#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 2.69 0.18 1.57 3.00 -1.26 -4.50 117.38 119.05 1pjz n GLN 2 Ca 0.00 -1.76 -0.09 0.00 -0.01 0.00 0.00 57.00 55.14 1pjz n GLN 2 Cb 0.00 -2.26 -0.05 0.00 0.00 0.00 0.00 30.24 27.94 1pjz n GLN 2 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1pjz h SER 3 N 3.57 -0.45 -2.43 1.08 0.87 -2.04 -3.42 113.55 110.74 1pjz h SER 3 Ca 0.43 -0.03 -0.57 0.00 -1.23 0.00 0.00 61.79 60.39 1pjz h SER 3 Cb 0.98 0.12 -0.38 0.00 -0.44 0.00 0.00 62.40 62.68 1pjz h SER 3 CO 0.81 -0.01 -0.91 -1.83 -0.53 0.00 0.00 176.83 174.36 1pjz s GLU 4 N -3.42 0.74 -0.52 2.24 -1.05 -1.26 -5.03 118.70 110.39 1pjz s GLU 4 Ca -0.09 -1.72 0.05 0.00 -0.15 0.00 0.00 54.97 53.06 1pjz s GLU 4 Cb 0.01 -1.32 0.18 0.00 -0.44 0.00 0.00 34.13 32.56 1pjz s GLU 4 CO 0.28 -1.31 0.43 1.55 0.95 0.00 0.00 175.26 177.17 1pjz n VAL 5 N 3.41 0.01 -2.34 1.83 3.14 -1.26 -4.82 118.33 118.29 1pjz n VAL 5 Ca 0.21 -4.07 0.00 0.00 -2.96 0.00 0.00 64.34 57.52 1pjz n VAL 5 Cb 0.43 -1.89 0.00 0.00 -1.06 0.00 0.00 33.84 31.33 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 2.30 -4.98 -0.34 6.55 3.02 -1.08 -3.39 115.26 117.35 1pjz n ASN 6 Ca 0.26 0.44 0.27 0.00 -0.03 0.00 0.00 54.58 55.51 1pjz n ASN 6 Cb 0.44 -1.11 0.51 0.00 -0.61 0.00 0.00 39.78 39.01 1pjz n ASN 6 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1pjz h LYS 7 N 3.36 0.23 0.24 3.52 3.11 -1.94 0.70 116.57 125.78 1pjz h LYS 7 Ca 0.00 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1pjz h LYS 7 Cb 0.44 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 1pjz h LYS 7 CO 0.00 0.15 -0.11 -0.44 -2.81 0.00 0.00 179.45 176.24 1pjz h ASP 8 N 0.24 -0.27 -0.05 4.20 3.32 -1.97 0.40 116.42 122.30 1pjz h ASP 8 Ca 0.77 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.70 1pjz h ASP 8 Cb 1.86 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 41.46 1pjz h ASP 8 CO -0.63 -0.03 -0.23 0.25 -1.72 0.00 0.00 179.24 176.89 1pjz h LEU 9 N -0.51 -0.72 -2.01 1.55 7.12 0.11 1.52 115.31 122.37 1pjz h LEU 9 Ca -0.03 0.08 0.12 0.00 0.13 0.00 0.00 57.88 58.18 1pjz h LEU 9 Cb 0.38 0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.77 1pjz h LEU 9 CO 0.05 -0.20 0.30 0.06 -0.13 0.00 0.00 178.44 178.52 1pjz h GLN 10 N -0.25 0.00 0.00 1.25 3.07 -1.11 0.32 115.11 118.40 1pjz h GLN 10 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1pjz h GLN 10 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1pjz h GLN 10 CO -0.18 0.00 0.00 0.94 0.09 0.00 0.00 178.83 179.68 1pjz n GLN 11 N -4.35 0.00 -0.32 0.06 -0.06 0.14 -0.48 117.38 112.37 1pjz n GLN 11 Ca 0.07 0.01 0.21 0.00 -2.00 0.00 0.00 57.00 55.29 1pjz n GLN 11 Cb 0.50 -0.68 0.43 0.00 -4.06 0.00 0.00 30.24 26.42 1pjz n GLN 11 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 1pjz h TYR 12 N 0.00 0.68 -0.32 3.69 0.05 0.20 1.16 116.97 122.43 1pjz h TYR 12 Ca 0.00 0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 1pjz h TYR 12 Cb 0.00 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 1pjz h TYR 12 CO 0.00 -0.25 0.01 2.35 -1.05 0.00 0.00 178.16 179.22 1pjz h TRP 13 N 0.22 0.61 -0.30 4.88 2.91 -0.47 1.47 115.95 125.27 1pjz h TRP 13 Ca 0.69 -0.10 0.09 0.00 1.13 0.00 0.00 58.89 60.70 1pjz h TRP 13 Cb 1.57 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 30.05 1pjz h TRP 13 CO -0.12 0.67 0.22 1.03 -1.03 0.00 0.00 178.44 179.22 1pjz h SER 14 N 0.36 0.00 0.12 2.65 0.87 0.39 0.18 113.55 118.13 1pjz h SER 14 Ca 0.09 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.29 1pjz h SER 14 Cb 0.43 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1pjz h SER 14 CO 0.01 0.00 -1.99 -0.24 -0.53 0.00 0.00 176.83 174.08 1pjz n SER 15 N -4.36 2.12 -0.34 6.23 2.88 0.37 -4.10 113.62 116.42 1pjz n SER 15 Ca 0.04 0.21 0.03 0.00 -1.33 0.00 0.00 58.87 57.82 1pjz n SER 15 Cb 0.39 -0.86 0.18 0.00 -0.75 0.00 0.00 64.21 63.16 1pjz n SER 15 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1pjz h LEU 16 N 0.06 0.89 -1.28 2.46 3.38 0.30 -3.45 115.31 117.66 1pjz h LEU 16 Ca -0.43 0.03 -0.61 0.00 0.09 0.00 0.00 57.88 56.96 1pjz h LEU 16 Cb 2.02 -0.15 -0.34 0.00 0.09 0.00 0.00 40.66 42.28 1pjz h LEU 16 CO 0.08 0.53 -0.90 -3.20 0.09 0.00 0.00 178.44 175.04 1pjz n ASN 17 N -4.61 -1.81 -4.38 -0.43 5.15 0.54 -4.79 115.26 104.92 1pjz n ASN 17 Ca 0.15 -1.21 -0.36 0.00 -0.60 0.00 0.00 54.58 52.57 1pjz n ASN 17 Cb 0.24 -1.81 0.07 0.00 -0.53 0.00 0.00 39.78 37.76 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 -4.16 1.01 -0.90 3.44 3.14 -1.26 -4.73 118.33 114.86 1pjz n VAL 18 Ca 0.07 -0.37 -0.30 0.00 -2.96 0.00 0.00 64.34 60.78 1pjz n VAL 18 Cb 0.48 -0.57 -0.01 0.00 -1.06 0.00 0.00 33.84 32.68 1pjz n VAL 18 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1pjz n VAL 19 N -2.63 1.04 -2.35 1.55 0.24 -1.26 -4.72 118.33 110.20 1pjz n VAL 19 Ca 0.08 -0.33 -0.43 0.00 -2.04 0.00 0.00 64.34 61.62 1pjz n VAL 19 Cb 0.51 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.86 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 -0.66 3.57 0.00 7.34 0.04 -1.26 -2.17 135.00 141.86 1pjz s PRO 20 Ca 0.41 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1pjz s PRO 20 Cb -0.55 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 29.96 1pjz s PRO 20 CO 0.38 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 176.26 1pjz n GLY 21 N 5.08 0.53 2.97 0.56 0.00 -1.19 -5.04 105.19 108.10 1pjz n GLY 21 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1pjz n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz n ALA 22 N -1.46 -5.18 -2.65 4.61 0.00 -0.92 -3.05 120.51 111.85 1pjz n ALA 22 Ca 0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 1pjz n ALA 22 Cb 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.85 4.20 -0.27 0.00 1.81 -0.79 -1.57 118.95 120.49 1pjz s ARG 23 Ca 0.41 1.04 -0.08 0.00 -1.72 0.00 0.00 55.73 55.39 1pjz s ARG 23 Cb -0.21 -3.64 -0.02 0.00 -0.45 0.00 0.00 34.95 30.62 1pjz s ARG 23 CO 0.80 -0.54 0.09 0.14 -0.68 0.00 0.00 175.30 175.11 1pjz s VAL 24 N 2.91 4.37 -0.13 3.52 -7.23 -0.48 -1.68 120.40 121.67 1pjz s VAL 24 Ca 0.37 -0.25 -0.07 0.00 -1.81 0.00 0.00 61.98 60.23 1pjz s VAL 24 Cb -0.15 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.65 1pjz s VAL 24 CO 0.07 0.27 0.11 -0.22 -0.31 0.00 0.00 175.10 175.01 1pjz s LEU 25 N 1.61 4.16 -0.24 1.32 1.98 -0.22 -0.72 118.68 126.58 1pjz s LEU 25 Ca 0.06 0.34 -0.04 0.00 -2.89 0.00 0.00 54.13 51.59 1pjz s LEU 25 Cb -0.16 -2.02 0.08 0.00 0.66 0.00 0.00 46.19 44.76 1pjz s LEU 25 CO 0.04 0.35 0.10 0.68 -1.89 0.00 0.00 176.35 175.63 1pjz s VAL 