#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pjz h GLN 2 N 0.00 -0.06 0.00 -0.41 7.50 -1.99 -3.43 115.11 116.72 1pjz h GLN 2 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1pjz h GLN 2 Cb 0.00 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.54 1pjz h GLN 2 CO 0.00 -0.04 0.00 0.43 -1.50 0.00 0.00 178.83 177.72 1pjz n SER 3 N -2.85 0.00 -3.41 1.46 7.64 -1.26 -3.66 113.62 111.54 1pjz n SER 3 Ca -0.01 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.60 1pjz n SER 3 Cb 0.04 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.13 1pjz n SER 3 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1pjz s GLU 4 N 0.00 0.73 -0.53 1.43 -1.05 -1.26 -5.03 118.70 112.99 1pjz s GLU 4 Ca 0.00 -1.70 0.05 0.00 -0.15 0.00 0.00 54.97 53.17 1pjz s GLU 4 Cb 0.00 -1.32 0.18 0.00 -0.44 0.00 0.00 34.13 32.55 1pjz s GLU 4 CO 0.00 -1.30 0.44 1.55 0.95 0.00 0.00 175.26 176.90 1pjz n VAL 5 N 3.44 0.08 -2.34 1.83 3.14 -1.24 -4.82 118.33 118.42 1pjz n VAL 5 Ca 0.21 -4.11 0.00 0.00 -2.96 0.00 0.00 64.34 57.48 1pjz n VAL 5 Cb 0.43 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 31.31 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 2.24 -4.80 -0.33 6.55 4.13 -1.26 -3.46 115.26 118.34 1pjz n ASN 6 Ca 0.26 0.37 0.23 0.00 1.68 0.00 0.00 54.58 57.12 1pjz n ASN 6 Cb 0.44 -1.10 0.46 0.00 -1.54 0.00 0.00 39.78 38.04 1pjz n ASN 6 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1pjz h LYS 7 N 3.14 0.31 -0.38 3.52 5.09 -1.94 1.14 116.57 127.45 1pjz h LYS 7 Ca 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 60.65 60.71 1pjz h LYS 7 Cb 0.54 -0.07 -0.02 0.00 0.10 0.00 0.00 32.23 32.78 1pjz h LYS 7 CO 0.00 0.20 0.18 0.38 -2.09 0.00 0.00 179.45 178.12 1pjz h ASP 8 N 0.32 0.51 0.30 7.07 3.04 -1.97 0.43 116.42 126.11 1pjz h ASP 8 Ca 0.72 -0.13 -0.01 0.00 -3.24 0.00 0.00 57.03 54.37 1pjz h ASP 8 Cb 1.63 -0.13 -0.01 0.00 -1.04 0.00 0.00 39.33 39.79 1pjz h ASP 8 CO -0.61 0.50 -0.22 0.25 -2.04 0.00 0.00 179.24 177.12 1pjz h LEU 9 N 0.48 -0.57 -2.26 0.15 7.12 0.10 0.31 115.31 120.64 1pjz h LEU 9 Ca 0.13 0.04 0.04 0.00 0.13 0.00 0.00 57.88 58.22 1pjz h LEU 9 Cb 0.13 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.43 1pjz h LEU 9 CO -0.02 -0.32 0.23 0.06 -0.13 0.00 0.00 178.44 178.27 1pjz h GLN 10 N -0.49 0.00 0.00 1.25 3.07 -1.05 0.55 115.11 118.44 1pjz h GLN 10 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.70 1pjz h GLN 10 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.97 1pjz h GLN 10 CO 0.02 0.00 0.00 0.94 0.09 0.00 0.00 178.83 179.88 1pjz n GLN 11 N -3.48 0.00 -0.38 0.06 -0.06 0.15 -0.30 117.38 113.37 1pjz n GLN 11 Ca 0.01 0.00 0.30 0.00 -2.00 0.00 0.00 57.00 55.31 1pjz n GLN 11 Cb 0.33 -0.58 0.57 0.00 -4.06 0.00 0.00 30.24 26.49 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 0.69 -0.30 3.69 0.05 -0.39 1.66 116.97 122.38 1pjz h TYR 12 Ca 0.00 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.67 1pjz h TYR 12 Cb 0.00 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.56 1pjz h TYR 12 CO 0.00 -0.16 -0.35 2.35 -1.05 0.00 0.00 178.16 178.94 1pjz h TRP 13 N 0.21 0.94 -0.75 4.88 2.91 -1.01 1.64 115.95 124.77 1pjz h TRP 13 Ca 0.75 -0.30 0.07 0.00 1.13 0.00 0.00 58.89 60.54 1pjz h TRP 13 Cb 2.07 -0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 30.48 1pjz h TRP 13 CO -0.01 1.08 0.49 0.77 -1.03 0.00 0.00 178.44 179.74 1pjz h SER 14 N 0.54 0.69 0.07 2.65 0.02 0.54 -1.06 113.55 117.00 1pjz h SER 14 Ca 0.04 0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 60.75 1pjz h SER 14 Cb 0.94 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1pjz h SER 14 CO 0.09 0.44 -1.32 -1.28 -1.14 0.00 0.00 176.83 173.61 1pjz h SER 15 N 0.78 0.24 -0.81 3.07 0.87 -0.66 -3.36 113.55 113.68 1pjz h SER 15 Ca 0.33 -0.78 0.15 0.00 -1.23 0.00 0.00 61.79 60.26 1pjz h SER 15 Cb 0.27 -0.08 -0.15 0.00 -0.44 0.00 0.00 62.40 62.01 1pjz h SER 15 CO -0.11 1.56 -0.25 -0.07 -0.53 0.00 0.00 176.83 177.43 1pjz h LEU 16 N -0.52 -0.92 -0.17 2.23 3.38 0.27 -3.45 115.31 116.13 1pjz h LEU 16 Ca -0.31 0.25 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 1pjz h LEU 16 Cb 1.60 0.56 0.04 0.00 0.09 0.00 0.00 40.66 42.94 1pjz h LEU 16 CO -0.02 -0.28 -0.30 -3.20 0.09 0.00 0.00 178.44 174.73 1pjz n ASN 17 N -5.51 -3.83 -4.52 -0.43 5.15 -0.43 -4.89 115.26 100.80 1pjz n ASN 17 Ca 0.10 -0.17 -0.57 0.00 -0.60 0.00 0.00 54.58 53.34 1pjz n ASN 17 Cb 0.41 -2.62 -0.07 0.00 -0.53 0.00 0.00 39.78 36.96 1pjz n ASN 17 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1pjz n VAL 18 N -3.79 0.13 -0.99 3.44 0.31 -1.26 -4.70 118.33 111.46 1pjz n VAL 18 Ca -0.04 -0.03 -0.33 0.00 -0.01 0.00 0.00 64.34 63.94 1pjz n VAL 18 Cb 0.55 -0.19 -0.01 0.00 -0.91 0.00 0.00 33.84 33.28 1pjz n VAL 18 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1pjz n VAL 19 N 1.63 0.82 -2.30 2.52 3.14 -1.26 -4.69 118.33 118.19 1pjz n VAL 19 Ca 0.19 -0.37 -0.38 0.00 -2.96 0.00 0.00 64.34 60.82 1pjz n VAL 19 Cb 0.12 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.86 1pjz n VAL 19 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1pjz s PRO 20 N -0.74 2.97 0.00 1.45 0.04 -1.26 -2.08 135.00 135.38 1pjz s PRO 20 Ca 0.45 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1pjz s PRO 20 Cb -0.55 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.42 1pjz s PRO 20 CO 0.45 -2.54 0.00 0.41 0.04 0.00 0.00 177.00 175.36 1pjz n GLY 21 N 5.94 1.44 3.70 