46 0.00 0.00 0.00 176.54 176.20 1pjz h GLN 41 N 0.00 0.34 0.00 4.80 1.08 0.41 -3.49 115.11 118.25 1pjz h GLN 41 Ca -0.01 -0.58 0.00 0.00 -1.45 0.00 0.00 58.65 56.61 1pjz h GLN 41 Cb 0.94 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1pjz h GLN 41 CO 0.07 1.27 0.00 0.41 -0.95 0.00 0.00 178.83 179.63 1pjz n GLY 42 N 1.60 0.69 3.37 3.46 0.00 0.23 -5.04 105.19 109.50 1pjz n GLY 42 Ca -0.12 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.81 1.66 -1.20 1.61 1.51 -1.19 -3.07 117.35 115.85 1pjz s TYR 43 Ca 0.00 -1.27 -0.10 0.00 -1.01 0.00 0.00 57.07 54.69 1pjz s TYR 43 Cb 0.00 -0.96 0.20 0.00 -0.11 0.00 0.00 41.96 41.09 1pjz s TYR 43 CO 0.00 -0.38 1.54 1.58 -1.11 0.00 0.00 175.55 177.18 1pjz n HIS 44 N -0.62 4.02 -2.04 2.71 -0.00 -0.58 -4.67 115.22 114.05 1pjz n HIS 44 Ca -0.01 -3.16 -0.43 0.00 0.46 0.00 0.00 57.72 54.59 1pjz n HIS 44 Cb 0.65 -1.93 -0.03 0.00 -0.12 0.00 0.00 29.99 28.57 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 0.22 3.56 -0.16 3.57 1.01 -1.26 -0.28 120.40 127.06 1pjz s VAL 45 Ca 0.39 0.60 -0.04 0.00 0.00 0.00 0.00 61.98 62.92 1pjz s VAL 45 Cb 0.01 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.82 1pjz s VAL 45 CO 0.00 -0.34 0.16 0.54 0.00 0.00 0.00 175.10 175.46 1pjz s VAL 46 N 6.03 -0.22 0.08 2.92 0.11 0.11 -1.09 120.40 128.33 1pjz s VAL 46 Ca 0.77 0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.81 1pjz s VAL 46 Cb -0.24 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 1pjz s VAL 46 CO 0.32 -0.13 0.12 0.61 -3.33 0.00 0.00 175.10 172.69 1pjz n GLY 47 N 5.31 2.61 3.17 6.54 0.00 0.68 -2.85 105.19 120.65 1pjz n GLY 47 Ca -0.06 -1.33 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 1pjz n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz s ALA 48 N -1.66 0.36 -0.03 4.61 0.00 -0.48 -1.04 121.76 123.52 1pjz s ALA 48 Ca 0.05 -1.10 0.06 0.00 0.00 0.00 0.00 51.96 50.98 1pjz s ALA 48 Cb -0.00 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 1pjz s ALA 48 CO 0.04 -0.47 -0.23 -1.21 0.00 0.00 0.00 175.76 173.89 1pjz s GLU 49 N -3.95 2.07 -1.18 0.00 0.41 -0.45 -0.51 118.70 115.08 1pjz s GLU 49 Ca 0.12 -0.81 -0.05 0.00 -0.41 0.00 0.00 54.97 53.82 1pjz s GLU 49 Cb 0.06 -1.87 0.23 0.00 -1.78 0.00 0.00 34.13 30.78 1pjz s GLU 49 CO -0.06 0.41 1.83 1.28 -0.49 0.00 0.00 175.26 178.24 1pjz n LEU 50 N 2.77 6.96 -3.72 1.80 7.99 -1.18 -0.18 117.00 131.44 1pjz n LEU 50 Ca -0.17 -5.00 -0.13 0.00 -0.01 0.00 0.00 56.01 50.70 1pjz n LEU 50 Cb 0.52 -1.34 -0.10 0.00 -0.11 0.00 0.00 43.42 42.40 1pjz n LEU 50 CO 0.24 1.72 0.11 -0.55 -1.51 0.00 0.00 177.39 177.41 1pjz s SER 51 N -0.49 -0.46 -0.10 -1.43 0.15 0.69 -4.96 113.70 107.10 1pjz s SER 51 Ca 0.39 0.88 -0.10 0.00 0.70 0.00 0.00 55.95 57.83 1pjz s SER 51 Cb 0.11 0.89 -0.03 0.00 -1.71 0.00 0.00 66.02 65.28 1pjz s SER 51 CO -0.00 -0.15 -0.19 1.21 1.20 0.00 0.00 173.24 175.31 1pjz n GLU 52 N 2.88 0.31 0.08 5.44 2.13 -1.26 -2.33 120.64 127.88 1pjz n GLU 52 Ca -0.13 0.19 0.21 0.00 0.66 0.00 0.00 57.16 58.08 1pjz n GLU 52 Cb 0.57 -1.11 0.74 0.00 0.27 0.00 0.00 31.44 31.91 1pjz n GLU 52 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pjz h ALA 53 N -1.41 2.15 -0.19 4.31 0.00 -1.99 0.37 119.26 122.51 1pjz h ALA 53 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1pjz h ALA 53 Cb 0.53 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1pjz h ALA 53 CO 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 179.25 178.47 1pjz h ALA 54 N 1.50 0.27 -0.19 0.00 0.00 -1.98 0.22 119.26 119.08 1pjz h ALA 54 Ca 0.20 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1pjz h ALA 54 Cb 1.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1pjz h ALA 54 CO -0.00 0.11 0.11 -0.39 0.00 0.00 0.00 179.25 179.08 1pjz h VAL 55 N 0.10 1.09 -0.26 0.00 -1.51 -0.42 0.15 116.25 115.40 1pjz h VAL 55 Ca 0.04 -0.23 -0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1pjz h VAL 55 Cb 0.60 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 1pjz h VAL 55 CO 0.03 0.08 0.15 -0.33 -1.23 0.00 0.00 177.57 176.27 1pjz h GLU 56 N 0.21 0.35 0.00 5.19 5.08 -1.21 -0.71 114.58 123.49 1pjz h GLU 56 Ca 0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1pjz h GLU 56 Cb 0.04 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1pjz h GLU 56 CO -0.01 0.29 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.15 1pjz h ARG 57 N 0.32 0.00 -0.13 2.33 9.65 -0.29 -0.91 114.38 125.34 1pjz h ARG 57 Ca 0.09 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.86 1pjz h ARG 57 Cb 0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1pjz h ARG 57 CO -0.02 0.05 -0.34 1.88 2.80 0.00 0.00 179.97 184.34 1pjz h TYR 58 N 0.00 0.59 -0.33 2.20 -1.99 0.23 0.40 116.97 118.06 1pjz h TYR 58 Ca -0.00 -0.23 -0.06 0.00 2.00 0.00 0.00 58.73 60.44 1pjz h TYR 58 Cb 0.09 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.70 1pjz h TYR 58 CO 0.00 0.96 -0.07 0.74 -0.00 0.00 0.00 178.16 179.78 1pjz h PHE 59 N 0.06 0.57 0.00 4.88 0.04 -0.50 0.23 116.94 122.22 1pjz h PHE 59 Ca -0.01 -0.08 -0.23 0.00 2.80 0.00 0.00 57.97 60.46 1pjz h PHE 59 Cb 0.95 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.91 1pjz h PHE 59 CO 0.11 0.61 -1.19 0.00 -0.60 0.00 0.00 178.31 177.23 1pjz h THR 60 N 0.51 1.48 -0.17 -1.55 1.03 -1.17 0.50 112.91 113.53 1pjz h THR 60 Ca 0.10 -3.23 -0.20 0.00 -0.01 0.00 0.00 66.41 63.07 1pjz h THR 60 Cb 0.44 2.73 0.01 0.00 -1.07 0.00 0.00 68.15 70.26 1pjz h THR 60 CO 0.02 0.84 -0.69 -0.33 -0.01 0.00 0.00 175.52 175.35 1pjz h GLU 61 N 0.00 0.78 0.04 0.00 4.39 0.18 -3.29 114.58 116.68 1pjz h GLU 61 Ca -0.08 -0.60 -0.31 0.00 0.34 0.00 0.00 59.36 58.71 1pjz h GLU 61 Cb 1.83 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 30.56 1pjz h GLU 61 CO 0.12 1.22 -1.73 0.00 -1.16 0.00 0.00 179.01 177.45 1pjz h ARG 62 N 0.51 0.08 -5.86 2.33 -0.00 -0.65 -3.49 114.38 107.31 1pjz h ARG 62 Ca -0.04 -0.15 -0.40 0.00 -0.50 0.00 0.00 59.98 58.90 1pjz h ARG 62 Cb 1.32 0.05 0.14 0.00 0.00 0.00 0.00 29.97 31.48 1pjz h ARG 62 CO 0.14 0.74 -0.69 0.41 0.00 0.00 0.00 179.97 180.58 1pjz n GLY 63 N 1.66 -0.54 0.28 0.04 0.00 0.18 -4.88 105.19 101.93 1pjz n GLY 63 Ca -0.20 0.25 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1pjz n GLY 63 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pjz n GLU 64 N -4.98 0.06 -2.48 1.61 0.28 -1.23 -5.05 120.64 108.85 1pjz n GLU 64 Ca 0.00 0.02 -0.06 0.00 -0.16 0.00 0.00 57.16 56.96 1pjz n GLU 64 Cb 0.56 -0.92 0.01 0.00 1.43 0.00 0.00 31.44 32.52 1pjz n GLU 64 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1pjz n GLN 65 N -2.74 -1.71 0.00 3.44 6.02 -1.26 -5.05 117.38 116.08 1pjz n GLN 65 Ca -0.05 1.67 0.00 0.00 -0.01 0.00 0.00 57.00 58.61 1pjz n GLN 65 Cb 0.55 -4.54 0.00 0.00 1.02 0.00 0.00 30.24 27.26 1pjz n GLN 65 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1pjz n PRO 66 N -0.39 1.83 -1.84 -1.09 -0.04 -1.26 -4.78 135.00 127.43 1pjz n PRO 66 Ca 0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 1pjz n PRO 66 Cb 0.34 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.72 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 0.00 1.56 -0.12 0.54 2.46 0.30 -4.86 115.29 115.18 1pjz s HIS 67 Ca 0.00 1.30 -0.22 0.00 0.47 0.00 0.00 55.06 56.61 1pjz s HIS 67 Cb 0.00 -3.72 -0.03 0.00 -0.13 0.00 0.00 32.58 28.70 1pjz s HIS 67 CO 0.00 -1.25 0.66 0.42 -2.47 0.00 0.00 174.74 172.10 1pjz s ILE 68 N 13.18 5.04 0.12 0.89 -1.09 -1.25 -1.44 121.20 136.65 1pjz s ILE 68 Ca 0.77 1.31 0.08 0.00 -2.23 0.00 0.00 60.65 60.58 1pjz s ILE 68 Cb -0.06 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1pjz s ILE 68 CO 0.10 0.20 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.92 1pjz s THR 69 N 1.24 1.77 -0.38 2.92 2.01 0.35 -4.93 115.64 118.62 1pjz s THR 69 Ca 0.33 -1.67 -0.08 0.00 0.31 0.00 0.00 61.69 60.59 1pjz s THR 69 Cb -0.17 -1.66 0.06 0.00 0.01 0.00 0.00 72.50 70.74 1pjz s THR 69 CO 0.14 -0.13 0.18 -0.44 -0.69 0.00 0.00 174.62 173.67 1pjz s SER 70 N -2.15 5.46 -0.87 3.53 0.01 -1.26 0.03 113.70 118.45 1pjz s SER 70 Ca 0.10 -1.32 -0.07 0.00 1.31 0.00 0.00 55.95 55.97 1pjz s SER 70 Cb -0.09 -1.92 0.22 0.00 0.21 0.00 0.00 66.02 64.44 1pjz s SER 70 CO 0.05 -0.42 0.78 -1.10 0.41 0.00 0.00 173.24 172.95 1pjz s GLN 71 N 1.41 3.43 5.31 12.44 -1.52 0.74 -4.97 119.66 136.49 1pjz s GLN 71 Ca 0.01 -2.87 0.00 0.00 -1.95 0.00 0.00 55.36 50.55 1pjz s GLN 71 Cb -0.21 -4.18 0.00 0.00 -0.22 0.00 0.00 33.01 28.40 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 3.14 1.27 2.09 3.09 0.00 -1.26 0.11 105.19 113.64 1pjz n GLY 72 Ca 0.17 0.45 -0.18 0.00 0.00 0.00 0.00 46.02 46.46 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 10.97 3.98 -3.84 1.61 2.03 -1.26 -4.94 116.55 125.12 1pjz n ASP 73 Ca 0.00 -3.51 -0.14 0.00 0.52 0.00 0.00 54.79 51.66 1pjz n ASP 73 Cb 0.00 -0.80 -0.08 0.00 -0.72 0.00 0.00 41.12 39.52 1pjz n ASP 73 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1pjz s PHE 74 N -3.21 1.19 0.35 -0.67 0.08 0.12 -5.05 117.98 110.79 1pjz s PHE 74 Ca 0.56 -1.35 0.05 0.00 0.12 0.00 0.00 56.93 56.31 1pjz s PHE 74 Cb 0.46 -0.44 -0.07 0.00 -0.57 0.00 0.00 43.02 42.41 1pjz s PHE 74 CO 0.11 -0.81 0.02 0.21 -0.10 0.00 0.00 175.22 174.65 1pjz s LYS 75 N -3.82 1.75 -0.31 0.44 2.20 -1.26 -0.18 119.74 118.56 1pjz s LYS 75 Ca 0.36 -1.96 -0.02 0.00 -0.36 0.00 0.00 55.97 54.00 1pjz s LYS 75 Cb 0.04 -1.20 0.12 0.00 -1.51 0.00 0.00 37.83 35.28 1pjz s LYS 75 CO 0.17 -0.10 0.21 0.08 -0.36 0.00 0.00 175.35 175.36 1pjz s VAL 76 N -3.03 -0.15 -0.57 4.02 1.01 0.10 -1.44 120.40 120.35 1pjz s VAL 76 Ca 0.35 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 1pjz s VAL 76 Cb 0.08 -0.98 0.10 0.00 0.00 0.00 0.00 36.38 35.59 1pjz s VAL 76 CO 0.16 -0.70 0.65 -0.47 0.00 0.00 0.00 175.10 174.74 1pjz s TYR 77 N 1.90 3.06 -0.22 5.22 6.14 0.53 -0.50 117.35 133.48 1pjz s TYR 77 Ca 0.12 -0.98 -0.05 0.00 0.64 0.00 0.00 57.07 56.80 1pjz s TYR 77 Cb -0.17 -3.90 -0.02 0.00 0.42 0.00 0.00 41.96 38.30 1pjz s TYR 77 CO -0.25 -1.20 -0.01 0.00 0.64 0.00 0.00 175.55 174.73 1pjz s ALA 78 N 2.45 2.93 0.34 3.97 0.00 -0.52 -0.90 121.76 130.02 1pjz s ALA 78 Ca 0.10 -1.13 -0.07 0.00 0.00 0.00 0.00 51.96 50.86 1pjz s ALA 78 Cb -0.25 -1.