26 N -0.65 0.05 0.20 1.68 -7.23 -0.97 0.25 120.40 113.73 1pjz s VAL 26 Ca 0.12 -0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 59.44 1pjz s VAL 26 Cb -0.12 -0.87 -0.08 0.00 0.56 0.00 0.00 36.38 35.87 1pjz s VAL 26 CO 0.02 -0.50 1.11 -2.16 -0.31 0.00 0.00 175.10 173.26 1pjz s PRO 27 N 2.06 4.59 -0.52 4.82 0.04 -1.24 -1.42 135.00 143.33 1pjz s PRO 27 Ca 0.05 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 1pjz s PRO 27 Cb -0.16 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.13 1pjz s PRO 27 CO -0.23 0.09 0.02 1.47 0.04 0.00 0.00 177.00 178.39 1pjz n LEU 28 N 2.13 -0.31 -0.09 -3.56 -0.00 0.64 -4.28 117.00 111.53 1pjz n LEU 28 Ca 0.02 -0.42 -0.13 0.00 -0.00 0.00 0.00 56.01 55.48 1pjz n LEU 28 Cb 0.46 -0.52 -0.14 0.00 -0.00 0.00 0.00 43.42 43.21 1pjz n LEU 28 CO 0.54 0.14 -1.14 0.00 -0.00 0.00 0.00 177.39 176.94 1pjz n GLY 30 N 1.92 2.93 3.73 0.00 0.00 -1.24 -4.36 105.19 108.17 1pjz n GLY 30 Ca -0.36 0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1pjz n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pjz s LYS 31 N 0.00 3.95 -0.05 1.61 2.36 -1.26 -4.95 119.74 121.40 1pjz s LYS 31 Ca 0.00 -0.24 -0.29 0.00 -2.55 0.00 0.00 55.97 52.89 1pjz s LYS 31 Cb 0.00 -3.30 0.10 0.00 -1.05 0.00 0.00 37.83 33.58 1pjz s LYS 31 CO 0.00 0.40 0.86 0.45 1.55 0.00 0.00 175.35 178.61 1pjz s SER 32 N 0.06 -0.44 0.38 1.43 0.15 -1.26 -4.99 113.70 109.03 1pjz s SER 32 Ca 0.08 0.26 0.10 0.00 0.70 0.00 0.00 55.95 57.09 1pjz s SER 32 Cb -0.12 0.41 0.86 0.00 -1.71 0.00 0.00 66.02 65.46 1pjz s SER 32 CO -0.00 -0.56 1.92 1.56 1.20 0.00 0.00 173.24 177.36 1pjz h GLN 33 N 2.36 0.61 0.51 5.44 1.08 -1.95 -1.24 115.11 121.92 1pjz h GLN 33 Ca -0.23 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 1pjz h GLN 33 Cb 1.20 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.48 1pjz h GLN 33 CO 0.33 0.40 -0.43 0.22 -0.95 0.00 0.00 178.83 178.41 1pjz h ASP 34 N 0.63 -1.13 0.25 1.46 3.58 -1.91 0.36 116.42 119.66 1pjz h ASP 34 Ca 0.36 0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.91 1pjz h ASP 34 Cb 0.55 0.36 -0.03 0.00 1.72 0.00 0.00 39.33 41.93 1pjz h ASP 34 CO -0.14 -0.61 -0.40 -0.03 -2.88 0.00 0.00 179.24 175.19 1pjz h MET 35 N -0.93 -0.70 -0.87 0.28 4.05 -1.74 0.33 114.93 115.36 1pjz h MET 35 Ca -0.06 0.05 0.22 0.00 -0.28 0.00 0.00 59.70 59.63 1pjz h MET 35 Cb 0.79 0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 31.70 1pjz h MET 35 CO -0.02 -0.46 0.59 1.03 0.23 0.00 0.00 176.91 178.28 1pjz h SER 36 N -0.72 0.25 -0.10 1.39 0.87 -1.14 0.82 113.55 114.91 1pjz h SER 36 Ca -0.00 0.03 -0.19 0.00 -1.23 0.00 0.00 61.79 60.39 1pjz h SER 36 Cb 0.70 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1pjz h SER 36 CO -0.15 0.10 -0.62 -0.25 -0.53 0.00 0.00 176.83 175.37 1pjz h TRP 37 N 0.25 0.92 0.72 2.24 7.01 0.13 -0.77 115.95 126.45 1pjz h TRP 37 Ca 0.44 -0.35 -0.04 0.00 2.11 0.00 0.00 58.89 61.05 1pjz h TRP 37 Cb 1.32 -0.16 0.01 0.00 -2.10 0.00 0.00 29.16 28.22 1pjz h TRP 37 CO -0.00 1.15 -0.35 -0.07 -2.79 0.00 0.00 178.44 176.38 1pjz h LEU 38 N 0.53 -0.82 -0.80 0.65 3.38 0.43 0.12 115.31 118.80 1pjz h LEU 38 Ca -0.01 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1pjz h LEU 38 Cb 1.21 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 42.08 1pjz h LEU 38 CO 0.13 -0.46 0.36 0.28 0.09 0.00 0.00 178.44 178.84 1pjz h SER 39 N -1.21 0.39 0.74 -0.43 0.02 -0.45 0.80 113.55 113.39 1pjz h SER 39 Ca -0.10 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pjz h SER 39 Cb 0.76 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 1pjz h SER 39 CO 0.16 0.15 -0.01 1.23 -1.14 0.00 0.00 176.83 177.22 1pjz h GLY 40 N 0.52 0.00 1.14 -3.77 0.00 -1.04 -2.59 103.07 97.32 1pjz h GLY 40 Ca 0.44 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.44 1pjz h GLY 40 CO -0.39 0.00 -1.60 -1.61 0.00 0.00 0.00 176.54 172.95 1pjz h GLN 41 N 0.00 0.33 0.00 4.80 -0.00 0.26 -3.49 115.11 117.01 1pjz h GLN 41 Ca -0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 58.65 58.08 1pjz h GLN 41 Cb 0.38 0.21 0.00 0.00 0.00 0.00 0.00 27.48 28.07 1pjz h GLN 41 CO 0.00 1.22 0.00 0.41 0.00 0.00 0.00 178.83 180.46 1pjz n GLY 42 N 1.73 0.70 3.63 2.39 0.00 0.44 -5.01 105.19 109.08 1pjz n GLY 42 Ca -0.19 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.77 2.03 -1.25 1.61 1.51 -1.17 -3.20 117.35 116.11 1pjz s TYR 43 Ca 0.00 -0.95 -0.12 0.00 -1.01 0.00 0.00 57.07 54.99 1pjz s TYR 43 Cb 0.00 -1.52 0.17 0.00 -0.11 0.00 0.00 41.96 40.49 1pjz s TYR 43 CO 0.00 0.15 1.66 0.72 -1.11 0.00 0.00 175.55 176.97 1pjz n HIS 44 N -1.04 4.02 -1.89 2.71 8.25 -0.61 -4.71 115.22 121.95 1pjz n HIS 44 Ca -0.11 -3.08 -0.43 0.00 -0.26 0.00 0.00 57.72 53.84 1pjz n HIS 44 Cb 0.67 -2.09 -0.03 0.00 1.12 0.00 0.00 29.99 29.65 1pjz n HIS 44 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pjz s VAL 45 N 1.11 3.35 -0.13 1.59 1.01 -1.26 -1.38 120.40 124.69 1pjz s VAL 45 Ca 0.42 0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.72 1pjz s VAL 45 Cb 0.03 -3.47 0.06 0.00 0.00 0.00 0.00 36.38 33.00 1pjz s VAL 45 CO 0.00 -0.30 0.13 0.54 0.00 0.00 0.00 175.10 175.48 1pjz s VAL 46 N 7.20 -0.18 0.25 2.92 0.11 0.11 -1.20 120.40 129.61 1pjz s VAL 46 Ca 0.85 0.10 -0.01 0.00 -2.93 0.00 0.00 61.98 60.00 1pjz s VAL 46 Cb -0.26 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.17 1pjz s VAL 46 CO 0.34 -0.06 0.34 0.61 -3.33 0.00 0.00 175.10 173.00 1pjz n GLY 47 N 5.30 2.46 3.29 6.54 0.00 0.33 -2.30 105.19 120.82 1pjz n GLY 47 Ca -0.05 -1.57 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 1pjz n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz s ALA 48 N -2.48 1.67 -0.14 4.61 0.00 -0.51 -1.54 121.76 123.37 1pjz s ALA 48 Ca 0.21 -1.61 0.01 0.00 0.00 0.00 0.00 51.96 50.57 1pjz s ALA 48 Cb -0.01 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.30 1pjz s ALA 48 CO 0.15 -0.12 -0.17 -2.00 0.00 0.00 0.00 175.76 173.62 1pjz s GLU 49 N -3.77 2.56 -1.15 0.00 2.12 -0.38 -0.26 118.70 117.82 1pjz s GLU 49 Ca 0.22 -0.67 -0.05 0.00 0.36 0.00 0.00 54.97 54.82 1pjz s GLU 49 Cb 0.03 -2.20 0.26 0.00 0.26 0.00 0.00 34.13 32.48 1pjz s GLU 49 CO 0.04 -0.13 1.75 1.28 -0.54 0.00 0.00 175.26 177.66 1pjz n LEU 50 N 4.42 6.86 -3.28 2.70 7.99 -1.18 0.96 117.00 135.48 1pjz n LEU 50 Ca -0.19 -5.07 -0.07 0.00 -0.01 0.00 0.00 56.01 50.67 1pjz n LEU 50 Cb 0.51 -1.31 -0.05 0.00 -0.11 0.00 0.00 43.42 42.46 1pjz n LEU 50 CO 0.24 1.73 -0.04 -0.44 -1.51 0.00 0.00 177.39 177.37 1pjz s SER 51 N -0.83 0.00 0.05 -1.43 0.01 0.43 -4.96 113.70 106.97 1pjz s SER 51 Ca 0.37 -0.40 -0.32 0.00 1.31 0.00 0.00 55.95 56.92 1pjz s SER 51 Cb 0.10 1.27 -0.18 0.00 0.21 0.00 0.00 66.02 67.42 1pjz s SER 51 CO 0.02 -0.33 1.44 -0.08 0.41 0.00 0.00 173.24 174.70 1pjz h GLU 52 N 8.00 -1.11 -1.00 12.44 4.81 -1.88 -0.31 114.58 135.52 1pjz h GLU 52 Ca -0.06 0.08 0.24 0.00 -0.13 0.00 0.00 59.36 59.49 1pjz h GLU 52 Cb 1.13 0.25 -0.09 0.00 0.63 0.00 0.00 28.75 30.68 1pjz h GLU 52 CO 0.23 -0.74 0.65 0.00 -0.73 0.00 0.00 179.01 178.42 1pjz h ALA 53 N -1.43 2.20 0.53 2.92 0.00 -1.96 0.91 119.26 122.43 1pjz h ALA 53 Ca -0.12 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1pjz h ALA 53 Cb 0.89 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1pjz h ALA 53 CO 0.19 -0.57 -0.26 0.00 0.00 0.00 0.00 179.25 178.62 1pjz h ALA 54 N 1.61 -0.72 -0.98 0.00 0.00 -1.87 -0.32 119.26 116.99 1pjz h ALA 54 Ca 0.56 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.52 1pjz h ALA 54 Cb 1.38 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 19.36 1pjz h ALA 54 CO -0.26 -0.88 0.63 -0.39 0.00 0.00 0.00 179.25 178.35 1pjz h VAL 55 N -0.77 0.63 -0.36 0.00 -1.51 0.90 0.31 116.25 115.45 1pjz h VAL 55 Ca -0.07 -0.17 -0.04 0.00 -1.23 0.00 0.00 66.70 65.18 1pjz h VAL 55 Cb 0.57 0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 29.81 1pjz h VAL 55 CO 0.12 0.09 0.06 -0.33 -1.23 0.00 0.00 177.57 176.28 1pjz h GLU 56 N 0.50 0.60 -0.17 5.19 5.08 -0.54 -0.05 114.58 125.19 1pjz h GLU 56 Ca 0.54 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 1pjz h GLU 56 Cb 1.22 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1pjz h GLU 56 CO -0.27 0.67 -0.01 0.07 -1.00 0.00 0.00 179.01 178.48 1pjz h ARG 57 N 0.44 0.24 -0.02 2.33 -0.00 0.12 -0.11 114.38 117.38 1pjz h ARG 57 Ca 0.11 -0.03 -0.22 0.00 -0.00 0.00 0.00 59.98 59.84 1pjz h ARG 57 Cb 0.36 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.29 1pjz h ARG 57 CO 0.01 0.27 -0.90 1.88 -0.00 0.00 0.00 179.97 181.22 1pjz h TYR 58 N 0.24 0.61 -0.02 4.08 0.05 -0.58 -0.15 116.97 121.20 1pjz h TYR 58 Ca 0.06 -0.32 -0.13 0.00 0.05 0.00 0.00 58.73 58.38 1pjz h TYR 58 Cb 0.18 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 1pjz h TYR 58 CO 0.00 1.13 -0.59 0.74 -1.05 0.00 0.00 178.16 178.39 1pjz h PHE 59 N 0.25 0.10 0.11 4.88 0.04 -0.26 0.77 116.94 122.82 1pjz h PHE 59 Ca -0.07 -0.04 -0.29 0.00 2.80 0.00 0.00 57.97 60.37 1pjz h PHE 59 Cb 1.53 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.66 1pjz h PHE 59 CO 0.06 0.65 -1.42 0.00 -0.60 0.00 0.00 178.31 177.00 1pjz h THR 60 N 0.06 1.28 -0.15 -1.55 1.03 -1.03 0.44 112.91 112.99 1pjz h THR 60 Ca -0.01 -2.92 -0.22 0.00 -0.01 0.00 0.00 66.41 63.26 1pjz h THR 60 Cb 1.06 2.80 0.01 0.00 -1.07 0.00 0.00 68.15 70.96 1pjz h THR 60 CO 0.08 0.84 -0.76 -0.33 -0.01 0.00 0.00 175.52 175.33 1pjz h GLU 61 N 0.06 0.73 0.07 0.00 4.39 -0.95 -3.28 114.58 115.60 1pjz h GLU 61 Ca -0.20 -0.60 -0.30 0.00 0.34 0.00 0.00 59.36 58.61 1pjz h GLU 61 Cb 1.98 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 30.73 1pjz h GLU 61 CO 0.17 1.21 -1.63 0.00 -1.16 0.00 0.00 179.01 177.59 1pjz h ARG 62 N 0.50 0.14 -2.10 2.33 3.08 -0.95 -3.49 114.38 113.89 1pjz h ARG 62 Ca -0.05 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.67 1pjz h ARG 62 Cb 1.38 0.09 0.03 0.00 0.08 0.00 0.00 29.97 31.55 1pjz h ARG 62 CO 0.15 0.90 -0.15 0.41 -1.07 0.00 0.00 179.97 180.21 1pjz n GLY 63 N 1.66 0.61 0.47 0.04 0.00 0.15 -4.82 105.19 103.30 1pjz n GLY 63 Ca -0.18 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.51 -1.28 0.00 1.61 1.02 -0.98 -5.03 120.64 114.47 1pjz n GLU 64 Ca 0.00 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 1pjz n GLU 64 Cb 0.51 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 1pjz n GLU 64 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pjz n GLN 65 N -1.55 0.00 -1.39 3.49 6.02 -1.26 -5.13 117.38 117.56 1pjz n GLN 65 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 1pjz n GLN 65 Cb 0.10 0.00 0.21 0.00 1.02 0.00 0.00 30.24 31.57 1pjz n GLN 65 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1pjz n PRO 66 N 0.00 -2.09 -3.05 -1.09 -0.04 -1.26 -4.99 135.00 122.47 1pjz n PRO 66 Ca 0.00 -1.79 -0.43 0.00 -0.04 0.00 0.00 63.50 61.25 1pjz n PRO 66 Cb 0.00 -1.41 -0.06 0.00 -0.04 0.00 0.00 33.50 31.99 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 -3.30 3.08 -0.15 0.54 2.46 -0.16 -4.93 115.29 112.82 1pjz s HIS 67 Ca 0.69 0.20 -0.04 0.00 0.47 0.00 0.00 55.06 56.38 1pjz s HIS 67 Cb -0.04 -3.38 -0.03 0.00 -0.13 0.00 0.00 32.58 29.00 1pjz s HIS 67 CO 0.50 -0.81 -0.03 0.42 -2.47 0.00 0.00 174.74 172.35 1pjz s ILE 68 N 2.95 3.99 0.01 0.89 -1.09 -1.26 -0.99 121.20 125.71 1pjz s ILE 68 Ca 0.26 -0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.37 1pjz s ILE 68 Cb -0.14 -2.75 -0.01 0.00 -1.58 0.00 0.00 42.46 37.99 1pjz s ILE 68 CO 0.18 0.50 -0.06 -0.89 -1.23 0.00 0.00 174.94 173.45 1pjz s THR 69 N 0.25 0.43 -0.27 2.92 2.01 0.14 -4.97 115.64 116.14 1pjz s THR 69 Ca -0.02 -0.50 -0.15 0.00 0.31 0.00 0.00 61.69 61.33 1pjz s THR 69 Cb -0.14 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 1pjz s THR 69 CO 0.03 -0.06 0.38 -0.44 -0.69 0.00 0.00 174.62 173.84 1pjz s SER 70 N -0.61 6.27 -0.66 3.53 0.01 -1.26 -0.50 113.70 120.47 1pjz s SER 70 Ca -0.02 0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.57 1pjz s SER 70 Cb -0.05 -2.21 0.16 0.00 0.21 0.00 0.00 66.02 64.13 1pjz s SER 70 CO -0.00 -0.18 0.45 -1.10 0.41 0.00 0.00 173.24 172.81 1pjz s GLN 71 N 2.06 2.44 6.25 12.44 -1.52 0.12 -4.98 119.66 136.47 1pjz s GLN 71 Ca 0.15 -2.98 0.00 0.00 -1.95 0.00 0.00 55.36 50.59 1pjz s GLN 71 Cb -0.16 -3.52 0.00 0.00 -0.22 0.00 0.00 33.01 29.12 1pjz s GLN 71 CO 0.10 -1.21 0.00 0.41 -0.25 0.00 0.00 175.29 174.34 1pjz n GLY 72 N 2.63 1.70 1.82 3.09 0.00 -1.26 0.22 105.19 113.38 1pjz n GLY 72 Ca 0.13 0.37 0.08 0.00 0.00 0.00 0.00 46.02 46.60 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 11.59 5.47 -4.19 1.61 2.03 -1.26 -4.93 116.55 126.87 1pjz n ASP 73 Ca 0.00 -2.79 -0.19 0.00 0.52 0.00 0.00 54.79 52.33 1pjz n ASP 73 Cb 0.00 -0.66 -0.10 0.00 -0.72 0.00 0.00 41.12 39.64 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 -2.49 1.64 0.20 -0.67 0.08 0.13 -5.02 117.98 111.85 1pjz s PHE 74 Ca 0.54 -1.24 0.03 0.00 0.12 0.00 0.00 56.93 56.38 1pjz s PHE 74 Cb 0.39 -0.96 -0.05 0.00 -0.57 0.00 0.00 43.02 41.83 1pjz s PHE 74 CO 0.19 -0.36 -0.02 0.21 -0.10 0.00 0.00 175.22 175.14 1pjz s LYS 75 N -3.90 1.22 -0.21 0.44 2.20 -1.26 0.16 119.74 118.39 1pjz s LYS 75 Ca 0.35 -1.59 -0.04 0.00 -0.36 0.00 0.00 55.97 54.33 