0.56 0.00 -1.12 -5.03 105.19 110.68 1pjz n GLY 21 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1pjz n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz s ALA 22 N -2.00 1.78 -0.30 4.61 0.00 -0.88 -4.27 121.76 120.71 1pjz s ALA 22 Ca 0.00 0.68 -0.27 0.00 0.00 0.00 0.00 51.96 52.37 1pjz s ALA 22 Cb 0.00 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1pjz s ALA 22 CO 0.00 -2.35 0.98 1.03 0.00 0.00 0.00 175.76 175.41 1pjz s ARG 23 N -4.40 4.07 -0.36 0.00 1.81 -0.76 -1.61 118.95 117.70 1pjz s ARG 23 Ca 0.69 0.97 -0.10 0.00 -1.72 0.00 0.00 55.73 55.58 1pjz s ARG 23 Cb -0.25 -3.71 0.02 0.00 -0.45 0.00 0.00 34.95 30.56 1pjz s ARG 23 CO 0.53 -0.78 0.18 0.14 -0.68 0.00 0.00 175.30 174.69 1pjz s VAL 24 N 3.35 4.43 -0.09 3.52 -7.23 -0.30 -1.62 120.40 122.46 1pjz s VAL 24 Ca 0.41 -0.83 -0.11 0.00 -1.81 0.00 0.00 61.98 59.64 1pjz s VAL 24 Cb -0.13 -3.44 -0.05 0.00 0.56 0.00 0.00 36.38 33.32 1pjz s VAL 24 CO 0.13 -0.17 0.25 -0.22 -0.31 0.00 0.00 175.10 174.78 1pjz s LEU 25 N 1.54 4.39 -0.23 1.32 1.98 -0.25 -0.84 118.68 126.59 1pjz s LEU 25 Ca 0.02 0.64 -0.04 0.00 -2.89 0.00 0.00 54.13 51.86 1pjz s LEU 25 Cb -0.19 -2.29 0.08 0.00 0.66 0.00 0.00 46.19 44.45 1pjz s LEU 25 CO 0.06 0.33 0.09 0.68 -1.89 0.00 0.00 176.35 175.62 1pjz s VAL 26 N -0.79 0.22 0.35 1.68 -7.23 -1.14 0.56 120.40 114.04 1pjz s VAL 26 Ca 0.18 -0.63 -0.26 0.00 -1.81 0.00 0.00 61.98 59.45 1pjz s VAL 26 Cb -0.14 -0.98 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 1pjz s VAL 26 CO 0.07 -0.46 1.07 -2.16 -0.31 0.00 0.00 175.10 173.31 1pjz s PRO 27 N 1.98 4.37 -0.18 4.82 0.04 -1.23 -1.20 135.00 143.59 1pjz s PRO 27 Ca 0.05 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 1pjz s PRO 27 Cb -0.16 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1pjz s PRO 27 CO -0.20 0.02 0.03 1.47 0.04 0.00 0.00 177.00 178.35 1pjz n LEU 28 N 0.48 -0.09 -1.88 -3.56 -0.00 -0.37 -4.21 117.00 107.38 1pjz n LEU 28 Ca 0.02 -0.16 0.02 0.00 -0.00 0.00 0.00 56.01 55.89 1pjz n LEU 28 Cb 0.48 -0.20 0.04 0.00 -0.00 0.00 0.00 43.42 43.74 1pjz n LEU 28 CO 0.49 0.07 0.06 0.00 -0.00 0.00 0.00 177.39 178.01 1pjz s GLY 30 N -2.66 0.87 0.00 0.00 0.00 -1.03 -4.34 107.32 100.15 1pjz s GLY 30 Ca 0.33 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.63 1pjz s GLY 30 CO -0.12 3.40 0.00 1.17 0.00 0.00 0.00 173.10 177.55 1pjz n LYS 31 N 8.27 0.00 -3.63 2.90 0.00 -1.26 -4.94 118.16 119.50 1pjz n LYS 31 Ca 0.24 0.30 -0.02 0.00 0.00 0.00 0.00 58.31 58.83 1pjz n LYS 31 Cb 0.45 -0.28 -0.02 0.00 0.00 0.00 0.00 35.03 35.18 1pjz n LYS 31 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1pjz s SER 32 N 0.00 -0.03 0.23 3.14 0.01 -1.26 -5.01 113.70 110.78 1pjz s SER 32 Ca 0.00 -0.00 -0.07 0.00 1.31 0.00 0.00 55.95 57.18 1pjz s SER 32 Cb 0.00 0.03 0.25 0.00 0.21 0.00 0.00 66.02 66.52 1pjz s SER 32 CO 0.00 -0.05 1.88 1.56 0.41 0.00 0.00 173.24 177.04 1pjz h GLN 33 N 2.00 1.04 0.13 12.44 7.50 -1.97 -1.38 115.11 134.88 1pjz h GLN 33 Ca -0.06 -0.06 0.02 0.00 0.50 0.00 0.00 58.65 59.04 1pjz h GLN 33 Cb 1.14 -0.24 -0.05 0.00 0.05 0.00 0.00 27.48 28.39 1pjz h GLN 33 CO 0.20 0.69 -0.44 0.22 -1.50 0.00 0.00 178.83 178.00 1pjz h ASP 34 N 1.07 -1.30 0.33 1.46 3.58 -1.91 0.39 116.42 120.05 1pjz h ASP 34 Ca 0.34 0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.93 1pjz h ASP 34 Cb -0.01 0.48 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 1pjz h ASP 34 CO -0.11 -0.51 -0.52 -0.03 -2.88 0.00 0.00 179.24 175.19 1pjz h MET 35 N -0.68 -0.86 -1.05 0.28 4.05 -1.83 0.40 114.93 115.24 1pjz h MET 35 Ca 0.01 0.06 0.28 0.00 -0.28 0.00 0.00 59.70 59.78 1pjz h MET 35 Cb 0.70 0.20 -0.07 0.00 -0.80 0.00 0.00 31.60 31.63 1pjz h MET 35 CO -0.24 -0.57 0.71 0.77 0.23 0.00 0.00 176.91 177.80 1pjz h SER 36 N -0.89 0.24 0.11 1.39 0.02 -1.03 1.47 113.55 114.86 1pjz h SER 36 Ca -0.04 0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.77 1pjz h SER 36 Cb 0.82 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 1pjz h SER 36 CO -0.17 0.05 -0.69 -0.25 -1.14 0.00 0.00 176.83 174.63 1pjz h TRP 37 N 0.22 0.70 0.21 3.45 7.01 0.15 0.95 115.95 128.63 1pjz h TRP 37 Ca 0.55 -0.29 -0.01 0.00 2.11 0.00 0.00 58.89 61.25 1pjz h TRP 37 Cb 1.73 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 28.68 1pjz h TRP 37 CO -0.00 1.06 -0.10 -0.07 -2.79 0.00 0.00 178.44 176.54 1pjz h LEU 38 N 0.37 -0.24 -1.23 0.65 3.38 0.61 0.14 115.31 118.99 1pjz h LEU 38 Ca -0.02 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.12 1pjz h LEU 38 Cb 1.27 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 42.00 1pjz h LEU 38 CO 0.13 -0.11 0.60 0.77 0.09 0.00 0.00 178.44 179.91 1pjz h SER 39 N -0.39 0.66 0.76 -0.43 4.64 -0.56 0.74 113.55 118.98 1pjz h SER 39 Ca -0.03 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 1pjz h SER 39 Cb 0.21 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1pjz h SER 39 CO 0.05 0.29 -0.21 1.23 -0.87 0.00 0.00 176.83 177.32 1pjz h GLY 40 N 0.68 0.00 1.05 -0.77 0.00 -0.80 -2.98 103.07 100.25 1pjz h GLY 40 Ca 0.50 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.49 1pjz h GLY 40 CO -0.26 0.00 -1.66 1.46 0.00 0.00 0.00 176.54 176.08 1pjz h GLN 41 N 0.00 0.37 0.00 4.80 1.08 0.32 -3.49 115.11 118.19 1pjz h GLN 41 Ca -0.00 -0.63 0.00 0.00 -1.45 0.00 0.00 58.65 56.56 1pjz h GLN 41 Cb 0.65 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 1pjz h GLN 41 CO 0.03 1.27 0.00 0.41 -0.95 