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 1pjz s ALA 78 CO 0.06 -0.40 0.64 0.00 0.00 0.00 0.00 175.76 176.06 1pjz s ALA 79 N 1.43 3.52 -1.73 0.00 0.00 -1.24 -0.54 121.76 123.21 1pjz s ALA 79 Ca 0.05 -0.45 0.23 0.00 0.00 0.00 0.00 51.96 51.80 1pjz s ALA 79 Cb -0.14 -2.44 1.29 0.00 0.00 0.00 0.00 23.12 21.82 1pjz s ALA 79 CO -0.01 0.12 1.77 -0.35 0.00 0.00 0.00 175.76 177.29 1pjz n PRO 80 N -1.16 0.55 -0.10 0.00 -0.04 -1.26 -3.38 135.00 129.61 1pjz n PRO 80 Ca -0.00 0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.31 1pjz n PRO 80 Cb 0.54 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 1pjz n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pjz n GLY 81 N 0.57 -0.77 3.66 0.55 0.00 -1.26 -5.02 105.19 102.92 1pjz n GLY 81 Ca 0.15 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1pjz n GLY 81 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pjz s ILE 82 N -2.41 1.69 -0.75 -0.61 -1.16 -1.22 -5.05 121.20 111.69 1pjz s ILE 82 Ca -0.27 -2.00 -0.01 0.00 -0.51 0.00 0.00 60.65 57.86 1pjz s ILE 82 Cb 0.06 -2.72 0.38 0.00 0.61 0.00 0.00 42.46 40.79 1pjz s ILE 82 CO 0.46 0.00 1.88 -0.62 -2.81 0.00 0.00 174.94 173.85 1pjz n GLU 83 N -1.05 2.86 -3.97 3.50 4.71 -0.25 -3.70 120.64 122.73 1pjz n GLU 83 Ca -0.09 -3.64 -0.35 0.00 -0.01 0.00 0.00 57.16 53.07 1pjz n GLU 83 Cb 0.67 -2.27 -0.12 0.00 -1.01 0.00 0.00 31.44 28.71 1pjz n GLU 83 CO 0.00 0.00 0.00 -1.50 0.09 0.00 0.00 177.13 175.72 1pjz s ILE 84 N -5.09 4.20 -0.38 -3.67 -1.16 -1.25 -0.23 121.20 113.63 1pjz s ILE 84 Ca 0.54 -0.23 -0.06 0.00 -0.51 0.00 0.00 60.65 60.39 1pjz s ILE 84 Cb 0.45 -2.92 0.07 0.00 0.61 0.00 0.00 42.46 40.67 1pjz s ILE 84 CO -0.31 0.41 0.17 -1.66 -2.81 0.00 0.00 174.94 170.73 1pjz s TRP 85 N 1.08 3.38 0.14 3.50 1.48 -0.20 -3.45 118.94 124.87 1pjz s TRP 85 Ca 0.03 -1.81 -0.30 0.00 -1.06 0.00 0.00 56.10 52.96 1pjz s TRP 85 Cb -0.14 -2.74 -0.07 0.00 -1.16 0.00 0.00 33.47 29.36 1pjz s TRP 85 CO 0.02 -0.85 1.15 0.00 -4.06 0.00 0.00 176.95 173.21 1pjz n GLY 87 N 2.42 0.93 3.56 0.00 0.00 0.75 -0.35 105.19 112.50 1pjz n GLY 87 Ca 0.05 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 1pjz n GLY 87 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pjz s ASP 88 N -4.00 3.86 -0.40 1.61 -4.77 -0.52 -0.22 116.67 112.23 1pjz s ASP 88 Ca 0.00 -1.10 0.02 0.00 -3.30 0.00 0.00 52.55 48.17 1pjz s ASP 88 Cb 0.00 -0.41 0.12 0.00 -1.09 0.00 0.00 42.92 41.54 1pjz s ASP 88 CO 0.00 -0.17 0.17 0.12 0.70 0.00 0.00 175.17 175.99 1pjz s PHE 89 N -2.56 2.42 0.00 2.11 5.36 -1.26 -4.49 117.98 119.56 1pjz s PHE 89 Ca 0.33 -2.46 0.00 0.00 -0.96 0.00 0.00 56.93 53.84 1pjz s PHE 89 Cb 0.00 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.51 1pjz s PHE 89 CO 0.17 -0.84 0.00 0.34 -1.46 0.00 0.00 175.22 173.44 1pjz n PHE 90 N 3.98 0.00 -2.56 10.12 7.35 -1.26 -5.02 117.46 130.07 1pjz n PHE 90 Ca 0.04 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.72 1pjz n PHE 90 Cb 0.38 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.20 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1pjz n ALA 91 N 0.00 -2.16 0.00 3.13 0.00 -1.26 -4.99 120.51 115.23 1pjz n ALA 91 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1pjz n ALA 91 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.21 0.05 -1.95 0.00 -0.00 -1.26 -5.10 117.00 108.54 1pjz n LEU 92 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.89 1pjz n LEU 92 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1pjz n LEU 92 CO -0.04 0.01 0.06 0.41 -0.00 0.00 0.00 177.39 177.82 1pjz n THR 93 N -0.96 -4.34 0.09 1.47 -1.04 -1.26 -4.60 114.28 103.63 1pjz n THR 93 Ca 0.00 0.11 0.05 0.00 -2.04 0.00 0.00 64.05 62.17 1pjz n THR 93 Cb 0.02 -4.80 0.24 0.00 -1.82 0.00 0.00 70.33 63.97 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 -0.82 0.77 -0.04 2.41 0.00 -1.20 -0.66 120.51 120.98 1pjz n ALA 94 Ca 0.02 0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 1pjz n ALA 94 Cb 0.31 -0.89 -0.11 0.00 0.00 0.00 0.00 19.45 18.76 1pjz n ALA 94 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1pjz h ARG 95 N 0.00 -0.02 0.44 0.00 2.43 0.77 0.43 114.38 118.44 1pjz h ARG 95 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1pjz h ARG 95 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1pjz h ARG 95 CO 0.00 0.72 -0.21 0.22 -1.51 0.00 0.00 179.97 179.19 1pjz h ASP 96 N -0.79 -0.50 -0.53 -3.80 3.58 -1.13 -0.61 116.42 112.64 1pjz h ASP 96 Ca -0.00 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 1pjz h ASP 96 Cb 0.74 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.90 1pjz h ASP 96 CO 0.00 -0.14 0.23 -0.29 -2.88 0.00 0.00 179.24 176.16 1pjz h ILE 97 N -0.92 1.20 0.00 2.25 6.09 -1.51 -3.28 117.51 121.33 1pjz h ILE 97 Ca -0.06 -0.64 0.00 0.00 -1.37 0.00 0.00 64.86 62.79 1pjz h ILE 97 Cb 0.57 0.53 0.00 0.00 0.47 0.00 0.00 36.82 38.39 1pjz h ILE 97 CO 0.10 0.25 0.00 0.61 -3.07 0.00 0.00 178.15 176.04 1pjz n GLY 98 N -1.06 -2.90 5.14 8.18 0.00 0.15 -4.65 105.19 110.05 1pjz n GLY 98 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.69 0.00 -3.85 1.61 -0.00 -0.25 -4.38 115.22 107.67 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 -0.12 0.00 -0.00 0.00 0.00 29.99 29.87 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 2.43 0.00 -3.91 0.00 0.00 -0.08 -1.78 120.51 117.17 1pjz n ALA 101 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 1pjz n ALA 101 Cb 0.58 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.71 -0.27 0.00 0.00 -0.71 0.11 121.76 118.19 1pjz s ALA 102 Ca 0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 51.96 51.39 1pjz s ALA 102 Cb 0.00 0.79 0.07 0.00 0.00 0.00 0.00 23.12 23.99 1pjz s ALA 102 CO 0.00 -1.08 0.73 -0.59 0.00 0.00 0.00 175.76 174.83 1pjz s PHE 103 N -2.09 -0.79 -0.30 0.00 -0.71 -0.34 -1.24 117.98 112.51 1pjz s PHE 103 Ca 0.24 1.90 -0.13 0.00 -1.04 0.00 0.00 56.93 57.89 1pjz s PHE 103 Cb -0.02 0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 42.04 1pjz s PHE 103 CO 0.05 -0.38 0.30 -0.47 -1.34 0.00 0.00 175.22 173.37 1pjz s TYR 104 N 0.43 3.23 -0.21 3.49 5.04 0.13 -0.66 117.35 128.80 1pjz s TYR 104 Ca -0.00 0.15 -0.13 0.00 -2.44 0.00 0.00 57.07 54.65 1pjz s TYR 104 Cb -0.05 -2.52 -0.05 0.00 0.35 0.00 0.00 41.96 39.69 1pjz s TYR 104 CO -0.00 -0.27 0.25 -0.51 -1.34 0.00 0.00 175.55 173.67 1pjz s ASP 105 N 1.71 6.29 0.59 4.32 1.11 0.11 -3.79 116.67 127.01 1pjz s ASP 105 Ca 0.11 0.33 0.01 0.00 0.18 0.00 0.00 52.55 53.17 1pjz s ASP 105 Cb -0.16 -2.15 0.06 0.00 1.07 0.00 0.00 42.92 41.73 1pjz s ASP 105 CO 0.11 0.05 0.83 0.00 1.18 0.00 0.00 175.17 177.34 1pjz s ARG 106 N 0.88 2.34 -1.02 8.23 1.70 -1.26 -0.03 118.95 129.78 1pjz s ARG 106 Ca 0.13 -0.87 -0.23 0.00 -0.47 0.00 0.00 55.73 54.28 1pjz s ARG 106 Cb -0.13 -2.45 -0.02 0.00 -0.57 0.00 0.00 34.95 31.77 1pjz s ARG 106 CO 0.04 -0.89 1.81 0.00 -1.08 0.00 0.00 175.30 175.18 1pjz s ALA 107 N -2.85 2.07 -0.00 7.88 0.00 -0.55 -4.41 121.76 123.90 1pjz s ALA 107 Ca 0.59 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1pjz s ALA 107 Cb -0.09 -4.58 -0.00 0.00 0.00 0.00 0.00 23.12 18.44 1pjz s ALA 107 CO 0.40 -4.49 -0.00 0.00 0.00 0.00 0.00 175.76 171.66 1pjz n ALA 108 N 12.41 1.99 -0.04 0.00 0.00 -1.26 -4.67 120.51 128.94 1pjz n ALA 108 Ca 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.81 1pjz n ALA 108 Cb 0.48 0.41 0.25 0.00 0.00 0.00 0.00 19.45 20.59 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 0.62 0.00 0.00 -0.00 -1.90 -0.19 114.93 113.46 1pjz h MET 109 Ca -0.01 -0.14 0.00 0.00 -0.00 0.00 0.00 59.70 59.55 1pjz h MET 109 Cb 1.01 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 32.53 1pjz h MET 109 CO -0.00 0.63 0.00 0.44 -0.00 0.00 0.00 176.91 177.98 1pjz n ILE 110 N -4.26 0.39 -0.13 -0.10 -0.00 -1.26 -2.14 119.36 111.86 1pjz n ILE 110 Ca 0.02 0.10 -0.18 0.00 -0.00 0.00 0.00 62.75 62.69 1pjz n ILE 110 Cb 0.26 -0.85 -0.12 0.00 -0.00 0.00 0.00 39.64 38.93 1pjz n ILE 110 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1pjz n ALA 111 N -1.19 1.44 -2.10 -1.28 0.00 -0.14 0.20 120.51 117.44 1pjz n ALA 111 Ca 0.09 -1.10 -0.27 0.00 0.00 0.00 0.00 53.44 52.16 1pjz n ALA 111 Cb 0.10 -0.10 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1pjz n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pjz s LEU 112 N -6.52 3.28 0.00 0.00 1.02 -0.88 -4.94 118.68 110.65 1pjz s LEU 112 Ca -0.35 0.73 0.00 0.00 0.02 0.00 0.00 54.13 54.53 1pjz s LEU 112 Cb 0.09 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.72 1pjz s LEU 112 CO 0.60 -1.01 0.00 -0.81 0.02 0.00 0.00 176.35 175.15 1pjz n PRO 113 N -2.54 1.21 -0.02 1.29 -0.04 -1.26 -4.82 135.00 128.82 1pjz n PRO 113 Ca 0.04 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1pjz n PRO 113 Cb 0.57 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.00 -0.70 0.55 0.00 -1.98 -2.72 119.26 112.41 1pjz h ALA 114 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1pjz h ALA 114 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1pjz h ALA 114 CO 0.00 0.00 -0.41 -3.47 0.00 0.00 0.00 179.25 175.37 1pjz n ASP 115 N -3.11 -0.74 -0.30 0.00 2.03 -1.26 0.15 116.55 113.32 1pjz n ASP 115 Ca -0.00 1.53 0.17 0.00 0.52 0.00 0.00 54.79 57.01 1pjz n ASP 115 Cb 0.00 -0.31 0.42 0.00 -0.72 0.00 0.00 41.12 40.52 1pjz n ASP 115 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1pjz h MET 116 N 0.00 0.56 0.71 -0.67 4.05 -1.96 -1.45 114.93 116.17 1pjz h MET 116 Ca 0.11 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.47 1pjz h MET 116 Cb 0.29 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1pjz h MET 116 CO -0.66 0.37 -0.43 -0.09 0.23 0.00 0.00 176.91 176.33 1pjz h ARG 117 N 0.58 -1.03 -1.01 0.39 9.65 0.18 0.51 114.38 123.65 1pjz h ARG 117 Ca 0.53 0.07 0.22 0.00 -1.10 0.00 0.00 59.98 59.70 1pjz h ARG 117 Cb 1.07 0.23 -0.11 0.00 -1.39 0.00 0.00 29.97 29.77 1pjz h ARG 117 CO -0.28 -0.69 0.61 0.93 2.80 0.00 0.00 179.97 183.35 1pjz h GLU 118 N -1.07 0.62 0.00 0.20 5.08 -0.14 1.11 114.58 120.39 1pjz h GLU 118 Ca -0.10 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1pjz h GLU 118 Cb 0.85 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1pjz h GLU 118 CO 0.10 0.41 -0.38 0.00 -1.00 0.00 0.00 179.01 178.13 1pjz h ARG 119 N 0.63 0.00 0.09 2.33 2.47 -0.82 -1.13 114.38 117.94 1pjz h ARG 119 Ca 0.61 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.33 1pjz h ARG 119 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 1pjz h ARG 119 CO -0.41 0.38 -0.04 -0.92 0.56 0.00 0.00 179.97 179.54 1pjz h TYR 120 N 0.00 -0.11 -0.71 3.04 5.03 0.62 -0.57 116.97 124.27 1pjz h TYR 120 Ca -0.00 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.37 1pjz h TYR 120 Cb 0.89 0.04 -0.06 0.00 1.55 0.00 0.00 36.73 39.15 1pjz h TYR 120 CO 0.00 0.12 0.40 -0.39 -1.32 0.00 0.00 178.16 176.97 1pjz h VAL 121 N -1.01 0.96 -0.09 1.81 -1.51 -0.36 0.40 116.25 116.46 1pjz h VAL 121 Ca -0.01 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 65.20 1pjz h VAL 121 Cb 0.28 0.18 -0.00 0.00 -2.13 0.00 0.00 31.29 29.62 1pjz h VAL 121 CO 0.02 0.13 0.01 0.06 -1.23 0.00 0.00 