1pjz s LYS 75 Cb 0.06 -0.49 0.09 0.00 -1.51 0.00 0.00 37.83 35.98 1pjz s LYS 75 CO 0.15 -0.08 0.17 0.54 -0.36 0.00 0.00 175.35 175.78 1pjz s VAL 76 N -3.49 -0.23 -0.37 4.02 0.11 0.35 -1.33 120.40 119.46 1pjz s VAL 76 Ca 0.25 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1pjz s VAL 76 Cb 0.05 -0.70 0.10 0.00 -1.53 0.00 0.00 36.38 34.30 1pjz s VAL 76 CO 0.06 -0.31 0.12 -0.47 -3.33 0.00 0.00 175.10 171.17 1pjz s TYR 77 N 2.24 3.65 0.17 1.54 5.04 0.14 -0.69 117.35 129.46 1pjz s TYR 77 Ca 0.06 -2.67 0.00 0.00 -2.44 0.00 0.00 57.07 52.02 1pjz s TYR 77 Cb -0.16 -3.02 -0.04 0.00 0.35 0.00 0.00 41.96 39.09 1pjz s TYR 77 CO -0.16 -0.95 0.34 0.00 -1.34 0.00 0.00 175.55 173.44 1pjz s ALA 78 N 1.03 3.88 0.21 3.97 0.00 -0.16 -0.32 121.76 130.37 1pjz s ALA 78 Ca 0.09 -0.88 0.11 0.00 0.00 0.00 0.00 51.96 51.28 1pjz s ALA 78 Cb -0.21 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 1pjz s ALA 78 CO -0.06 0.51 -0.22 0.00 0.00 0.00 0.00 175.76 175.99 1pjz s ALA 79 N -1.79 2.52 -1.76 0.00 0.00 -1.21 -0.99 121.76 118.52 1pjz s ALA 79 Ca 0.37 -1.69 0.24 0.00 0.00 0.00 0.00 51.96 50.88 1pjz s ALA 79 Cb -0.11 -0.29 1.32 0.00 0.00 0.00 0.00 23.12 24.04 1pjz s ALA 79 CO 0.29 0.36 1.78 -0.35 0.00 0.00 0.00 175.76 177.83 1pjz n PRO 80 N 0.02 0.57 -0.11 0.00 -0.04 -1.26 -3.35 135.00 130.84 1pjz n PRO 80 Ca -0.10 0.03 -0.20 0.00 -0.04 0.00 0.00 63.50 63.19 1pjz n PRO 80 Cb 0.57 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.75 3.45 0.55 0.00 -1.26 -5.03 105.19 102.72 1pjz n GLY 81 Ca 0.15 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.42 0.85 -0.65 -0.61 -1.16 -1.21 -5.04 121.20 110.95 1pjz s ILE 82 Ca -0.29 -2.00 -0.02 0.00 -0.51 0.00 0.00 60.65 57.83 1pjz s ILE 82 Cb 0.07 -2.60 0.36 0.00 0.61 0.00 0.00 42.46 40.90 1pjz s ILE 82 CO 0.49 0.00 2.10 -0.62 -2.81 0.00 0.00 174.94 174.10 1pjz n GLU 83 N -0.73 2.56 -3.44 3.50 4.71 -0.34 -3.36 120.64 123.54 1pjz n GLU 83 Ca -0.03 -3.03 -0.43 0.00 -0.01 0.00 0.00 57.16 53.65 1pjz n GLU 83 Cb 0.66 -2.18 -0.09 0.00 -1.01 0.00 0.00 31.44 28.82 1pjz n GLU 83 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1pjz s ILE 84 N -4.32 5.25 -0.47 -3.67 -1.09 -1.25 -0.51 121.20 115.13 1pjz s ILE 84 Ca 0.56 -0.73 -0.15 0.00 -2.23 0.00 0.00 60.65 58.10 1pjz s ILE 84 Cb 0.44 -3.98 0.08 0.00 -1.58 0.00 0.00 42.46 37.43 1pjz s ILE 84 CO -0.14 -0.37 0.39 -1.66 -1.23 0.00 0.00 174.94 171.92 1pjz s TRP 85 N 1.69 3.26 0.55 3.97 1.48 -0.59 -3.85 118.94 125.45 1pjz s TRP 85 Ca 0.05 -1.06 -0.20 0.00 -1.06 0.00 0.00 56.10 53.83 1pjz s TRP 85 Cb -0.20 -3.21 -0.05 0.00 -1.16 0.00 0.00 33.47 28.85 1pjz s TRP 85 CO 0.09 -0.83 1.16 0.00 -4.06 0.00 0.00 176.95 173.32 1pjz n GLY 87 N 0.30 1.07 3.14 0.00 0.00 0.27 0.27 105.19 110.25 1pjz n GLY 87 Ca 0.12 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1pjz n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pjz s ASP 88 N -4.00 0.35 -0.10 1.61 2.15 -0.44 -0.43 116.67 115.81 1pjz s ASP 88 Ca 0.00 -1.10 0.01 0.00 0.43 0.00 0.00 52.55 51.89 1pjz s ASP 88 Cb 0.00 0.27 -0.02 0.00 -0.30 0.00 0.00 42.92 42.87 1pjz s ASP 88 CO 0.00 -0.69 -0.13 0.12 -0.17 0.00 0.00 175.17 174.29 1pjz s PHE 89 N -3.99 2.78 0.00 -5.34 2.19 -1.26 -4.69 117.98 107.67 1pjz s PHE 89 Ca 0.17 -0.47 0.00 0.00 0.33 0.00 0.00 56.93 56.96 1pjz s PHE 89 Cb 0.07 -1.77 0.00 0.00 -1.31 0.00 0.00 43.02 40.01 1pjz s PHE 89 CO -0.03 -0.07 0.00 1.19 1.83 0.00 0.00 175.22 178.14 1pjz n PHE 90 N 3.10 0.00 0.00 10.12 3.72 -1.26 -5.05 117.46 128.09 1pjz n PHE 90 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1pjz n PHE 90 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pjz n ALA 91 N 0.00 0.00 -0.43 4.37 0.00 -1.26 -4.99 120.51 118.19 1pjz n ALA 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pjz n ALA 91 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pjz n ALA 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1pjz n LEU 92 N 0.00 0.02 -3.38 0.00 -0.00 -1.26 -5.07 117.00 107.31 1pjz n LEU 92 Ca 0.00 -0.03 -0.37 0.00 -0.00 0.00 0.00 56.01 55.61 1pjz n LEU 92 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.46 1pjz n LEU 92 CO 0.00 0.01 -0.26 0.35 -0.00 0.00 0.00 177.39 177.48 1pjz n THR 93 N -0.02 -3.56 0.05 1.47 -2.24 -1.26 -4.44 114.28 104.27 1pjz n THR 93 Ca 0.00 0.06 0.03 0.00 -2.27 0.00 0.00 64.05 61.87 1pjz n THR 93 Cb 0.11 -3.25 0.17 0.00 -2.10 0.00 0.00 70.33 65.26 1pjz n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pjz n ALA 94 N -0.29 0.95 0.03 6.98 0.00 -0.97 -0.83 120.51 126.38 1pjz n ALA 94 Ca -0.10 0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.21 1pjz n ALA 94 Cb 0.65 -1.03 -0.14 0.00 0.00 0.00 0.00 19.45 18.93 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 0.25 -0.21 0.00 0.11 0.43 0.55 114.38 115.50 1pjz h ARG 95 Ca 0.00 -0.43 -0.05 0.00 0.10 0.00 0.00 59.98 59.60 1pjz h ARG 95 Cb 0.08 0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.31 1pjz h ARG 95 CO 0.00 1.20 -0.06 0.22 0.10 0.00 0.00 179.97 181.43 1pjz h ASP 96 N -0.46 0.42 -0.07 0.08 1.82 -1.22 0.37 116.42 117.36 1pjz h ASP 96 Ca -0.14 -0.37 -0.24 0.00 -0.39 0.00 0.00 57.03 55.88 1pjz h ASP 96 Cb 1.56 -0.12 0.02 0.00 0.68 0.00 0.00 39.33 41.47 1pjz h ASP 96 CO 0.12 0.70 -0.90 -0.29 -1.61 0.00 0.00 179.24 177.26 1pjz h ILE 97 N 0.14 1.28 0.00 2.25 6.09 -1.45 -3.38 117.51 122.45 1pjz h ILE 97 Ca 0.05 -2.11 0.00 0.00 -1.37 0.00 0.00 64.86 61.43 1pjz h ILE 97 Cb 0.52 2.22 0.00 0.00 0.47 0.00 0.00 36.82 40.03 1pjz h ILE 97 CO 0.02 0.66 0.00 0.61 -3.07 0.00 0.00 178.15 176.37 1pjz n GLY 98 N 0.92 -1.53 5.09 8.18 0.00 0.19 -4.70 105.19 113.34 1pjz n GLY 98 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1pjz n GLY 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1pjz n HIS 99 N -1.10 0.00 -3.80 1.61 -0.00 0.13 -4.39 115.22 107.67 1pjz n HIS 99 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 1pjz n HIS 99 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.86 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 3.25 0.00 -3.34 0.00 0.00 -0.17 -1.88 120.51 118.37 1pjz n ALA 101 Ca -0.15 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.32 1pjz n ALA 101 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.03 1pjz n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz n ALA 102 N -0.61 -1.04 -3.64 0.00 0.00 -0.68 0.26 120.51 114.81 1pjz n ALA 102 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 53.44 52.97 1pjz n ALA 102 Cb 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 1pjz n ALA 102 