0.00 0.00 178.83 179.59 1pjz n GLY 42 N 1.79 0.49 3.32 3.46 0.00 0.95 -5.04 105.19 110.17 1pjz n GLY 42 Ca -0.22 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.09 1.58 -1.17 1.61 1.51 -1.15 -2.80 117.35 116.83 1pjz s TYR 43 Ca 0.00 -1.38 -0.12 0.00 -1.01 0.00 0.00 57.07 54.56 1pjz s TYR 43 Cb 0.00 -0.83 0.21 0.00 -0.11 0.00 0.00 41.96 41.23 1pjz s TYR 43 CO 0.00 -0.54 1.31 -1.01 -1.11 0.00 0.00 175.55 174.20 1pjz s HIS 44 N -3.64 3.81 -0.34 2.71 3.76 -0.64 -4.59 115.29 116.37 1pjz s HIS 44 Ca 0.36 -2.36 -0.29 0.00 -0.15 0.00 0.00 55.06 52.62 1pjz s HIS 44 Cb 0.05 -4.13 -0.01 0.00 1.11 0.00 0.00 32.58 29.60 1pjz s HIS 44 CO 0.17 -1.22 1.64 0.08 -0.85 0.00 0.00 174.74 174.56 1pjz s VAL 45 N 0.44 3.66 -0.24 -0.90 1.01 -1.26 -1.15 120.40 121.96 1pjz s VAL 45 Ca 0.38 0.68 -0.04 0.00 0.00 0.00 0.00 61.98 63.01 1pjz s VAL 45 Cb -0.06 -3.84 0.09 0.00 0.00 0.00 0.00 36.38 32.57 1pjz s VAL 45 CO -0.03 -0.50 0.15 0.54 0.00 0.00 0.00 175.10 175.25 1pjz s VAL 46 N 6.09 -0.14 0.09 2.92 0.11 -0.02 -0.67 120.40 128.78 1pjz s VAL 46 Ca 0.72 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 59.31 1pjz s VAL 46 Cb -0.20 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 1pjz s VAL 46 CO 0.32 -0.51 0.09 0.61 -3.33 0.00 0.00 175.10 172.28 1pjz n GLY 47 N 5.27 3.54 3.30 6.54 0.00 0.84 -2.89 105.19 121.78 1pjz n GLY 47 Ca -0.06 -1.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.25 1.67 -0.09 4.61 0.00 -0.34 -1.23 121.76 124.13 1pjz s ALA 48 Ca 0.10 -1.68 0.03 0.00 0.00 0.00 0.00 51.96 50.41 1pjz s ALA 48 Cb 0.00 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.52 1pjz s ALA 48 CO 0.07 -0.22 -0.16 -2.00 0.00 0.00 0.00 175.76 173.45 1pjz s GLU 49 N -3.84 2.21 -1.15 0.00 -6.30 -0.33 -0.64 118.70 108.65 1pjz s GLU 49 Ca 0.25 -0.58 -0.07 0.00 -2.50 0.00 0.00 54.97 52.07 1pjz s GLU 49 Cb 0.05 -1.78 0.26 0.00 0.00 0.00 0.00 34.13 32.66 1pjz s GLU 49 CO 0.06 0.05 1.53 1.28 0.02 0.00 0.00 175.26 178.20 1pjz n LEU 50 N 3.83 6.25 -3.69 2.70 7.99 -1.21 0.37 117.00 133.23 1pjz n LEU 50 Ca -0.21 -4.98 -0.11 0.00 -0.01 0.00 0.00 56.01 50.71 1pjz n LEU 50 Cb 0.52 -1.39 -0.10 0.00 -0.11 0.00 0.00 43.42 42.34 1pjz n LEU 50 CO 0.26 1.48 0.08 -0.44 -1.51 0.00 0.00 177.39 177.26 1pjz s SER 51 N -0.22 -0.54 -0.25 -1.43 0.01 0.52 -4.97 113.70 106.82 1pjz s SER 51 Ca 0.34 0.94 -0.06 0.00 1.31 0.00 0.00 55.95 58.48 1pjz s SER 51 Cb 0.03 0.84 -0.16 0.00 0.21 0.00 0.00 66.02 66.94 1pjz s SER 51 CO 0.04 -0.19 -0.19 -0.62 0.41 0.00 0.00 173.24 172.69 1pjz n GLU 52 N 4.08 0.63 -0.17 12.44 4.71 -1.26 -3.33 120.64 137.73 1pjz n GLU 52 Ca -0.22 0.23 -0.10 0.00 -0.01 0.00 0.00 57.16 57.07 1pjz n GLU 52 Cb 0.56 -1.54 0.00 0.00 -1.01 0.00 0.00 31.44 29.45 1pjz n GLU 52 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pjz h ALA 53 N -0.40 0.66 -0.04 0.62 0.00 -1.98 -1.34 119.26 116.79 1pjz h ALA 53 Ca -0.60 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 53.96 1pjz h ALA 53 Cb 1.77 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1pjz h ALA 53 CO -0.21 0.44 -0.37 0.00 0.00 0.00 0.00 179.25 179.12 1pjz h ALA 54 N 0.94 1.32 0.51 0.00 0.00 -1.98 -0.04 119.26 120.02 1pjz h ALA 54 Ca 0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1pjz h ALA 54 Cb 0.47 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1pjz h ALA 54 CO 0.02 0.49 -0.25 0.28 0.00 0.00 0.00 179.25 179.80 1pjz h VAL 55 N 0.07 0.42 -0.90 0.00 2.07 -1.45 0.36 116.25 116.82 1pjz h VAL 55 Ca 0.01 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1pjz h VAL 55 Cb 0.68 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1pjz h VAL 55 CO 0.05 0.05 0.59 -0.33 0.02 0.00 0.00 177.57 177.94 1pjz h GLU 56 N -0.90 1.19 -0.56 1.57 4.39 -1.16 -1.36 114.58 117.76 1pjz h GLU 56 Ca -0.07 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.50 1pjz h GLU 56 Cb 0.60 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1pjz h GLU 56 CO 0.12 0.80 0.13 -0.09 -1.16 0.00 0.00 179.01 178.80 1pjz h ARG 57 N 1.22 0.87 -0.30 2.33 2.43 -0.90 -0.19 114.38 119.84 1pjz h ARG 57 Ca 0.33 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1pjz h ARG 57 Cb -0.12 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1pjz h ARG 57 CO -0.07 0.78 0.11 1.88 -1.51 0.00 0.00 179.97 181.17 1pjz h TYR 58 N 0.83 0.47 -0.06 2.20 -1.99 0.62 0.34 116.97 119.39 1pjz h TYR 58 Ca 0.18 -0.04 -0.09 0.00 2.00 0.00 0.00 58.73 60.78 1pjz h TYR 58 Cb 0.31 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.89 1pjz h TYR 58 CO 0.02 0.47 -0.38 0.74 -0.00 0.00 0.00 178.16 179.01 1pjz h PHE 59 N 0.34 0.14 -0.00 4.88 0.04 -1.02 0.15 116.94 121.47 1pjz h PHE 59 Ca 0.10 -0.03 -0.23 0.00 2.80 0.00 0.00 57.97 60.60 1pjz h PHE 59 Cb 0.20 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.33 1pjz h PHE 59 CO -0.00 0.48 -0.96 0.00 -0.60 0.00 0.00 178.31 177.23 1pjz h THR 60 N 0.10 1.37 -0.10 -1.55 1.03 -0.69 0.47 112.91 113.55 1pjz h THR 60 Ca 0.01 -2.39 -0.15 0.00 -0.01 0.00 0.00 66.41 63.87 1pjz h THR 60 Cb 0.72 2.40 0.01 0.00 -1.07 0.00 0.00 68.15 70.21 1pjz h THR 60 CO 0.05 0.72 -0.54 -0.33 -0.01 0.00 0.00 175.52 175.41 1pjz h GLU 61 N 0.27 0.54 -0.01 0.00 4.39 -0.08 -3.25 114.58 116.44 1pjz h GLU 61 Ca -0.09 -0.45 -0.22 0.00 0.34 0.00 0.00 59.36 58.94 1pjz h GLU 61 Cb 1.60 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 1pjz h GLU 61 CO 0.17 1.08 -0.92 0.00 -1.16 0.00 0.00 179.01 178.18 1pjz h ARG 62 N 