177.57 176.57 1pjz h GLN 122 N 0.72 0.14 -0.89 5.19 3.07 -1.32 0.17 115.11 122.19 1pjz h GLN 122 Ca 0.32 -0.04 0.06 0.00 0.09 0.00 0.00 58.65 59.09 1pjz h GLN 122 Cb 0.22 -0.02 -0.06 0.00 0.08 0.00 0.00 27.48 27.70 1pjz h GLN 122 CO -0.20 0.35 0.58 0.45 0.09 0.00 0.00 178.83 180.11 1pjz h HIS 123 N -0.09 1.03 0.31 0.06 3.86 -0.43 0.26 115.15 120.15 1pjz h HIS 123 Ca 0.03 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1pjz h HIS 123 Cb 0.28 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1pjz h HIS 123 CO 0.01 0.54 -0.15 1.25 0.86 0.00 0.00 177.93 180.45 1pjz h LEU 124 N 1.02 -0.36 -1.61 2.43 7.12 0.05 -1.22 115.31 122.74 1pjz h LEU 124 Ca 0.38 0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.41 1pjz h LEU 124 Cb 0.19 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.41 1pjz h LEU 124 CO -0.14 -0.16 0.47 1.05 -0.13 0.00 0.00 178.44 179.53 1pjz h GLU 125 N -0.62 0.00 0.07 1.25 -0.00 -0.50 2.07 114.58 116.85 1pjz h GLU 125 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.31 1pjz h GLU 125 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.07 1pjz h GLU 125 CO 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 179.01 179.05 1pjz h ALA 126 N 1.08 -0.10 -0.16 1.06 0.00 -0.27 -3.25 119.26 117.62 1pjz h ALA 126 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1pjz h ALA 126 Cb 0.95 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1pjz h ALA 126 CO -0.00 -0.14 0.00 1.47 0.00 0.00 0.00 179.25 180.58 1pjz n LEU 127 N -4.79 1.29 -4.72 0.00 -0.00 0.50 -4.90 117.00 104.38 1pjz n LEU 127 Ca -0.07 -0.56 -0.29 0.00 -0.00 0.00 0.00 56.01 55.09 1pjz n LEU 127 Cb 0.27 -0.10 0.19 0.00 -0.00 0.00 0.00 43.42 43.78 1pjz n LEU 127 CO 0.22 0.28 0.70 -0.04 -0.00 0.00 0.00 177.39 178.55 1pjz s MET 128 N -1.80 0.02 0.00 1.47 -1.94 0.67 0.40 119.30 118.13 1pjz s MET 128 Ca 0.28 0.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.32 1pjz s MET 128 Cb 0.15 -1.73 0.00 0.00 2.01 0.00 0.00 34.83 35.26 1pjz s MET 128 CO 0.22 -2.91 0.00 -0.35 -0.01 0.00 0.00 175.02 171.97 1pjz n PRO 129 N -4.21 0.65 -0.10 2.03 -0.04 -1.24 -3.98 135.00 128.10 1pjz n PRO 129 Ca 0.10 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 1pjz n PRO 129 Cb 0.59 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.29 0.46 -3.56 0.54 7.27 0.14 -4.86 117.38 117.08 1pjz n GLN 130 Ca 0.00 0.16 -0.29 0.00 0.07 0.00 0.00 57.00 56.94 1pjz n GLN 130 Cb 0.00 -1.30 -0.14 0.00 2.41 0.00 0.00 30.24 31.20 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pjz s ALA 131 N -2.38 0.83 0.05 1.69 0.00 -0.68 -4.22 121.76 117.06 1pjz s ALA 131 Ca -0.28 -1.34 -0.10 0.00 0.00 0.00 0.00 51.96 50.24 1pjz s ALA 131 Cb 0.09 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.75 1pjz s ALA 131 CO 0.40 -1.74 0.21 0.00 0.00 0.00 0.00 175.76 174.63 1pjz s SER 133 N -2.30 6.01 0.27 0.00 1.04 0.12 0.46 113.70 119.30 1pjz s SER 133 Ca -0.02 -1.14 -0.12 0.00 0.48 0.00 0.00 55.95 55.15 1pjz s SER 133 Cb 0.01 -2.13 -0.08 0.00 0.10 0.00 0.00 66.02 63.92 1pjz s SER 133 CO -0.06 -0.52 0.63 -0.83 0.98 0.00 0.00 173.24 173.44 1pjz s GLY 134 N 2.05 2.31 -0.26 7.32 0.00 0.19 -1.20 107.32 117.72 1pjz s GLY 134 Ca 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 44.72 44.59 1pjz s GLY 134 CO 0.07 0.04 0.12 -2.27 0.00 0.00 0.00 173.10 171.06 1pjz s LEU 135 N -2.89 0.53 0.22 0.66 2.96 0.16 -0.26 118.68 120.07 1pjz s LEU 135 Ca 0.50 -1.11 -0.23 0.00 -0.22 0.00 0.00 54.13 53.07 1pjz s LEU 135 Cb -0.11 -0.34 -0.08 0.00 0.50 0.00 0.00 46.19 46.16 1pjz s LEU 135 CO 0.19 -0.41 0.79 -0.22 -1.32 0.00 0.00 176.35 175.39 1pjz s LEU 136 N 2.10 4.45 -0.37 -0.68 2.96 0.29 0.08 118.68 127.51 1pjz s LEU 136 Ca 0.07 1.61 0.01 0.00 -0.22 0.00 0.00 54.13 55.59 1pjz s LEU 136 Cb -0.16 -3.55 0.12 0.00 0.50 0.00 0.00 46.19 43.10 1pjz s LEU 136 CO -0.29 0.09 0.16 -0.63 -1.32 0.00 0.00 176.35 174.36 1pjz s ILE 137 N -1.38 1.15 0.43 6.68 -1.09 0.95 -1.10 121.20 126.84 1pjz s ILE 137 Ca 0.41 -1.97 0.08 0.00 -2.23 0.00 0.00 60.65 56.94 1pjz s ILE 137 Cb -0.20 -1.84 -0.00 0.00 -1.58 0.00 0.00 42.46 38.84 1pjz s ILE 137 CO 0.24 -0.78 0.47 0.42 -1.23 0.00 0.00 174.94 174.06 1pjz s THR 138 N 1.00 2.73 0.31 2.92 -4.23 0.16 -1.48 115.64 117.05 1pjz s THR 138 Ca 0.14 -1.20 0.06 0.00 -1.18 0.00 0.00 61.69 59.50 1pjz s THR 138 Cb -0.21 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 1pjz s THR 138 CO -0.12 0.00 0.25 -0.76 -0.54 0.00 0.00 174.62 173.45 1pjz s LEU 139 N -4.24 1.66 0.00 4.79 1.02 -1.26 -0.19 118.68 120.46 1pjz s LEU 139 Ca 0.51 -1.70 0.00 0.00 0.02 0.00 0.00 54.13 52.96 1pjz s LEU 139 Cb -0.06 0.51 0.00 0.00 0.02 0.00 0.00 46.19 46.66 1pjz s LEU 139 CO 0.30 -1.02 0.00 1.21 0.02 0.00 0.00 176.35 176.86 1pjz n GLU 140 N -0.57 0.00 0.00 1.70 0.00 -0.00 -3.28 120.64 118.48 1pjz n GLU 140 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1pjz n GLU 140 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.07 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 -0.82 0.00 -0.44 4.31 4.02 -1.26 -4.41 117.16 118.56 1pjz n TYR 141 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 1pjz n TYR 141 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 1pjz n TYR 141 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1pjz n ASP 142 N -0.41 -0.35 0.00 7.72 5.68 -1.26 -4.65 116.55 123.28 1pjz n ASP 142 Ca 0.00 0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.64 1pjz n ASP 142 Cb 0.00 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 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 0.33 0.00 -2.30 0.11 10.64 -1.26 -4.00 117.38 120.89 1pjz n GLN 143 Ca 0.06 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.96 1pjz n GLN 143 Cb 0.07 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.46 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 5.16 0.00 2.61 0.00 -1.26 -4.24 120.51 122.78 1pjz n ALA 144 Ca 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.29 1pjz n ALA 144 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.56 0.00 -4.72 0.00 -0.00 -1.26 -5.12 117.00 105.34 1pjz n LEU 145 Ca 0.42 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 56.04 1pjz n LEU 145 Cb 0.72 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 44.09 1pjz n LEU 145 CO 0.37 0.00 0.27 -0.22 -0.00 0.00 0.00 177.39 177.80 1pjz s LEU 146 N 0.00 4.29 -0.49 1.47 2.96 -1.26 -4.79 118.68 120.87 1pjz s LEU 146 Ca 0.00 0.97 -0.43 0.00 -0.22 0.00 0.00 54.13 54.45 1pjz s LEU 146 Cb 0.00 -2.86 -0.18 0.00 0.50 0.00 0.00 46.19 43.65 1pjz s LEU 146 CO 0.00 -0.05 2.12 -0.62 -1.32 0.00 0.00 176.35 176.48 1pjz n GLU 147 N 3.70 0.08 -0.70 1.98 -0.58 -1.26 -4.15 120.64 119.70 1pjz n GLU 147 Ca -0.05 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1pjz n GLU 147 Cb 0.51 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1pjz n GLU 147 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pjz n GLY 148 N 7.27 -3.93 3.66 0.62 0.00 -1.26 -4.87 105.19 106.68 1pjz n GLY 148 Ca 0.53 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1pjz n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pjz s PRO 149 N -3.58 4.19 0.25 1.61 0.04 -1.26 -4.72 135.00 131.54 1pjz s PRO 149 Ca 0.00 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 1pjz s PRO 149 Cb 0.00 -3.79 -0.09 0.00 0.04 0.00 0.00 34.50 30.66 1pjz s PRO 149 CO 0.00 -0.76 1.09 -1.25 0.04 0.00 0.00 177.00 176.11 1pjz s PRO 150 N 3.61 4.64 -0.15 0.56 0.04 -1.25 -4.51 135.00 137.93 1pjz s PRO 150 Ca 0.56 1.76 0.11 0.00 0.04 0.00 0.00 61.00 63.47 1pjz s PRO 150 Cb -0.21 -3.22 0.58 0.00 0.04 0.00 0.00 34.50 31.69 1pjz s PRO 150 CO 0.16 0.20 1.40 1.19 0.04 0.00 0.00 177.00 179.99 1pjz n PHE 151 N 1.50 1.43 -4.12 0.56 3.72 0.54 -4.89 117.46 116.19 1pjz n PHE 151 Ca -0.00 -0.51 -0.32 0.00 -0.05 0.00 0.00 57.45 56.57 1pjz n PHE 151 Cb 0.45 -0.36 -0.06 0.00 -0.94 0.00 0.00 39.48 38.57 1pjz n PHE 151 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1pjz n SER 152 N 0.52 -0.43 -4.01 4.37 3.41 -1.21 -4.55 113.62 111.73 1pjz n SER 152 Ca 0.20 -1.17 -0.57 0.00 -0.26 0.00 0.00 58.87 57.07 1pjz n SER 152 Cb 0.89 -1.43 -0.09 0.00 -0.26 0.00 0.00 64.21 63.31 1pjz n SER 152 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1pjz n VAL 153 N -4.38 0.00 -2.36 -3.33 3.14 -1.26 -4.77 118.33 105.36 1pjz n VAL 153 Ca -0.24 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.71 1pjz n VAL 153 Cb 0.60 -0.44 -0.02 0.00 -1.06 0.00 0.00 33.84 32.92 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 3.57 3.75 0.22 1.45 0.04 -1.26 -4.88 135.00 137.90 1pjz s PRO 154 Ca 0.97 1.15 0.05 0.00 0.04 0.00 0.00 61.00 63.20 1pjz s PRO 154 Cb -1.32 -3.96 0.62 0.00 0.04 0.00 0.00 34.50 29.88 1pjz s PRO 154 CO 0.67 -1.33 1.05 0.00 0.04 0.00 0.00 177.00 177.42 1pjz n GLN 155 N 7.68 -0.05 -0.34 4.56 10.64 -1.26 0.33 117.38 138.94 1pjz n GLN 155 Ca 0.16 0.98 0.25 0.00 -1.83 0.00 0.00 57.00 56.55 1pjz n GLN 155 Cb 0.47 -1.60 0.49 0.00 -0.86 0.00 0.00 30.24 28.74 1pjz n GLN 155 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pjz h THR 156 N 0.00 0.28 -0.50 -0.39 1.03 -1.98 1.66 112.91 113.01 1pjz h THR 156 Ca 0.45 -0.10 -0.07 0.00 -0.01 0.00 0.00 66.41 66.67 1pjz h THR 156 Cb 1.02 -0.04 -0.02 0.00 -1.07 0.00 0.00 68.15 68.03 1pjz h THR 156 CO -0.60 0.05 0.03 -0.25 -0.01 0.00 0.00 175.52 174.75 1pjz h TRP 157 N 0.30 0.93 -0.87 0.00 7.01 0.50 0.46 115.95 124.28 1pjz h TRP 157 Ca 0.74 -0.15 0.06 0.00 2.11 0.00 0.00 58.89 61.66 1pjz h TRP 157 Cb 1.74 -0.25 -0.06 0.00 -2.10 0.00 0.00 29.16 28.49 1pjz h TRP 157 CO -0.01 0.86 0.54 -0.07 -2.79 0.00 0.00 178.44 176.98 1pjz h LEU 158 N 0.73 0.85 -0.07 0.65 4.07 0.24 0.54 115.31 122.33 1pjz h LEU 158 Ca 0.15 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1pjz h LEU 158 Cb 0.47 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1pjz h LEU 158 CO 0.02 0.54 0.00 -0.74 -1.08 0.00 0.00 178.44 177.18 1pjz h HIS 159 N 0.98 0.00 0.14 1.13 -0.00 -0.46 0.47 115.15 117.42 1pjz h HIS 159 Ca 0.38 0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 60.46 1pjz h HIS 159 Cb 0.18 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 27.61 1pjz h HIS 159 CO -0.03 0.00 -1.26 0.07 -0.00 0.00 0.00 177.93 176.71 1pjz h ARG 160 N 0.00 0.48 0.00 5.26 0.11 0.30 -3.33 114.38 117.19 1pjz h ARG 160 Ca 0.00 -0.70 0.00 0.00 0.10 0.00 0.00 59.98 59.38 1pjz h ARG 160 Cb 0.90 0.24 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1pjz h ARG 160 CO 0.00 1.31 0.00 1.55 0.10 0.00 0.00 179.97 182.93 1pjz n VAL 161 N -3.70 0.00 -0.59 0.08 3.14 0.16 -4.66 118.33 112.76 1pjz n VAL 161 Ca -0.12 0.12 0.45 0.00 -2.96 0.00 0.00 64.34 