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1pjz s PHE 103 N -4.52 -0.46 -0.30 0.00 -0.71 -0.27 -1.06 117.98 110.66 1pjz s PHE 103 Ca 0.09 1.09 -0.10 0.00 -1.04 0.00 0.00 56.93 56.97 1pjz s PHE 103 Cb -0.01 0.37 -0.02 0.00 -1.21 0.00 0.00 43.02 42.15 1pjz s PHE 103 CO 0.02 -0.23 0.16 -0.47 -1.34 0.00 0.00 175.22 173.37 1pjz s TYR 104 N 0.39 3.18 -0.19 3.49 5.04 0.14 -0.63 117.35 128.77 1pjz s TYR 104 Ca 0.02 -0.35 -0.13 0.00 -2.44 0.00 0.00 57.07 54.16 1pjz s TYR 104 Cb -0.05 -2.36 -0.05 0.00 0.35 0.00 0.00 41.96 39.86 1pjz s TYR 104 CO -0.08 -0.37 0.27 -0.51 -1.34 0.00 0.00 175.55 173.52 1pjz s ASP 105 N 1.66 6.35 0.39 4.32 1.11 0.13 -3.68 116.67 126.95 1pjz s ASP 105 Ca 0.06 0.40 0.04 0.00 0.18 0.00 0.00 52.55 53.22 1pjz s ASP 105 Cb -0.17 -2.17 -0.00 0.00 1.07 0.00 0.00 42.92 41.65 1pjz s ASP 105 CO 0.07 0.06 0.57 0.00 1.18 0.00 0.00 175.17 177.06 1pjz s ARG 106 N 0.75 3.06 -0.48 8.23 1.04 -1.26 -0.36 118.95 129.92 1pjz s ARG 106 Ca 0.14 -0.80 -0.27 0.00 -1.04 0.00 0.00 55.73 53.77 1pjz s ARG 106 Cb -0.13 -2.70 -0.08 0.00 -2.04 0.00 0.00 34.95 30.00 1pjz s ARG 106 CO 0.04 -0.11 2.41 0.00 -0.04 0.00 0.00 175.30 177.59 1pjz n ALA 107 N -1.85 0.88 0.04 7.88 0.00 -0.82 -4.48 120.51 122.16 1pjz n ALA 107 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1pjz n ALA 107 Cb 0.58 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.90 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 15.13 3.00 0.23 0.00 0.00 -1.26 -4.82 120.51 132.79 1pjz n ALA 108 Ca 0.38 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.89 1pjz n ALA 108 Cb 0.51 0.12 0.54 0.00 0.00 0.00 0.00 19.45 20.61 1pjz n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz h MET 109 N 0.00 0.00 0.00 0.00 -0.00 -1.93 -1.11 114.93 111.89 1pjz h MET 109 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1pjz h MET 109 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.79 1pjz h MET 109 CO 0.00 0.21 0.00 -0.84 -0.00 0.00 0.00 176.91 176.28 1pjz h ILE 110 N 0.00 0.00 0.00 -0.10 -2.65 -1.91 -2.86 117.51 109.99 1pjz h ILE 110 Ca -0.00 -0.06 0.00 0.00 1.03 0.00 0.00 64.86 65.83 1pjz h ILE 110 Cb 0.43 0.62 0.00 0.00 -2.05 0.00 0.00 36.82 35.82 1pjz h ILE 110 CO 0.03 0.00 -0.22 0.00 0.03 0.00 0.00 178.15 177.98 1pjz h ALA 111 N 2.05 0.00 -1.89 0.16 0.00 -1.40 1.70 119.26 119.89 1pjz h ALA 111 Ca 0.00 -0.27 -0.44 0.00 0.00 0.00 0.00 54.91 54.20 1pjz h ALA 111 Cb 0.08 0.22 0.23 0.00 0.00 0.00 0.00 17.79 18.32 1pjz h ALA 111 CO 0.00 0.22 -0.59 1.47 0.00 0.00 0.00 179.25 180.35 1pjz n LEU 112 N -3.95 -2.10 0.00 0.00 -0.00 -1.08 -4.79 117.00 105.08 1pjz n LEU 112 Ca -0.03 -0.17 -0.09 0.00 -0.00 0.00 0.00 56.01 55.72 1pjz n LEU 112 Cb 0.12 -1.09 0.07 0.00 -0.00 0.00 0.00 43.42 42.51 1pjz n LEU 112 CO 0.05 -3.22 0.23 -0.81 -0.00 0.00 0.00 177.39 173.63 1pjz n PRO 113 N -3.49 -1.02 0.18 1.47 -0.04 -1.26 -4.69 135.00 126.14 1pjz n PRO 113 Ca 0.01 -0.58 -0.07 0.00 -0.04 0.00 0.00 63.50 62.82 1pjz n PRO 113 Cb 0.58 -0.46 -0.03 0.00 -0.04 0.00 0.00 33.50 33.55 1pjz n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pjz h ALA 114 N -2.08 -0.81 -0.96 0.55 0.00 -1.94 0.58 119.26 114.60 1pjz h ALA 114 Ca -0.13 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.81 1pjz h ALA 114 Cb 0.37 0.18 -0.14 0.00 0.00 0.00 0.00 17.79 18.20 1pjz h ALA 114 CO 0.09 -0.78 -0.44 -3.47 0.00 0.00 0.00 179.25 174.65 1pjz n ASP 115 N -3.71 -0.76 -0.21 0.00 -0.08 -1.26 0.91 116.55 111.44 1pjz n ASP 115 Ca -0.06 1.69 -0.07 0.00 -1.51 0.00 0.00 54.79 54.84 1pjz n ASP 115 Cb 0.19 -0.33 0.03 0.00 2.34 0.00 0.00 41.12 43.35 1pjz n ASP 115 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 1pjz h MET 116 N 0.00 0.85 -0.67 -0.67 4.05 -1.93 -1.41 114.93 115.15 1pjz h MET 116 Ca 0.27 -0.11 0.12 0.00 -0.28 0.00 0.00 59.70 59.70 1pjz h MET 116 Cb 0.51 -0.16 -0.09 0.00 -0.80 0.00 0.00 31.60 31.07 1pjz h MET 116 CO -0.94 0.67 0.21 0.00 0.23 0.00 0.00 176.91 177.08 1pjz h ARG 117 N 0.81 0.34 -0.22 0.39 3.08 0.62 0.54 114.38 119.94 1pjz h ARG 117 Ca 0.21 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1pjz h ARG 117 Cb 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1pjz h ARG 117 CO -0.03 0.23 0.01 0.93 -1.07 0.00 0.00 179.97 180.04 1pjz h GLU 118 N 0.35 0.39 0.00 0.04 5.08 -0.03 -0.97 114.58 119.44 1pjz h GLU 118 Ca 0.35 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1pjz h GLU 118 Cb 0.52 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1pjz h GLU 118 CO -0.39 0.57 -0.04 0.00 -1.00 0.00 0.00 179.01 178.15 1pjz h ARG 119 N 0.17 0.00 0.01 2.33 2.47 -0.12 0.63 114.38 119.87 1pjz h ARG 119 Ca 0.06 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1pjz h ARG 119 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 1pjz h ARG 119 CO 0.01 0.04 -0.00 -0.92 0.56 0.00 0.00 179.97 179.66 1pjz h TYR 120 N 0.00 -0.01 -0.78 3.04 3.20 0.56 -0.79 116.97 122.19 1pjz h TYR 120 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1pjz h TYR 120 Cb 0.16 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 1pjz h TYR 120 CO 0.00 0.79 0.44 -0.39 -1.64 0.00 0.00 178.16 177.37 1pjz h VAL 121 N -0.94 1.23 -0.09 1.81 -1.51 -0.86 0.72 116.25 116.62 1pjz h VAL 121 Ca -0.00 -0.54 -0.02 0.00 -1.23 0.00 0.00 66.70 64.91 1pjz h VAL 121 Cb 0.81 0.17 -0.00 0.00 -2.13 0.00 0.00 31.29 30.14 1pjz h VAL 121 CO 0.00 0.25 -0.01 0.06 -1.23 0.00 0.00 177.57 176.64 1pjz h GLN 122 N 1.08 0.16 -0.87 5.19 3.07 -0.99 0.19 115.11 122.94 1pjz h GLN 122 Ca 0.28 -0.06 0.09 0.00 0.09 0.00 0.00 58.65 59.05 1pjz h GLN 122 Cb 0.01 -0.01 -0.07 0.00 0.08 0.00 0.00 27.48 27.48 1pjz h GLN 122 CO -0.05 0.45 0.52 0.45 0.09 0.00 0.00 178.83 180.29 1pjz h HIS 123 N -0.15 0.94 0.61 0.06 3.86 -0.84 0.37 115.15 120.00 1pjz h HIS 123 Ca 0.02 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1pjz h HIS 123 Cb 0.39 -0.29 0.01 0.00 1.06 0.00 0.00 27.41 28.57 1pjz h HIS 123 CO 0.04 0.40 -0.29 1.25 0.86 0.00 0.00 177.93 180.19 1pjz h LEU 124 N 0.87 -0.69 -1.77 2.43 7.12 -0.70 -1.41 115.31 121.16 1pjz h LEU 124 Ca 0.41 0.02 0.02 0.00 0.13 0.00 0.00 57.88 58.47 1pjz h LEU 124 Cb 0.35 0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.65 1pjz h LEU 124 CO -0.24 -0.31 0.44 -0.08 -0.13 0.00 0.00 178.44 178.12 1pjz h GLU 125 N -1.18 0.00 0.13 1.25 4.81 -0.30 2.06 114.58 121.35 1pjz h GLU 125 Ca -0.08 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1pjz h GLU 125 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1pjz h GLU 125 CO 0.14 0.00 -0.06 0.00 -0.73 0.00 0.00 179.01 178.35 1pjz h ALA 126 N 1.20 -0.18 -0.02 2.92 