0.14 0.38 -0.80 2.33 3.08 -0.76 -3.48 114.38 115.27 1pjz h ARG 62 Ca -0.04 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1pjz h ARG 62 Cb 1.19 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1pjz h ARG 62 CO 0.11 1.08 0.00 0.41 -1.07 0.00 0.00 179.97 180.50 1pjz n GLY 63 N 0.91 0.87 0.81 0.04 0.00 0.16 -4.86 105.19 103.11 1pjz n GLY 63 Ca -0.06 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.28 1pjz n GLY 63 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pjz n GLU 64 N -0.57 -2.09 0.00 1.61 1.02 -0.81 -5.03 120.64 114.77 1pjz n GLU 64 Ca 0.00 1.63 0.00 0.00 -0.02 0.00 0.00 57.16 58.77 1pjz n GLU 64 Cb 0.48 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1pjz n GLU 64 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pjz n GLN 65 N -2.24 0.00 -1.52 3.49 6.02 -1.26 -5.13 117.38 116.74 1pjz n GLN 65 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.68 1pjz n GLN 65 Cb 0.27 0.00 0.23 0.00 1.02 0.00 0.00 30.24 31.75 1pjz n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1pjz s PRO 66 N 0.00 -0.51 -0.50 -1.09 0.04 -1.26 -4.99 135.00 126.69 1pjz s PRO 66 Ca 0.00 -0.34 -0.22 0.00 0.04 0.00 0.00 61.00 60.48 1pjz s PRO 66 Cb 0.00 -1.70 0.04 0.00 0.04 0.00 0.00 34.50 32.88 1pjz s PRO 66 CO 0.00 -3.19 0.76 -1.58 0.04 0.00 0.00 177.00 173.02 1pjz s HIS 67 N -3.50 2.96 -0.19 0.56 2.46 0.16 -4.94 115.29 112.79 1pjz s HIS 67 Ca 0.74 -0.17 -0.12 0.00 0.47 0.00 0.00 55.06 55.98 1pjz s HIS 67 Cb -0.05 -3.70 -0.05 0.00 -0.13 0.00 0.00 32.58 28.65 1pjz s HIS 67 CO 0.55 -1.10 0.24 0.42 -2.47 0.00 0.00 174.74 172.38 1pjz s ILE 68 N 3.20 5.33 0.15 0.89 -1.09 -1.26 -1.34 121.20 127.07 1pjz s ILE 68 Ca 0.24 0.40 0.05 0.00 -2.23 0.00 0.00 60.65 59.11 1pjz s ILE 68 Cb -0.15 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1pjz s ILE 68 CO 0.17 0.37 -0.12 -0.89 -1.23 0.00 0.00 174.94 173.24 1pjz s THR 69 N 0.72 1.28 -0.25 2.92 2.01 -0.04 -4.97 115.64 117.31 1pjz s THR 69 Ca 0.13 -1.96 0.02 0.00 0.31 0.00 0.00 61.69 60.18 1pjz s THR 69 Cb -0.13 -1.76 0.06 0.00 0.01 0.00 0.00 72.50 70.69 1pjz s THR 69 CO 0.03 -0.63 -0.07 -0.55 -0.69 0.00 0.00 174.62 172.72 1pjz s SER 70 N -2.95 4.15 -0.44 3.53 0.15 -1.26 0.17 113.70 117.04 1pjz s SER 70 Ca 0.15 -1.33 -0.12 0.00 0.70 0.00 0.00 55.95 55.34 1pjz s SER 70 Cb -0.00 -1.35 0.07 0.00 -1.71 0.00 0.00 66.02 63.03 1pjz s SER 70 CO 0.02 -0.23 0.32 0.00 1.20 0.00 0.00 173.24 174.55 1pjz s GLN 71 N 1.25 2.81 5.12 5.44 1.03 0.12 -4.92 119.66 130.51 1pjz s GLN 71 Ca -0.06 -1.37 0.00 0.00 0.04 0.00 0.00 55.36 53.97 1pjz s GLN 71 Cb -0.19 -3.95 0.00 0.00 0.03 0.00 0.00 33.01 28.89 1pjz s GLN 71 CO -0.06 -0.97 0.00 0.41 -2.54 0.00 0.00 175.29 172.13 1pjz n GLY 72 N 5.07 0.92 1.42 2.60 0.00 -1.26 -0.28 105.19 113.65 1pjz n GLY 72 Ca -0.11 0.51 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 10.31 3.41 -3.91 1.61 -0.08 -1.26 -5.00 116.55 121.63 1pjz n ASP 73 Ca 0.00 -3.80 -0.13 0.00 -1.51 0.00 0.00 54.79 49.36 1pjz n ASP 73 Cb 0.00 -0.60 -0.08 0.00 2.34 0.00 0.00 41.12 42.78 1pjz n ASP 73 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1pjz s PHE 74 N -3.38 1.02 0.22 -0.67 0.08 0.61 -5.06 117.98 110.80 1pjz s PHE 74 Ca 0.48 -1.24 0.08 0.00 0.12 0.00 0.00 56.93 56.36 1pjz s PHE 74 Cb 0.42 -0.32 -0.05 0.00 -0.57 0.00 0.00 43.02 42.49 1pjz s PHE 74 CO -0.00 -0.83 -0.13 0.21 -0.10 0.00 0.00 175.22 174.37 1pjz s LYS 75 N -3.88 1.38 -0.21 0.44 2.20 -1.26 0.14 119.74 118.55 1pjz s LYS 75 Ca 0.34 -1.63 -0.04 0.00 -0.36 0.00 0.00 55.97 54.28 1pjz s LYS 75 Cb 0.03 -1.15 0.09 0.00 -1.51 0.00 0.00 37.83 35.29 1pjz s LYS 75 CO 0.14 0.17 0.17 0.54 -0.36 0.00 0.00 175.35 176.01 1pjz s VAL 76 N -2.96 -0.21 -0.48 4.02 0.11 0.13 -1.20 120.40 119.81 1pjz s VAL 76 Ca 0.24 -0.25 -0.12 0.00 -2.93 0.00 0.00 61.98 58.92 1pjz s VAL 76 Cb -0.00 -0.70 0.11 0.00 -1.53 0.00 0.00 36.38 34.25 1pjz s VAL 76 CO 0.08 -0.33 0.38 -0.47 -3.33 0.00 0.00 175.10 171.43 1pjz s TYR 77 N 2.23 3.34 0.05 1.54 5.04 0.10 -0.86 117.35 128.79 1pjz s TYR 77 Ca 0.06 -1.52 0.00 0.00 -2.44 0.00 0.00 57.07 53.17 1pjz s TYR 77 Cb -0.16 -3.42 -0.04 0.00 0.35 0.00 0.00 41.96 38.69 1pjz s TYR 77 CO -0.16 -0.94 0.16 0.00 -1.34 0.00 0.00 175.55 173.27 1pjz s ALA 78 N 1.48 3.86 0.27 3.97 0.00 -0.45 -1.13 121.76 129.75 1pjz s ALA 78 Ca 0.04 -0.87 0.12 0.00 0.00 0.00 0.00 51.96 51.25 1pjz s ALA 78 Cb -0.26 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.09 1pjz s ALA 78 CO 0.02 0.79 -0.20 0.00 0.00 0.00 0.00 175.76 176.36 1pjz s ALA 79 N -1.43 2.69 -0.14 0.00 0.00 -1.19 -0.67 121.76 121.03 1pjz s ALA 79 Ca 0.31 -1.84 0.27 0.00 0.00 0.00 0.00 51.96 50.71 1pjz s ALA 79 Cb -0.13 -0.26 0.82 0.00 0.00 0.00 0.00 23.12 23.55 1pjz s ALA 79 CO 0.24 0.29 1.78 -1.00 0.00 0.00 0.00 175.76 177.07 1pjz h PRO 80 N 2.41 0.00 0.02 0.00 0.13 -1.98 -3.27 132.00 129.32 1pjz h PRO 80 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1pjz h PRO 80 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pjz h PRO 80 CO 0.58 0.05 -0.01 0.78 -0.23 0.00 0.00 178.00 179.17 1pjz h GLY 81 N 2.96 -0.03 -1.99 1.56 0.00 -2.01 -3.47 103.07 100.07 1pjz h GLY 81 Ca -0.00 0.01 -0.53 0.00 0.00 0.00 0.00 47.33 46.82 1pjz h GLY 81 CO 0.01 -0.01 -0.63 -1.50 0.00 0.00 0.00 176.54 174.41 1pjz s ILE 82 N -2.49 1.58 -0.84 2.60 -1.16 -1.23 -5.02 121.20 114.64 1pjz s ILE 82 Ca -0.15 -2.05 -0.00 0.00 -0.51 0.00 0.00 60.65 57.94 1pjz s ILE 82 Cb -0.02 -2.74 0.35 0.00 0.61 0.00 0.00 42.46 40.66 1pjz s ILE 82 CO 0.55 -0.10 1.77 -0.62 -2.81 0.00 0.00 174.94 173.73 1pjz n GLU 83 N -0.73 3.73 -3.82 3.50 4.71 0.15 -3.14 120.64 125.04 1pjz n GLU 83 Ca -0.04 -4.11 -0.36 0.00 -0.01 0.00 0.00 57.16 52.64 1pjz n GLU 83 Cb 0.66 -2.33 -0.13 0.00 -1.01 0.00 0.00 31.44 28.63 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 -4.85 3.79 -0.51 -3.67 -1.16 -1.25 -0.11 121.20 113.43 1pjz s ILE 84 Ca 0.47 -0.47 -0.13 0.00 -0.51 0.00 0.00 60.65 60.01 1pjz s ILE 84 Cb 0.34 -2.81 0.12 0.00 0.61 0.00 0.00 42.46 40.72 1pjz s ILE 84 CO -0.28 0.30 0.43 -1.66 -2.81 0.00 0.00 174.94 170.92 1pjz s TRP 85 N 1.52 3.32 0.36 3.50 1.48 -0.37 -3.52 118.94 125.24 1pjz s TRP 85 Ca 0.05 -1.53 -0.27 0.00 -1.06 0.00 0.00 56.10 53.29 1pjz s TRP 85 Cb -0.15 -3.65 -0.09 0.00 -1.16 0.00 0.00 33.47 28.42 1pjz s TRP 85 CO 0.00 -1.00 1.18 0.00 -4.06 0.00 0.00 176.95 173.07 1pjz n GLY 87 N 0.78 1.09 3.34 0.00 0.00 0.16 0.02 105.19 110.57 1pjz n GLY 87 Ca 0.02 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 1pjz n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pjz s ASP 88 N -4.00 2.08 -0.32 1.61 2.15 -0.34 -0.35 116.67 117.50 1pjz s ASP 88 Ca 0.00 -1.16 0.03 0.00 0.43 0.00 0.00 52.55 51.86 1pjz s ASP 88 Cb 0.00 -0.04 0.09 0.00 -0.30 0.00 0.00 42.92 42.66 1pjz s ASP 88 CO 0.00 -0.41 0.01 0.12 -0.17 0.00 0.00 175.17 174.72 1pjz s PHE 89 N -3.28 3.61 0.00 -5.34 2.19 -1.26 -4.52 117.98 109.39 1pjz s PHE 89 Ca 0.26 -2.76 0.00 0.00 0.33 0.00 0.00 56.93 54.75 1pjz s PHE 89 Cb 0.04 -2.66 0.00 0.00 -1.31 0.00 0.00 43.02 39.09 1pjz s PHE 89 CO 0.08 -0.93 0.00 1.19 1.83 0.00 0.00 175.22 177.39 1pjz n PHE 90 N 4.33 0.00 0.00 10.12 3.72 -1.26 -5.04 117.46 129.33 1pjz n PHE 90 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1pjz n PHE 90 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 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 1.57 -1.94 4.37 0.00 -1.26 -5.09 120.51 118.15 1pjz n ALA 91 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1pjz n ALA 91 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 1pjz n ALA 91 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1pjz s LEU 92 N -3.27 2.77 -0.58 0.00 -0.00 -1.26 -5.05 118.68 111.29 1pjz s LEU 92 Ca 0.00 0.14 0.04 0.00 -0.00 0.00 0.00 54.13 54.31 1pjz s LEU 92 Cb 0.00 -2.23 0.15 0.00 -0.00 0.00 0.00 46.19 44.11 1pjz s LEU 92 CO 0.00 -2.58 0.35 -0.89 -0.00 0.00 0.00 176.35 173.23 1pjz s THR 93 N -3.76 2.40 0.04 5.48 2.01 -1.26 -4.91 115.64 115.65 1pjz s THR 93 Ca 0.73 -3.55 0.14 0.00 0.31 0.00 0.00 61.69 59.31 1pjz s THR 93 Cb -0.04 -2.63 0.14 0.00 0.01 0.00 0.00 72.50 69.98 1pjz s THR 93 CO 0.51 -0.92 1.32 0.00 -0.69 0.00 0.00 174.62 174.84 1pjz h ALA 94 N 6.04 1.20 -0.02 7.40 0.00 -1.91 0.35 119.26 132.32 1pjz h ALA 94 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1pjz h ALA 94 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1pjz h ALA 94 CO 0.65 -0.20 -0.12 -0.09 0.00 0.00 0.00 179.25 179.49 1pjz h ARG 95 N 0.00 0.12 -0.12 0.00 2.43 0.65 0.47 114.38 117.93 1pjz h ARG 95 Ca 0.00 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 1pjz h ARG 95 Cb 0.61 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1pjz h ARG 95 CO 0.00 0.76 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.59 1pjz h ASP 96 N -0.49 0.38 -0.23 -3.80 5.19 -0.62 -0.23 116.42 116.61 1pjz h ASP 96 Ca -0.01 -0.53 -0.02 0.00 -0.62 0.00 0.00 57.03 55.85 1pjz h ASP 96 Cb 0.78 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 1pjz h ASP 96 CO 0.02 0.84 0.07 0.16 -3.12 0.00 0.00 179.24 177.22 1pjz h ILE 97 N -0.08 1.19 0.00 0.35 3.07 -1.30 -3.31 117.51 117.43 1pjz h ILE 97 Ca 0.01 -0.59 0.00 0.00 1.55 0.00 0.00 64.86 65.83 1pjz h ILE 97 Cb 0.76 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 1pjz h ILE 97 CO 0.04 0.19 0.00 0.61 -1.05 0.00 0.00 178.15 177.94 1pjz n GLY 98 N -0.63 -2.58 5.11 0.16 0.00 0.16 -4.66 105.19 102.76 1pjz n GLY 98 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1pjz n GLY 98 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pjz n HIS 99 N -1.65 0.00 -3.83 1.61 8.25 -0.10 -4.27 115.22 115.23 1pjz n HIS 99 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1pjz n HIS 99 Cb 0.00 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 30.96 1pjz n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pjz n ALA 101 N 3.48 0.00 -3.61 0.00 0.00 -0.29 -1.83 120.51 118.26 1pjz n ALA 101 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.33 1pjz n ALA 101 Cb 0.56 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 -0.67 -1.90 -3.63 0.00 0.00 -0.64 -0.77 120.51 112.90 1pjz n ALA 102 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 53.44 52.71 1pjz n ALA 102 Cb 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 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 -3.25 -0.99 -0.26 0.00 -0.12 -0.42 -1.09 117.98 111.86 1pjz s PHE 103 Ca 0.16 1.92 -0.15 0.00 -0.05 0.00 0.00 56.93 58.81 1pjz s PHE 103 Cb -0.02 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 1pjz s PHE 103 CO 0.03 -0.49 0.37 -0.47 -0.05 0.00 0.00 175.22 174.61 1pjz s TYR 104 N 1.76 3.27 -0.12 3.49 5.04 0.19 -1.03 117.35 129.95 1pjz s TYR 104 Ca -0.09 0.44 -0.06 0.00 -2.44 0.00 0.00 57.07 54.92 1pjz s TYR 104 Cb -0.06 -2.55 -0.04 0.00 0.35 0.00 0.00 41.96 39.67 1pjz s TYR 104 CO -0.19 -0.18 0.11 -0.51 -1.34 0.00 0.00 175.55 173.44 