61.84 1pjz n VAL 161 Cb 1.01 -1.10 0.70 0.00 -1.06 0.00 0.00 33.84 33.39 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 -2.41 0.00 -1.54 1.45 2.81 0.13 -4.18 117.12 113.38 1pjz n MET 162 Ca 0.00 0.97 -0.35 0.00 -1.81 0.00 0.00 57.70 56.51 1pjz n MET 162 Cb 0.00 -2.26 -0.07 0.00 -0.71 0.00 0.00 33.22 30.18 1pjz n MET 162 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pjz n SER 163 N -3.64 1.58 0.19 7.83 2.88 0.80 -4.14 113.62 119.12 1pjz n SER 163 Ca 0.38 -0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1pjz n SER 163 Cb 1.77 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1pjz n SER 163 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pjz n GLY 164 N 6.19 -1.32 1.46 0.46 0.00 -1.26 -4.97 105.19 105.75 1pjz n GLY 164 Ca 0.47 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 -3.34 0.17 -4.55 1.61 3.02 -1.26 -4.98 115.26 105.93 1pjz n ASN 165 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 1pjz n ASN 165 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.90 2.17 -0.65 3.10 -2.14 -1.24 -1.60 118.94 116.68 1pjz s TRP 166 Ca 0.00 0.03 -0.26 0.00 2.66 0.00 0.00 56.10 58.53 1pjz s TRP 166 Cb 0.00 -4.50 -0.08 0.00 -3.10 0.00 0.00 33.47 25.79 1pjz s TRP 166 CO 0.00 -2.09 2.26 -1.21 -2.66 0.00 0.00 176.95 173.25 1pjz s GLU 167 N 5.95 2.09 0.04 3.25 0.41 0.02 -4.42 118.70 126.04 1pjz s GLU 167 Ca 0.45 0.78 -0.30 0.00 -0.41 0.00 0.00 54.97 55.48 1pjz s GLU 167 Cb -0.08 -4.67 -0.06 0.00 -1.78 0.00 0.00 34.13 27.54 1pjz s GLU 167 CO 0.12 -3.56 1.40 0.14 -0.49 0.00 0.00 175.26 172.87 1pjz s VAL 168 N 12.20 3.60 0.16 2.63 -7.23 -1.25 -1.17 120.40 129.35 1pjz s VAL 168 Ca 0.87 1.05 0.09 0.00 -1.81 0.00 0.00 61.98 62.19 1pjz s VAL 168 Cb -0.14 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.09 1pjz s VAL 168 CO 0.16 0.02 -0.21 0.28 -0.31 0.00 0.00 175.10 175.05 1pjz s THR 169 N 2.00 1.98 0.22 5.32 -1.32 0.16 -4.89 115.64 119.12 1pjz s THR 169 Ca 0.64 -1.90 -0.30 0.00 -1.21 0.00 0.00 61.69 58.92 1pjz s THR 169 Cb -0.33 -1.90 -0.09 0.00 -1.51 0.00 0.00 72.50 68.68 1pjz s THR 169 CO 0.28 -0.21 1.20 -0.75 -2.21 0.00 0.00 174.62 172.92 1pjz s LYS 170 N -2.62 4.50 0.13 7.08 2.36 -1.26 -0.48 119.74 129.45 1pjz s LYS 170 Ca 0.16 1.91 -0.18 0.00 -2.55 0.00 0.00 55.97 55.31 1pjz s LYS 170 Cb -0.07 -3.21 0.05 0.00 -1.05 0.00 0.00 37.83 33.55 1pjz s LYS 170 CO 0.07 -0.04 0.46 0.08 1.55 0.00 0.00 175.35 177.47 1pjz s VAL 171 N -0.39 0.05 0.00 4.02 1.01 0.13 -4.68 120.40 120.54 1pjz s VAL 171 Ca 0.51 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1pjz s VAL 171 Cb -0.33 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1pjz s VAL 171 CO 0.39 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1pjz n GLY 172 N -0.26 0.95 0.00 4.51 0.00 -1.26 -0.62 105.19 108.51 1pjz n GLY 172 Ca -0.16 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 1.43 2.67 -0.02 0.00 0.21 -4.61 105.19 104.87 1pjz n GLY 173 Ca 0.00 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 1pjz n GLY 173 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pjz n GLN 174 N 0.00 0.00 -1.11 1.61 3.00 -1.24 -0.82 117.38 118.82 1pjz n GLN 174 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1pjz n GLN 174 Cb 0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 30.24 29.35 1pjz n GLN 174 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1pjz n ASP 175 N 1.94 2.12 -4.08 1.08 5.75 -1.25 -2.71 116.55 119.40 1pjz n ASP 175 Ca 0.08 -2.62 -0.43 0.00 -0.01 0.00 0.00 54.79 51.81 1pjz n ASP 175 Cb 0.34 -1.06 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 1pjz n ASP 175 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1pjz n THR 176 N 6.64 4.31 -0.36 2.12 5.66 -1.21 -4.12 114.28 127.32 1pjz n THR 176 Ca 0.48 -4.50 0.06 0.00 -3.05 0.00 0.00 64.05 57.04 1pjz n THR 176 Cb 0.42 -2.40 0.23 0.00 -1.55 0.00 0.00 70.33 67.03 1pjz n THR 176 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 1pjz h LEU 177 N 8.56 0.95 -2.06 1.09 8.10 -1.86 0.46 115.31 130.55 1pjz h LEU 177 Ca 0.37 0.04 0.03 0.00 0.11 0.00 0.00 57.88 58.43 1pjz h LEU 177 Cb 0.71 -0.16 -0.00 0.00 -0.44 0.00 0.00 40.66 40.77 1pjz h LEU 177 CO 1.50 0.54 0.33 1.12 -4.11 0.00 0.00 178.44 177.82 1pjz h HIS 178 N 1.04 0.00 0.08 0.17 2.07 -1.95 -2.32 115.15 114.23 1pjz h HIS 178 Ca 0.47 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.99 1pjz h HIS 178 Cb 0.40 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.38 1pjz h HIS 178 CO -0.00 0.00 -0.04 1.03 -3.07 0.00 0.00 177.93 175.85 1pjz h SER 179 N 0.00 -0.09 -3.56 3.10 0.87 -0.41 -3.44 113.55 110.03 1pjz h SER 179 Ca 0.05 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.10 1pjz h SER 179 Cb 0.72 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 1pjz h SER 179 CO -0.00 -0.03 0.27 -0.94 -0.53 0.00 0.00 176.83 175.61 1pjz s SER 180 N -2.83 7.44 0.31 6.23 1.04 -0.87 -4.07 113.70 120.95 1pjz s SER 180 Ca -0.02 1.71 0.13 0.00 0.48 0.00 0.00 55.95 58.25 1pjz s SER 180 Cb 0.00 -2.55 0.48 0.00 0.10 0.00 0.00 66.02 64.06 1pjz s SER 180 CO 0.05 0.05 1.67 0.00 0.98 0.00 0.00 173.24 175.99 1pjz h ALA 181 N 5.09 1.04 -0.33 5.32 0.00 -1.86 -2.87 119.26 125.64 1pjz h ALA 181 Ca -0.44 -0.48 0.10 0.00 0.00 0.00 0.00 54.91 54.08 1pjz h ALA 181 Cb 1.