0.00 0.01 -3.26 119.26 119.94 1pjz h ALA 126 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pjz h ALA 126 Cb 0.91 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1pjz h ALA 126 CO -0.00 -0.17 0.00 1.47 0.00 0.00 0.00 179.25 180.54 1pjz n LEU 127 N -4.89 0.19 -4.67 0.00 -0.00 -0.20 -4.86 117.00 102.58 1pjz n LEU 127 Ca -0.03 -0.08 -0.30 0.00 -0.00 0.00 0.00 56.01 55.60 1pjz n LEU 127 Cb 0.12 -0.01 0.21 0.00 -0.00 0.00 0.00 43.42 43.74 1pjz n LEU 127 CO 0.09 0.04 0.67 -0.04 -0.00 0.00 0.00 177.39 178.15 1pjz s MET 128 N -1.98 -0.48 0.00 1.47 -1.94 0.68 0.29 119.30 117.35 1pjz s MET 128 Ca 0.30 0.01 0.00 0.00 -1.71 0.00 0.00 55.69 54.29 1pjz s MET 128 Cb 0.14 -1.68 0.00 0.00 2.01 0.00 0.00 34.83 35.31 1pjz s MET 128 CO 0.24 -3.23 0.00 -0.35 -0.01 0.00 0.00 175.02 171.67 1pjz n PRO 129 N -4.43 0.18 -0.10 2.03 -0.04 -1.24 -3.63 135.00 127.77 1pjz n PRO 129 Ca 0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 1pjz n PRO 129 Cb 0.59 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.98 1pjz n PRO 129 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1pjz n GLN 130 N -0.69 0.43 -3.68 0.54 6.02 -0.47 -4.88 117.38 114.66 1pjz n GLN 130 Ca 0.00 0.18 -0.30 0.00 -0.01 0.00 0.00 57.00 56.87 1pjz n GLN 130 Cb 0.00 -1.23 -0.14 0.00 1.02 0.00 0.00 30.24 29.88 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pjz s ALA 131 N -2.37 1.48 0.12 -1.58 0.00 -0.69 -3.93 121.76 114.79 1pjz s ALA 131 Ca -0.28 -1.79 -0.13 0.00 0.00 0.00 0.00 51.96 49.76 1pjz s ALA 131 Cb 0.10 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.60 1pjz s ALA 131 CO 0.36 -1.79 0.33 0.00 0.00 0.00 0.00 175.76 174.67 1pjz s SER 133 N -2.84 5.88 0.24 0.00 1.04 0.14 0.42 113.70 118.59 1pjz s SER 133 Ca 0.05 -1.20 -0.11 0.00 0.48 0.00 0.00 55.95 55.17 1pjz s SER 133 Cb 0.03 -2.08 -0.08 0.00 0.10 0.00 0.00 66.02 64.00 1pjz s SER 133 CO -0.11 -0.50 0.59 -0.83 0.98 0.00 0.00 173.24 173.37 1pjz s GLY 134 N 1.98 2.30 -0.20 7.32 0.00 0.19 -1.11 107.32 117.80 1pjz s GLY 134 Ca 0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 44.72 44.51 1pjz s GLY 134 CO 0.06 -0.04 0.20 -2.27 0.00 0.00 0.00 173.10 171.05 1pjz s LEU 135 N -2.80 -0.01 0.11 0.66 0.20 0.20 0.23 118.68 117.28 1pjz s LEU 135 Ca 0.48 -0.34 -0.13 0.00 0.69 0.00 0.00 54.13 54.83 1pjz s LEU 135 Cb -0.11 0.25 -0.06 0.00 -0.43 0.00 0.00 46.19 45.83 1pjz s LEU 135 CO 0.20 -0.34 0.49 -0.22 -0.29 0.00 0.00 176.35 176.19 1pjz s LEU 136 N 2.29 4.35 -0.35 -0.68 2.96 0.96 0.17 118.68 128.38 1pjz s LEU 136 Ca 0.06 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 54.95 1pjz s LEU 136 Cb -0.16 -3.13 0.11 0.00 0.50 0.00 0.00 46.19 43.51 1pjz s LEU 136 CO -0.13 0.14 0.11 -0.63 -1.32 0.00 0.00 176.35 174.52 1pjz s ILE 137 N -1.42 1.46 0.39 6.68 -1.09 0.51 -0.78 121.20 126.96 1pjz s ILE 137 Ca 0.35 -1.95 0.08 0.00 -2.23 0.00 0.00 60.65 56.90 1pjz s ILE 137 Cb -0.15 -2.08 -0.02 0.00 -1.58 0.00 0.00 42.46 38.63 1pjz s ILE 137 CO 0.18 -0.69 0.36 0.42 -1.23 0.00 0.00 174.94 173.99 1pjz s THR 138 N 1.13 2.93 0.16 2.92 -4.23 0.18 -1.94 115.64 116.80 1pjz s THR 138 Ca 0.12 -1.33 0.02 0.00 -1.18 0.00 0.00 61.69 59.31 1pjz s THR 138 Cb -0.19 -3.05 -0.05 0.00 1.34 0.00 0.00 72.50 70.55 1pjz s THR 138 CO -0.15 -0.05 0.00 -0.76 -0.54 0.00 0.00 174.62 173.12 1pjz s LEU 139 N -4.10 2.11 0.00 4.79 1.02 -1.26 -0.08 118.68 121.16 1pjz s LEU 139 Ca 0.46 -1.16 0.00 0.00 0.02 0.00 0.00 54.13 53.45 1pjz s LEU 139 Cb -0.04 -0.03 0.00 0.00 0.02 0.00 0.00 46.19 46.14 1pjz s LEU 139 CO 0.28 -0.57 0.00 1.21 0.02 0.00 0.00 176.35 177.28 1pjz n GLU 140 N -0.22 0.00 0.00 1.70 0.00 -0.52 -3.15 120.64 118.46 1pjz n GLU 140 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.09 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 -0.74 0.00 -0.61 4.31 4.02 -1.25 -4.44 117.16 118.45 1pjz n TYR 141 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 1pjz n TYR 141 Cb 0.00 -0.05 -0.01 0.00 -0.02 0.00 0.00 39.34 39.26 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 -1.13 -0.53 0.00 7.72 5.68 -1.26 -4.60 116.55 122.43 1pjz n ASP 142 Ca 0.00 0.49 0.00 0.00 -0.50 0.00 0.00 54.79 54.78 1pjz n ASP 142 Cb 0.00 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.57 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 0.44 0.00 -2.24 0.11 10.64 -1.26 -4.08 117.38 120.98 1pjz n GLN 143 Ca 0.08 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 55.01 1pjz n GLN 143 Cb 0.11 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.50 1pjz n GLN 143 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pjz n ALA 144 N 0.00 4.89 0.00 2.61 0.00 -1.26 -4.30 120.51 122.45 1pjz n ALA 144 Ca 0.00 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 49.51 1pjz n ALA 144 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.60 0.00 -4.82 0.00 -0.00 -1.26 -5.13 117.00 105.18 1pjz n LEU 145 Ca 0.40 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 56.04 1pjz n LEU 145 Cb 0.84 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 44.20 1pjz n LEU 145 CO 0.36 0.00 0.35 -0.22 -0.00 0.00 0.00 177.39 177.87 1pjz s LEU 146 N 0.00 4.38 -0.42 1.47 0.20 -1.26 -4.74 118.68 118.30 1pjz s LEU 146 Ca 0.00 1.31 -0.31 0.00 0.69 0.00 0.00 54.13 55.82 1pjz s LEU 146 Cb 0.00 -3.38 -0.10 0.00 -0.43 0.00 0.00 46.19 42.28 1pjz s LEU 146 CO 0.00 0.10 2.30 -0.62 -0.29 0.00 0.00 176.35 177.84 1pjz n GLU 147 N 0.93 1.12 -0.22 1.98 1.02 -1.26 -4.33 120.64 119.89 1pjz n GLU 147 Ca -0.04 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1pjz n GLU 147 Cb 0.51 -2.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 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 6.28 -3.48 3.62 0.62 0.00 -1.26 -4.87 105.19 106.10 1pjz n GLY 148 Ca 0.41 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1pjz n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pjz s PRO 149 N -4.08 3.83 0.06 1.61 0.04 -1.26 -4.68 135.00 130.52 1pjz s PRO 149 Ca 0.00 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.96 1pjz s PRO 149 Cb 0.00 -3.93 -0.05 0.00 0.04 0.00 0.00 34.50 30.56 1pjz s PRO 149 CO 0.00 -1.23 1.16 -1.25 0.04 0.00 0.00 177.00 175.72 1pjz s PRO 150 N 4.39 4.46 0.00 0.56 0.04 -1.26 -4.40 135.00 138.79 1pjz s PRO 150 Ca 0.59 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1pjz s PRO 150 Cb -0.17 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 31.03 1pjz s PRO 150 CO 0.26 -0.21 1.01 0.34 0.04 0.00 0.00 177.00 178.44 1pjz n PHE 151 N 3.79 0.00 -4.05 0.56 -0.00 0.58 -4.85 117.46 113.49 1pjz n PHE 151 