1pjz s ASP 105 N 1.51 6.11 0.24 4.32 1.11 0.11 -3.54 116.67 126.52 1pjz s ASP 105 Ca 0.15 0.38 0.08 0.00 0.18 0.00 0.00 52.55 53.34 1pjz s ASP 105 Cb -0.15 -1.94 -0.04 0.00 1.07 0.00 0.00 42.92 41.86 1pjz s ASP 105 CO 0.09 0.39 0.10 -0.60 1.18 0.00 0.00 175.17 176.33 1pjz s ARG 106 N -0.90 2.65 -0.67 8.23 3.52 -1.26 0.12 118.95 130.64 1pjz s ARG 106 Ca 0.14 -1.16 -0.28 0.00 -0.13 0.00 0.00 55.73 54.31 1pjz s ARG 106 Cb -0.12 -2.42 -0.12 0.00 -1.56 0.00 0.00 34.95 30.73 1pjz s ARG 106 CO 0.03 0.41 2.52 0.00 -0.81 0.00 0.00 175.30 177.45 1pjz n ALA 107 N -0.85 0.61 0.03 6.12 0.00 0.22 -4.46 120.51 122.18 1pjz n ALA 107 Ca -0.08 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1pjz n ALA 107 Cb 0.57 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.14 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 14.04 3.00 0.08 0.00 0.00 -1.26 -4.82 120.51 131.55 1pjz n ALA 108 Ca 0.47 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.93 1pjz n ALA 108 Cb 0.36 0.15 0.37 0.00 0.00 0.00 0.00 19.45 20.34 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 0.34 0.00 0.00 -0.00 -1.92 -0.89 114.93 112.45 1pjz h MET 109 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 1pjz h MET 109 Cb 0.26 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.81 1pjz h MET 109 CO 0.00 0.42 0.06 -0.84 -0.00 0.00 0.00 176.91 176.55 1pjz h ILE 110 N 0.33 0.00 0.00 -0.10 -2.65 -1.91 -2.18 117.51 110.99 1pjz h ILE 110 Ca 0.07 0.00 -0.01 0.00 1.03 0.00 0.00 64.86 65.95 1pjz h ILE 110 Cb 0.32 0.49 -0.00 0.00 -2.05 0.00 0.00 36.82 35.58 1pjz h ILE 110 CO 0.01 0.00 -0.35 0.00 0.03 0.00 0.00 178.15 177.85 1pjz h ALA 111 N 1.85 0.01 -2.11 0.16 0.00 -1.39 1.45 119.26 119.23 1pjz h ALA 111 Ca 0.00 -0.36 -0.43 0.00 0.00 0.00 0.00 54.91 54.12 1pjz h ALA 111 Cb 0.12 0.32 0.22 0.00 0.00 0.00 0.00 17.79 18.45 1pjz h ALA 111 CO 0.00 0.32 -0.03 1.47 0.00 0.00 0.00 179.25 181.01 1pjz n LEU 112 N -4.67 -1.79 -4.79 0.00 -0.00 -0.82 -4.81 117.00 100.12 1pjz n LEU 112 Ca -0.06 -0.21 -0.29 0.00 -0.00 0.00 0.00 56.01 55.45 1pjz n LEU 112 Cb 0.20 -1.25 0.14 0.00 -0.00 0.00 0.00 43.42 42.51 1pjz n LEU 112 CO 0.08 -3.38 0.72 -2.16 -0.00 0.00 0.00 177.39 172.65 1pjz s PRO 113 N -4.38 1.03 0.03 1.47 0.04 -1.26 -4.68 135.00 127.24 1pjz s PRO 113 Ca 0.69 0.24 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 1pjz s PRO 113 Cb -0.26 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1pjz s PRO 113 CO 0.66 -2.27 1.19 0.00 0.04 0.00 0.00 177.00 176.63 1pjz h ALA 114 N -1.55 -0.75 -0.93 8.56 0.00 -1.94 1.15 119.26 123.81 1pjz h ALA 114 Ca -0.50 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 54.53 1pjz h ALA 114 Cb 1.33 0.57 -0.16 0.00 0.00 0.00 0.00 17.79 19.53 1pjz h ALA 114 CO 0.60 -0.78 -0.31 -3.47 0.00 0.00 0.00 179.25 175.29 1pjz n ASP 115 N -3.48 -0.49 -0.27 0.00 2.03 -1.26 0.19 116.55 113.27 1pjz n ASP 115 Ca -0.03 1.61 -0.06 0.00 0.52 0.00 0.00 54.79 56.83 1pjz n ASP 115 Cb 0.15 -0.42 0.06 0.00 -0.72 0.00 0.00 41.12 40.19 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 1.07 -0.81 -0.67 4.05 -1.73 -1.46 114.93 115.38 1pjz h MET 116 Ca 0.38 -0.15 0.07 0.00 -0.28 0.00 0.00 59.70 59.71 1pjz h MET 116 Cb 0.61 -0.20 -0.06 0.00 -0.80 0.00 0.00 31.60 31.15 1pjz h MET 116 CO -0.94 0.83 0.49 0.00 0.23 0.00 0.00 176.91 177.52 1pjz h ARG 117 N 1.05 0.85 -0.30 0.39 3.08 1.12 0.52 114.38 121.10 1pjz h ARG 117 Ca 0.26 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 1pjz h ARG 117 Cb 0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1pjz h ARG 117 CO -0.03 0.56 -0.00 0.93 -1.07 0.00 0.00 179.97 180.36 1pjz h GLU 118 N 0.88 0.53 0.00 0.04 5.08 -0.08 -0.88 114.58 120.14 1pjz h GLU 118 Ca 0.36 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1pjz h GLU 118 Cb 0.21 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1pjz h GLU 118 CO -0.19 0.67 -0.10 0.00 -1.00 0.00 0.00 179.01 178.39 1pjz h ARG 119 N 0.32 0.00 0.00 2.33 2.47 -0.50 -1.19 114.38 117.82 1pjz h ARG 119 Ca 0.08 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1pjz h ARG 119 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1pjz h ARG 119 CO 0.02 0.10 -0.00 -0.92 0.56 0.00 0.00 179.97 179.73 1pjz h TYR 120 N 0.00 -0.01 -0.36 3.04 5.03 0.50 -0.99 116.97 124.19 1pjz h TYR 120 Ca -0.00 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1pjz h TYR 120 Cb 0.45 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 1pjz h TYR 120 CO 0.00 0.80 0.19 -0.39 -1.32 0.00 0.00 178.16 177.44 1pjz h VAL 121 N -0.83 1.14 -0.10 1.81 -1.51 -1.03 0.95 116.25 116.69 1pjz h VAL 121 Ca -0.00 -0.38 -0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1pjz h VAL 121 Cb 0.81 0.74 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1pjz h VAL 121 CO 0.00 0.15 0.05 0.06 -1.23 0.00 0.00 177.57 176.60 1pjz h GLN 122 N 0.45 0.14 -0.92 5.19 3.07 -1.32 0.21 115.11 121.93 1pjz h GLN 122 Ca 0.13 -0.02 0.07 0.00 0.09 0.00 0.00 58.65 58.92 1pjz h GLN 122 Cb 0.06 -0.03 -0.06 0.00 0.08 0.00 0.00 27.48 27.54 1pjz h GLN 122 CO -0.02 0.17 0.59 0.45 0.09 0.00 0.00 178.83 180.12 1pjz h HIS 123 N 0.07 1.05 0.34 0.06 3.86 -0.94 0.35 115.15 119.93 1pjz h HIS 123 Ca 0.03 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1pjz h HIS 123 Cb 0.08 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.20 1pjz h HIS 123 CO -0.04 0.54 -0.16 1.25 0.86 0.00 0.00 177.93 180.38 1pjz h LEU 124 N 1.03 -0.38 -1.69 