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1pjz h ALA 181 CO 0.70 0.66 0.71 0.00 0.00 0.00 0.00 179.25 181.32 1pjz h ARG 182 N 0.00 0.00 0.65 0.00 2.47 -1.92 0.83 114.38 116.41 1pjz h ARG 182 Ca -0.01 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1pjz h ARG 182 Cb 0.99 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.32 1pjz h ARG 182 CO 0.07 0.00 -0.31 0.78 0.56 0.00 0.00 179.97 181.07 1pjz h GLY 183 N 0.00 -0.91 2.00 0.04 0.00 -1.75 -1.23 103.07 101.22 1pjz h GLY 183 Ca 0.16 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1pjz h GLY 183 CO -0.00 -0.33 0.00 1.41 0.00 0.00 0.00 176.54 177.62 1pjz h LEU 184 N -1.08 0.00 0.42 3.11 -0.00 -1.23 1.83 115.31 118.36 1pjz h LEU 184 Ca -0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.77 1pjz h LEU 184 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1pjz h LEU 184 CO 0.15 0.00 -0.20 0.50 -0.00 0.00 0.00 178.44 178.89 1pjz h LYS 185 N 0.00 -0.54 0.00 1.13 3.64 -0.77 -3.32 116.57 116.71 1pjz h LYS 185 Ca 0.00 0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.21 1pjz h LYS 185 Cb 0.40 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1pjz h LYS 185 CO 0.00 -0.36 -1.05 0.00 -2.27 0.00 0.00 179.45 175.77 1pjz h ALA 186 N -1.53 0.44 -1.04 5.00 0.00 -1.17 -3.49 119.26 117.47 1pjz h ALA 186 Ca -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1pjz h ALA 186 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1pjz h ALA 186 CO 0.09 1.23 0.00 0.41 0.00 0.00 0.00 179.25 180.98 1pjz n GLY 187 N 1.37 0.34 0.09 0.00 0.00 0.60 -4.88 105.19 102.70 1pjz n GLY 187 Ca -0.02 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 1pjz n GLY 187 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pjz h LEU 188 N 0.00 0.00 0.00 0.99 -0.00 -1.17 -3.48 115.31 111.65 1pjz h LEU 188 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1pjz h LEU 188 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1pjz h LEU 188 CO 0.00 1.24 0.00 -1.84 -0.00 0.00 0.00 178.44 177.84 1pjz n GLU 189 N -4.50 0.00 0.00 1.13 -0.00 -1.26 -4.79 120.64 111.22 1pjz n GLU 189 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.93 1pjz n GLU 189 Cb 0.54 -1.99 0.00 0.00 -0.00 0.00 0.00 31.44 29.99 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 -2.00 0.00 -3.77 3.44 1.74 -1.26 -5.00 116.66 109.80 1pjz n ARG 190 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1pjz n ARG 190 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 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 -0.01 0.38 0.24 5.56 0.23 -1.26 -4.86 119.30 119.58 1pjz s MET 191 Ca 0.00 0.34 -0.31 0.00 -1.03 0.00 0.00 55.69 54.69 1pjz s MET 191 Cb 0.00 0.18 -0.12 0.00 -1.53 0.00 0.00 34.83 33.36 1pjz s MET 191 CO 0.00 -0.06 1.61 -0.25 -2.03 0.00 0.00 175.02 174.30 1pjz n ASP 192 N 2.72 3.68 -3.88 -1.18 8.00 -1.26 -3.32 116.55 121.31 1pjz n ASP 192 Ca -0.14 1.11 -0.28 0.00 0.71 0.00 0.00 54.79 56.19 1pjz n ASP 192 Cb 0.58 -1.55 -0.17 0.00 -0.02 0.00 0.00 41.12 39.96 1pjz n ASP 192 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1pjz s GLU 193 N 0.24 1.37 -0.22 -1.24 2.12 -0.00 -0.82 118.70 120.15 1pjz s GLU 193 Ca 0.70 -0.44 -0.06 0.00 0.36 0.00 0.00 54.97 55.53 1pjz s GLU 193 Cb -0.54 -1.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 1pjz s GLU 193 CO 0.42 -0.41 0.03 -1.01 -0.54 0.00 0.00 175.26 173.75 1pjz s HIS 194 N 1.67 3.07 0.29 5.30 3.76 0.73 0.65 115.29 130.77 1pjz s HIS 194 Ca 0.02 -0.41 0.09 0.00 -0.15 0.00 0.00 55.06 54.61 1pjz s HIS 194 Cb -0.15 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.35 1pjz s HIS 194 CO -0.08 -0.26 0.03 0.08 -0.85 0.00 0.00 174.74 173.66 1pjz s VAL 195 N 1.20 3.25 -0.07 -0.90 1.01 0.21 0.37 120.40 125.48 1pjz s VAL 195 Ca 0.04 -1.88 -0.17 0.00 0.00 0.00 0.00 61.98 59.97 1pjz s VAL 195 Cb -0.14 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 33.41 1pjz s VAL 195 CO 0.02 -0.31 0.40 -0.31 0.00 0.00 0.00 175.10 174.90 1pjz s TYR 196 N -2.37 -0.34 -0.42 5.22 2.02 -0.26 0.22 117.35 121.42 1pjz s TYR 196 Ca 0.33 0.67 -0.09 0.00 -0.37 0.00 0.00 57.07 57.60 1pjz s TYR 196 Cb -0.05 0.16 0.08 0.00 -0.40 0.00 0.00 41.96 41.75 1pjz s TYR 196 CO 0.20 -0.36 0.26 0.08 -1.57 0.00 0.00 175.55 174.16 1pjz s VAL 197 N -0.80 4.28 -0.55 0.71 1.01 0.36 -0.55 120.40 124.86 1pjz s VAL 197 Ca -0.09 -1.36 -0.16 0.00 0.00 0.00 0.00 61.98 60.37 1pjz s VAL 197 Cb -0.04 -3.61 0.13 0.00 0.00 0.00 0.00 36.38 32.87 1pjz s VAL 197 CO 0.04 -0.50 0.51 -1.48 0.00 0.00 0.00 175.10 173.67 1pjz s LEU 198 N 1.44 6.21 -0.83 3.92 2.34 0.64 0.38 118.68 132.77 1pjz s LEU 198 Ca 0.03 -1.83 -0.25 0.00 0.06 0.00 0.00 54.13 52.14 1pjz s LEU 198 Cb -0.23 -2.21 0.01 0.00 -0.56 0.00 0.00 46.19 43.20 1pjz s LEU 198 CO 0.02 -0.85 1.57 -1.61 -1.06 0.00 0.00 176.35 174.43 1pjz s GLU 199 N 1.54 3.08 -0.89 1.48 0.41 -0.31 0.53 118.70 124.54 1pjz s GLU 199 Ca 0.04 -0.36 -0.25 0.00 -0.41 0.00 0.00 54.97 53.98 1pjz s GLU 199 Cb -0.29 -4.75 -0.12 0.00 -1.78 0.00 0.00 34.13 27.19 1pjz s GLU 199 CO 0.03 -2.51 2.21 0.50 -0.49 0.00 0.00 175.26 174.99 1pjz s ARG 200 N 6.00 1.85 0.00 1.61 3.52 0.17 -0.80 118.95 131.31 1pjz s ARG 200 Ca 0.51 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 1pjz s ARG 200 Cb -0.06 -4.92 0.00 0.00 -1.56 0.00 0.00 34.95 28.41 1pjz s ARG 200 CO 0.05 -4.29 0.46 1.33 -0.81 0.00 0.00 175.30 172.04