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.24 1pjz n PHE 151 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 39.93 1pjz n PHE 151 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1pjz n SER 152 N -0.50 -1.48 -3.80 -2.13 3.41 -1.19 -4.64 113.62 103.29 1pjz n SER 152 Ca 0.00 -1.01 -0.54 0.00 -0.26 0.00 0.00 58.87 57.07 1pjz n SER 152 Cb 0.00 -2.95 -0.09 0.00 -0.26 0.00 0.00 64.21 60.91 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 -4.42 0.00 -2.52 -3.33 3.14 -1.26 -4.83 118.33 105.11 1pjz n VAL 153 Ca -0.17 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 60.83 1pjz n VAL 153 Cb 0.61 -0.42 -0.04 0.00 -1.06 0.00 0.00 33.84 32.93 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 3.71 4.41 0.21 1.45 0.04 -1.26 -4.95 135.00 138.61 1pjz s PRO 154 Ca 0.94 1.65 -0.09 0.00 0.04 0.00 0.00 61.00 63.54 1pjz s PRO 154 Cb -1.26 -2.88 0.26 0.00 0.04 0.00 0.00 34.50 30.67 1pjz s PRO 154 CO 0.63 0.05 1.78 0.37 0.04 0.00 0.00 177.00 179.87 1pjz h GLN 155 N 3.18 0.55 -1.00 4.56 -0.00 -1.95 -0.47 115.11 119.98 1pjz h GLN 155 Ca -0.47 -0.03 0.16 0.00 -0.00 0.00 0.00 58.65 58.31 1pjz h GLN 155 Cb 1.21 -0.12 -0.10 0.00 0.00 0.00 0.00 27.48 28.47 1pjz h GLN 155 CO 0.65 0.36 0.62 0.00 0.00 0.00 0.00 178.83 180.46 1pjz h THR 156 N 0.57 0.79 0.18 2.39 1.03 -1.97 0.19 112.91 116.09 1pjz h THR 156 Ca 0.31 -0.29 -0.01 0.00 -0.01 0.00 0.00 66.41 66.41 1pjz h THR 156 Cb 0.28 -0.13 0.00 0.00 -1.07 0.00 0.00 68.15 67.24 1pjz h THR 156 CO -0.23 0.15 -0.09 -0.25 -0.01 0.00 0.00 175.52 175.09 1pjz h TRP 157 N 0.84 -0.23 -0.60 0.00 7.01 -1.49 0.53 115.95 122.02 1pjz h TRP 157 Ca 0.54 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.64 1pjz h TRP 157 Cb 0.75 0.08 -0.08 0.00 -2.10 0.00 0.00 29.16 27.80 1pjz h TRP 157 CO -0.00 -0.06 0.16 -0.07 -2.79 0.00 0.00 178.44 175.68 1pjz h LEU 158 N -0.35 0.08 -1.51 0.65 3.38 -0.45 0.89 115.31 118.01 1pjz h LEU 158 Ca -0.03 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1pjz h LEU 158 Cb 0.27 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1pjz h LEU 158 CO 0.04 0.05 -0.01 -0.74 0.09 0.00 0.00 178.44 177.87 1pjz h HIS 159 N 0.31 0.00 0.07 1.13 2.76 -0.33 1.81 115.15 120.89 1pjz h HIS 159 Ca 0.31 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 58.22 1pjz h HIS 159 Cb 0.44 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 1pjz h HIS 159 CO -0.22 0.01 -1.27 0.07 -1.30 0.00 0.00 177.93 175.22 1pjz h ARG 160 N 0.00 0.14 0.00 5.26 0.11 0.57 -3.32 114.38 117.15 1pjz h ARG 160 Ca -0.00 -0.24 0.00 0.00 0.10 0.00 0.00 59.98 59.84 1pjz h ARG 160 Cb 0.50 0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.67 1pjz h ARG 160 CO 0.00 1.05 0.00 1.55 0.10 0.00 0.00 179.97 182.67 1pjz n VAL 161 N -3.40 0.00 -0.71 0.08 3.14 0.22 -4.66 118.33 112.99 1pjz n VAL 161 Ca -0.08 0.13 0.53 0.00 -2.96 0.00 0.00 64.34 61.97 1pjz n VAL 161 Cb 1.00 -1.12 0.82 0.00 -1.06 0.00 0.00 33.84 33.49 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 -2.43 0.00 -1.44 1.45 2.81 0.59 -4.35 117.12 113.75 1pjz n MET 162 Ca 0.00 1.08 -0.51 0.00 -1.81 0.00 0.00 57.70 56.46 1pjz n MET 162 Cb 0.00 -2.49 -0.07 0.00 -0.71 0.00 0.00 33.22 29.94 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 -3.91 2.12 0.00 7.83 2.88 0.27 -4.19 113.62 118.63 1pjz n SER 163 Ca 0.44 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1pjz n SER 163 Cb 2.02 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 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 6.55 -0.11 1.83 0.46 0.00 -1.26 -4.97 105.19 107.69 1pjz n GLY 164 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.66 0.00 -4.55 1.61 3.02 -1.26 -5.02 115.26 107.40 1pjz n ASN 165 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 1pjz n ASN 165 Cb 0.00 0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.92 2.36 -0.66 3.10 -2.14 -1.24 -1.61 118.94 116.84 1pjz s TRP 166 Ca 0.00 -0.31 -0.26 0.00 2.66 0.00 0.00 56.10 58.19 1pjz s TRP 166 Cb 0.00 -4.65 -0.06 0.00 -3.10 0.00 0.00 33.47 25.66 1pjz s TRP 166 CO 0.00 -2.03 2.16 -1.21 -2.66 0.00 0.00 176.95 173.20 1pjz s GLU 167 N 5.48 2.25 0.25 3.25 0.41 -0.13 -4.35 118.70 125.85 1pjz s GLU 167 Ca 0.39 0.69 -0.30 0.00 -0.41 0.00 0.00 54.97 55.34 1pjz s GLU 167 Cb -0.05 -4.65 -0.09 0.00 -1.78 0.00 0.00 34.13 27.56 1pjz s GLU 167 CO 0.07 -3.35 1.11 0.14 -0.49 0.00 0.00 175.26 172.74 1pjz s VAL 168 N 11.35 3.59 0.02 2.63 -7.23 -1.26 -0.42 120.40 129.07 1pjz s VAL 168 Ca 0.82 1.51 0.05 0.00 -1.81 0.00 0.00 61.98 62.55 1pjz s VAL 168 Cb -0.13 -3.96 -0.02 0.00 0.56 0.00 0.00 36.38 32.83 1pjz s VAL 168 CO 0.16 0.33 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.25 1pjz s THR 169 N -0.83 1.12 0.29 5.32 2.01 0.18 -4.85 115.64 118.87 1pjz s THR 169 Ca 0.46 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 61.36 1pjz s THR 169 Cb -0.31 -0.97 -0.10 0.00 0.01 0.00 0.00 72.50 71.12 1pjz s THR 169 CO 0.39 0.16 1.31 -1.59 -0.69 0.00 0.00 174.62 174.20 1pjz s LYS 170 N -0.75 4.37 0.12 4.92 -2.85 -1.26 -0.36 119.74 123.93 1pjz s LYS 170 Ca 0.04 2.17 -0.26 0.00 -1.00 0.00 0.00 55.97 56.91 1pjz s LYS 170 Cb -0.07 -3.11 0.07 0.00 -2.06 0.00 0.00 37.83 32.67 1pjz s LYS 170 CO 0.00 -0.21 1.02 0.54 0.10 0.00 0.00 175.35 176.80 1pjz s VAL 171 N -0.70 0.00 0.00 1.79 0.11 0.74 -4.77 120.40 117.57 1pjz s VAL 171 Ca 0.52 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 1pjz s VAL 171 Cb -0.39 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.45 1pjz s VAL 171 CO 0.47 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 1pjz n GLY 172 N -0.48 -0.34 0.00 6.54 0.00 -1.26 0.42 105.19 110.07 1pjz n GLY 172 Ca -0.06 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1pjz n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pjz n GLY 173 N 0.00 0.03 4.00 -0.02 0.00 -0.38 -4.88 105.19 103.94 1pjz n GLY 173 Ca 0.00 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 2.65 -1.62 1.61 0.00 -1.26 -1.04 119.66 118.00 1pjz s GLN 174 Ca 0.00 -1.15 0.00 0.00 -0.00 0.00 0.00 55.36 54.21 1pjz s GLN 174 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 33.01 30.35 1pjz s GLN 174 CO 0.00 -0.50 0.00 -0.25 0.00 0.00 0.00 175.29 174.54 1pjz n ASP 175 N -2.07 -4.20 -3.73 12.60 8.00 -1.17 -4.78 116.55 121.20 1pjz n ASP 175 Ca 0.09 0.35 -0.30 0.00 0.71 0.00 0.00 54.79 55.64 1pjz n ASP 175 Cb 0.60 -3.79 -0.08 0.00 -0.02 0.00 0.00 41.12 37.83 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 -2.26 2.56 0.02 -3.53 5.66 -1.01 -4.78 114.28 110.94 1pjz n THR 176 Ca -0.16 -5.18 -0.19 0.00 -3.05 0.00 0.00 64.05 55.47 1pjz n THR 176 Cb 0.53 -2.17 -0.10 0.00 -1.55 0.00 0.00 70.33 67.04 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 4.93 0.83 -1.96 1.09 8.10 -1.89 -3.08 115.31 123.33 1pjz h LEU 177 Ca 0.18 -0.73 0.18 0.00 0.11 0.00 0.00 57.88 57.63 1pjz h LEU 177 Cb 0.71 -0.25 -0.03 0.00 -0.44 0.00 0.00 40.66 40.65 1pjz h LEU 177 CO 0.86 1.44 0.47 1.12 -4.11 0.00 0.00 178.44 178.22 1pjz h HIS 178 N 0.29 0.04 -1.05 0.17 2.07 -1.92 -0.32 115.15 114.44 1pjz h HIS 178 Ca -0.11 0.00 0.38 0.00 -2.85 0.00 0.00 60.37 57.80 1pjz h HIS 178 Cb 1.57 -0.01 -0.16 0.00 2.57 0.00 0.00 27.41 31.37 1pjz h HIS 178 CO 0.11 0.01 0.60 1.03 -3.07 0.00 0.00 177.93 176.61 1pjz h SER 179 N 0.03 0.39 -2.32 3.10 0.87 -1.89 -3.40 113.55 110.32 1pjz h SER 179 Ca 0.31 0.21 -0.57 0.00 -1.23 0.00 0.00 61.79 60.52 1pjz h SER 179 Cb 1.21 0.20 -0.14 0.00 -0.44 0.00 0.00 62.40 63.23 1pjz h SER 179 CO -0.01 -0.28 -0.68 -0.55 -0.53 0.00 0.00 176.83 174.78 1pjz s SER 180 N -4.67 3.35 -0.08 6.23 0.15 -0.13 -2.62 113.70 115.94 1pjz s SER 180 Ca -0.09 -1.20 0.10 0.00 0.70 0.00 0.00 55.95 55.45 1pjz s SER 180 Cb 0.32 -0.28 -0.24 0.00 -1.71 0.00 0.00 66.02 64.11 1pjz s SER 180 CO 0.79 -0.27 0.54 0.00 1.20 0.00 0.00 173.24 175.50 1pjz n ALA 181 N -0.72 1.39 -0.09 5.45 0.00 -1.26 -3.96 120.51 121.33 1pjz n ALA 181 Ca -0.05 -0.80 0.25 0.00 0.00 0.00 0.00 53.44 52.84 1pjz n ALA 181 Cb 0.64 -0.74 0.59 0.00 0.00 0.00 0.00 19.45 19.93 1pjz n ALA 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz h ARG 182 N 0.01 0.00 0.39 0.00 2.47 -1.94 0.33 114.38 115.64 1pjz h ARG 182 Ca -0.34 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.36 1pjz h ARG 182 Cb 2.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.36 1pjz h ARG 182 CO 0.07 0.00 -0.19 0.78 0.56 0.00 0.00 179.97 181.20 1pjz h GLY 183 N 0.00 -0.55 2.00 0.04 0.00 -1.81 0.42 103.07 103.17 1pjz h GLY 183 Ca 0.37 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1pjz h GLY 183 CO -0.00 -0.20 0.00 1.41 0.00 0.00 0.00 176.54 177.75 1pjz h LEU 184 N -0.73 0.00 0.18 3.11 -0.00 -0.72 2.10 115.31 119.26 1pjz h LEU 184 Ca -0.05 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.51 1pjz h LEU 184 Cb 0.51 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.19 1pjz h LEU 184 CO 0.09 0.00 -1.43 0.50 -0.00 0.00 0.00 178.44 177.59 1pjz h LYS 185 N 0.00 0.39 0.06 1.13 3.64 -0.50 -3.36 116.57 117.92 1pjz h LYS 185 Ca 0.00 -0.67 -0.37 0.00 -1.27 0.00 0.00 60.65 58.34 1pjz h LYS 185 Cb 0.54 0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 32.56 1pjz h LYS 185 CO 0.00 1.30 -2.21 0.00 -2.27 0.00 0.00 179.45 176.27 1pjz n ALA 186 N -2.66 1.20 -0.05 5.00 0.00 0.14 -5.04 120.51 119.11 1pjz n ALA 186 Ca -0.15 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1pjz n ALA 186 Cb 1.07 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 2.07 0.83 0.09 0.00 0.00 0.70 -4.80 105.19 104.07 1pjz n GLY 187 Ca -0.37 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.52 -3.47 115.31 111.31 1pjz h LEU 188 Ca 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 1pjz h LEU 188 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 1pjz h LEU 188 CO 0.00 1.20 0.00 -1.84 -0.00 0.00 0.00 178.44 177.80 1pjz n GLU 189 N -4.52 0.00 0.00 1.13 -0.00 -1.26 -4.79 120.64 111.19 1pjz n GLU 189 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.94 1pjz n GLU 189 Cb 0.52 -2.81 0.00 0.00 -0.00 0.00 0.00 31.44 29.16 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 -3.55 3.44 1.74 -1.26 -5.03 116.66 110.00 1pjz n ARG 190 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1pjz n ARG 190 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 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 0.00 0.72 0.14 5.56 0.23 -1.26 -4.88 119.30 119.81 1pjz s MET 191 Ca 0.00 0.00 -0.30 0.00 -1.03 0.00 0.00 55.69 54.36 1pjz s MET 191 Cb 0.00 0.34 -0.07 0.00 -1.53 0.00 0.00 34.83 33.57 1pjz s MET 191 CO 0.00 -0.26 1.04 -0.51 -2.03 0.00 0.00 175.02 173.25 1pjz s ASP 192 N -1.59 7.38 -0.16 -1.18 1.11 -1.26 -2.42 116.67 118.55 1pjz s ASP 192 Ca -0.00 1.94 0.01 0.00 0.18 0.00 0.00 52.55 54.68 1pjz s ASP 192 Cb -0.01 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.41 1pjz s ASP 192 CO -0.01 -0.15 -0.17 -0.70 1.18 0.00 0.00 175.17 175.32 1pjz s GLU 193 N -0.14 2.62 -0.24 8.23 2.12 -0.20 -1.43 118.70 129.65 1pjz s GLU 193 Ca 0.48 -0.69 -0.09 0.00 0.36 0.00 0.00 54.97 55.04 1pjz s GLU 193 Cb -0.26 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 1pjz s GLU 193 CO 0.32 -0.19 0.11 -1.01 -0.54 0.00 0.00 175.26 173.95 1pjz s HIS 194 N 1.31 3.18 0.13 5.30 3.76 0.88 -1.25 115.29 128.61 1pjz s HIS 194 Ca 0.03 -0.09 0.07 0.00 -0.15 0.00 0.00 55.06 54.91 1pjz s HIS 194 Cb -0.13 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.27 1pjz s HIS 194 CO -0.10 -0.15 -0.04 0.08 -0.85 0.00 0.00 174.74 173.68 1pjz s VAL 195 N 1.33 3.65 -0.12 -0.90 1.01 0.17 0.51 120.40 126.05 1pjz s VAL 195 Ca 0.06 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 1pjz s VAL 195 Cb -0.15 -2.77 0.05 0.00 0.00 0.00 0.00 36.38 33.51 1pjz s VAL 195 CO 0.05 0.02 0.07 -0.31 0.00 0.00 0.00 175.10 174.94 1pjz s TYR 196 N -1.45 0.18 -0.50 5.22 2.02 0.04 -0.18 117.35 122.68 1pjz s TYR 196 Ca 0.25 -0.09 -0.21 0.00 -0.37 0.00 0.00 57.07 56.64 1pjz s TYR 196 Cb -0.10 -0.62 0.04 0.00 -0.40 0.00 0.00 41.96 40.88 1pjz s TYR 196 CO 0.17 -0.38 0.75 0.54 -1.57 0.00 0.00 175.55 175.05 1pjz s VAL 197 N 2.14 4.69 -0.03 0.71 0.11 0.51 -0.03 120.40 128.50 1pjz s VAL 197 Ca 0.03 -0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.01 1pjz s VAL 197 Cb -0.14 -4.36 -0.04 0.00 -1.53 0.00 0.00 36.38 30.30 1pjz s VAL 197 CO -0.06 -0.86 0.10 -1.48 -3.33 0.00 0.00 175.10 169.46 1pjz s LEU 198 N 3.15 4.01 -0.47 2.54 2.34 0.14 0.52 118.68 130.91 1pjz s LEU 198 Ca 0.23 0.22 -0.04 0.00 0.06 0.00 0.00 54.13 54.60 1pjz s LEU 198 Cb -0.16 -2.26 0.12 0.00 -0.56 0.00 0.00 46.19 43.34 1pjz s LEU 198 CO 0.16 0.30 0.28 -1.61 -1.06 0.00 0.00 176.35 174.42 1pjz s GLU 199 N -1.60 2.20 -0.73 1.48 2.02 0.44 0.55 118.70 123.06 1pjz s GLU 199 Ca 0.22 -1.98 -0.26 0.00 0.02 0.00 0.00 54.97 52.97 1pjz s GLU 199 Cb -0.12 -3.67 -0.09 0.00 0.10 0.00 0.00 34.13 30.35 1pjz s GLU 199 CO 0.12 -1.11 2.26 0.50 0.02 0.00 0.00 175.26 177.04 1pjz s ARG 200 N 0.88 2.01 0.00 1.61 6.06 0.17 -0.96 118.95 128.72 1pjz s ARG 200 Ca 0.10 0.52 0.16 0.00 -2.50 0.00 0.00 55.73 54.01 1pjz s ARG 200 Cb -0.23 -4.76 0.95 0.00 0.06 0.00 0.00 34.95 30.97 1pjz s ARG 200 CO -0.04 -3.81 1.36 1.33 -2.50 0.00 0.00 175.30 171.64