2.43 7.12 -0.28 -1.44 115.31 122.10 1pjz h LEU 124 Ca 0.40 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.42 1pjz h LEU 124 Cb 0.22 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1pjz h LEU 124 CO -0.15 -0.19 0.39 1.05 -0.13 0.00 0.00 178.44 179.40 1pjz h GLU 125 N -0.62 0.00 0.25 1.25 -0.00 -0.41 1.27 114.58 116.33 1pjz h GLU 125 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.30 1pjz h GLU 125 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.10 1pjz h GLU 125 CO 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 179.01 178.97 1pjz h ALA 126 N 1.20 -0.34 -0.18 1.06 0.00 -0.05 -3.24 119.26 117.72 1pjz h ALA 126 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pjz h ALA 126 Cb 0.77 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1pjz h ALA 126 CO 0.00 -0.32 0.00 1.47 0.00 0.00 0.00 179.25 180.40 1pjz n LEU 127 N -5.00 1.02 -4.79 0.00 -0.00 -0.19 -4.88 117.00 103.16 1pjz n LEU 127 Ca -0.05 -0.50 -0.30 0.00 -0.00 0.00 0.00 56.01 55.16 1pjz n LEU 127 Cb 0.16 -0.12 0.18 0.00 -0.00 0.00 0.00 43.42 43.64 1pjz n LEU 127 CO 0.13 0.25 0.76 -0.04 -0.00 0.00 0.00 177.39 178.49 1pjz s MET 128 N -1.75 0.29 0.00 1.47 -1.94 0.42 0.37 119.30 118.16 1pjz s MET 128 Ca 0.14 -0.10 0.00 0.00 -1.71 0.00 0.00 55.69 54.02 1pjz s MET 128 Cb 0.07 -1.78 0.00 0.00 2.01 0.00 0.00 34.83 35.14 1pjz s MET 128 CO 0.10 -2.70 0.00 -0.35 -0.01 0.00 0.00 175.02 172.06 1pjz n PRO 129 N -4.04 -0.08 -0.13 2.03 -0.04 -1.24 -3.90 135.00 127.59 1pjz n PRO 129 Ca 0.12 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.33 1pjz n PRO 129 Cb 0.59 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.90 0.59 -3.62 0.54 6.02 -0.57 -4.86 117.38 114.58 1pjz n GLN 130 Ca 0.00 0.21 -0.29 0.00 -0.01 0.00 0.00 57.00 56.91 1pjz n GLN 130 Cb 0.00 -1.47 -0.15 0.00 1.02 0.00 0.00 30.24 29.64 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 -2.49 0.94 0.14 -1.58 0.00 -0.71 -4.19 121.76 113.87 1pjz s ALA 131 Ca -0.36 -1.21 -0.16 0.00 0.00 0.00 0.00 51.96 50.23 1pjz s ALA 131 Cb 0.13 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.85 1pjz s ALA 131 CO 0.51 -1.59 0.42 0.00 0.00 0.00 0.00 175.76 175.09 1pjz s SER 133 N -2.82 5.98 0.21 0.00 0.15 0.05 0.39 113.70 117.67 1pjz s SER 133 Ca 0.04 -1.13 -0.19 0.00 0.70 0.00 0.00 55.95 55.37 1pjz s SER 133 Cb 0.01 -2.12 -0.08 0.00 -1.71 0.00 0.00 66.02 62.13 1pjz s SER 133 CO -0.10 -0.51 0.69 -0.83 1.20 0.00 0.00 173.24 173.69 1pjz s GLY 134 N 1.99 2.58 -0.30 9.45 0.00 0.17 -1.30 107.32 119.92 1pjz s GLY 134 Ca 0.04 0.11 -0.03 0.00 0.00 0.00 0.00 44.72 44.84 1pjz s GLY 134 CO 0.07 0.45 0.17 -2.27 0.00 0.00 0.00 173.10 171.53 1pjz s LEU 135 N -1.98 0.43 0.15 0.66 0.20 -0.20 0.31 118.68 118.25 1pjz s LEU 135 Ca 0.42 -1.29 -0.24 0.00 0.69 0.00 0.00 54.13 53.70 1pjz s LEU 135 Cb -0.16 -0.17 -0.08 0.00 -0.43 0.00 0.00 46.19 45.35 1pjz s LEU 135 CO 0.21 -0.41 0.75 -0.22 -0.29 0.00 0.00 176.35 176.38 1pjz s LEU 136 N 2.03 4.59 -0.23 -0.68 2.96 0.12 0.06 118.68 127.52 1pjz s LEU 136 Ca 0.10 1.59 0.01 0.00 -0.22 0.00 0.00 54.13 55.62 1pjz s LEU 136 Cb -0.16 -3.24 0.04 0.00 0.50 0.00 0.00 46.19 43.33 1pjz s LEU 136 CO -0.31 0.22 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.17 1pjz s ILE 137 N -1.14 2.29 0.42 6.68 1.09 0.12 0.03 121.20 130.69 1pjz s ILE 137 Ca 0.35 -1.25 0.07 0.00 -1.10 0.00 0.00 60.65 58.72 1pjz s ILE 137 Cb -0.23 -2.17 -0.06 0.00 -1.06 0.00 0.00 42.46 38.95 1pjz s ILE 137 CO 0.25 0.23 0.09 0.42 -0.10 0.00 0.00 174.94 175.83 1pjz s THR 138 N 1.22 2.06 0.25 2.92 -4.23 0.19 0.72 115.64 118.77 1pjz s THR 138 Ca -0.02 -1.85 0.02 0.00 -1.18 0.00 0.00 61.69 58.66 1pjz s THR 138 Cb -0.17 -2.91 -0.05 0.00 1.34 0.00 0.00 72.50 70.71 1pjz s THR 138 CO -0.08 0.00 0.05 -0.76 -0.54 0.00 0.00 174.62 173.29 1pjz s LEU 139 N -3.82 1.93 0.00 4.79 2.01 -1.26 0.26 118.68 122.58 1pjz s LEU 139 Ca 0.35 -1.31 0.00 0.00 0.01 0.00 0.00 54.13 53.19 1pjz s LEU 139 Cb 0.06 -0.12 0.00 0.00 0.01 0.00 0.00 46.19 46.14 1pjz s LEU 139 CO 0.19 -0.63 0.00 -0.62 1.01 0.00 0.00 176.35 176.30 1pjz n GLU 140 N -0.45 0.00 0.00 1.70 1.02 -0.30 -3.49 120.64 119.12 1pjz n GLU 140 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1pjz n GLU 140 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.07 1pjz n GLU 140 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1pjz n TYR 141 N 0.00 0.00 -0.35 -0.32 4.01 -1.26 -4.40 117.16 114.84 1pjz n TYR 141 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1pjz n TYR 141 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 1pjz n TYR 141 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1pjz n ASP 142 N -0.49 -0.08 0.00 7.72 5.75 -1.26 -4.62 116.55 123.56 1pjz n ASP 142 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 1pjz n ASP 142 Cb 0.00 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1pjz n ASP 142 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pjz n GLN 143 N 0.32 0.00 -2.54 0.11 10.64 -1.26 -4.12 117.38 120.53 1pjz n GLN 143 Ca 0.05 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 55.02 1pjz n GLN 143 Cb 0.03 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.42 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 4.43 0.00 2.61 0.00 -1.26 -4.26 120.51 122.03 1pjz n ALA 144 Ca 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 53.44 49.58 1pjz n ALA 144 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.33 0.00 -4.69 0.00 -0.00 -1.26 -5.12 117.00 105.61 1pjz n LEU 145 Ca 0.27 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.90 1pjz n LEU 145 Cb 0.73 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 44.08 1pjz n LEU 145 CO 0.31 0.00 0.15 -0.22 -0.00 0.00 0.00 177.39 177.62 1pjz s LEU 146 N 0.00 4.20 -0.61 1.47 2.96 -1.26 -4.82 118.68 120.62 1pjz s LEU 146 Ca 0.00 0.65 -0.39 0.00 -0.22 0.00 0.00 54.13 54.17 1pjz s LEU 146 Cb 0.00 -2.61 -0.18 0.00 0.50 0.00 0.00 46.19 43.90 1pjz s LEU 146 CO 0.00 -0.07 2.30 -0.62 -1.32 0.00 0.00 176.35 176.65 1pjz n GLU 147 N 4.24 0.21 -0.47 1.98 1.02 -1.26 -4.03 120.64 122.33 1pjz n GLU 147 Ca -0.07 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1pjz n GLU 147 Cb 0.51 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 7.03 -2.62 3.63 0.62 0.00 -1.26 -4.93 105.19 107.66 1pjz n GLY 148 Ca 0.55 -0.83 -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 -2.80 3.91 0.29 1.61 0.04 -1.26 -4.76 135.00 132.04 1pjz s PRO 149 Ca 0.00 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.07 1pjz s PRO 149 Cb 0.00 -3.90 -0.09 0.00 0.04 0.00 0.00 34.50 30.55 1pjz s PRO 149 CO 0.00 -1.13 1.08 -1.25 0.04 0.00 0.00 177.00 175.74 1pjz s PRO 150 N 4.21 4.61 -0.15 0.56 0.04 -1.26 -4.51 135.00 138.50 1pjz s PRO 150 Ca 0.58 1.74 0.03 0.00 0.04 0.00 0.00 61.00 63.39 1pjz s PRO 150 Cb -0.18 -3.12 0.30 0.00 0.04 0.00 0.00 34.50 31.54 1pjz s PRO 150 CO 0.24 0.20 1.23 1.19 0.04 0.00 0.00 177.00 179.89 1pjz n PHE 151 N 1.07 1.10 -3.34 0.56 3.01 0.50 -4.86 117.46 115.49 1pjz n PHE 151 Ca -0.00 -0.74 -0.21 0.00 1.01 0.00 0.00 57.45 57.51 1pjz n PHE 151 Cb 0.46 -0.43 -0.05 0.00 -0.01 0.00 0.00 39.48 39.45 1pjz n PHE 151 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1pjz n SER 152 N 0.01 -0.27 -3.95 4.37 3.41 -1.23 -4.53 113.62 111.43 1pjz n SER 152 Ca 0.19 -0.70 -0.55 0.00 -0.26 0.00 0.00 58.87 57.55 1pjz n SER 152 Cb 0.84 -0.88 -0.08 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.72 0.00 -1.56 -3.33 3.14 -1.26 -4.87 118.33 107.73 1pjz n VAL 153 Ca -0.05 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.03 1pjz n VAL 153 Cb 0.32 -0.32 0.09 0.00 -1.06 0.00 0.00 33.84 32.87 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 1.92 2.08 0.13 1.45 0.04 -1.26 -4.98 135.00 134.38 1pjz s PRO 154 Ca 0.86 0.63 0.02 0.00 0.04 0.00 0.00 61.00 62.55 1pjz s PRO 154 Cb -1.22 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 31.29 1pjz s PRO 154 CO 0.64 -1.62 1.30 0.37 0.04 0.00 0.00 177.00 177.73 1pjz h GLN 155 N -1.09 0.17 -0.68 4.56 -0.00 -1.97 -3.05 115.11 113.05 1pjz h GLN 155 Ca -0.47 -0.23 -0.05 0.00 -0.00 0.00 0.00 58.65 57.90 1pjz h GLN 155 Cb 1.27 0.08 -0.03 0.00 0.00 0.00 0.00 27.48 28.79 1pjz h GLN 155 CO 0.59 1.03 0.24 0.00 0.00 0.00 0.00 178.83 180.69 1pjz h THR 156 N 0.08 1.24 0.25 2.39 1.03 -1.97 0.25 112.91 116.18 1pjz h THR 156 Ca -0.06 -0.81 -0.01 0.00 -0.01 0.00 0.00 66.41 65.52 1pjz h THR 156 Cb 1.68 0.47 0.00 0.00 -1.07 0.00 0.00 68.15 69.23 1pjz h THR 156 CO 0.15 0.32 -0.12 -0.25 -0.01 0.00 0.00 175.52 175.61 1pjz h TRP 157 N 1.00 -0.31 -0.79 0.00 7.01 -1.95 0.52 115.95 121.43 1pjz h TRP 157 Ca 0.23 -0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.35 1pjz h TRP 157 Cb 0.25 0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 27.35 1pjz h TRP 157 CO 0.02 -0.06 0.52 -0.07 -2.79 0.00 0.00 178.44 176.06 1pjz h LEU 158 N -0.52 0.51 -0.28 0.65 3.38 -1.38 0.91 115.31 118.58 1pjz h LEU 158 Ca -0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1pjz h LEU 158 Cb 0.38 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1pjz h LEU 158 CO 0.06 0.27 -0.10 -0.74 0.09 0.00 0.00 178.44 178.01 1pjz h HIS 159 N 0.54 0.00 0.09 1.13 -0.00 -0.39 2.10 115.15 118.63 1pjz h HIS 159 Ca 0.39 0.00 -0.28 0.00 -0.00 0.00 0.00 60.37 60.47 1pjz h HIS 159 Cb 0.73 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.13 1pjz h HIS 159 CO -0.00 0.10 -1.40 0.07 -0.00 0.00 0.00 177.93 176.70 1pjz h ARG 160 N 0.00 0.20 0.00 5.26 0.11 0.57 -3.32 114.38 117.20 1pjz h ARG 160 Ca -0.00 -0.34 -0.00 0.00 0.10 0.00 0.00 59.98 59.73 1pjz h ARG 160 Cb 0.98 0.13 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 1pjz h ARG 160 CO 0.01 1.08 -0.28 1.55 0.10 0.00 0.00 179.97 182.43 1pjz n VAL 161 N -3.43 1.31 0.00 0.08 3.14 0.19 -4.57 118.33 115.05 1pjz n VAL 161 Ca -0.12 0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.59 1pjz n VAL 161 Cb 1.02 -1.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.01 1pjz n VAL 161 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 1pjz n MET 162 N -3.76 0.00 -3.46 1.45 1.56 0.69 -4.18 117.12 109.43 1pjz n MET 162 Ca -0.04 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 56.96 1pjz n MET 162 Cb 0.14 -1.18 -0.07 0.00 2.15 0.00 0.00 33.22 34.26 1pjz n MET 162 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1pjz s SER 163 N -1.81 5.90 0.00 6.12 0.15 -0.16 -4.33 113.70 119.56 1pjz s SER 163 Ca 0.00 -1.80 0.00 0.00 0.70 0.00 0.00 55.95 54.85 1pjz s SER 163 Cb 0.00 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 1pjz s SER 163 CO 0.00 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.31 1pjz n GLY 164 N 5.05 0.00 0.00 9.45 0.00 -1.26 -4.91 105.19 113.52 1pjz n GLY 164 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1pjz n GLY 164 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pjz n ASN 165 N 0.00 0.00 -3.72 1.61 4.13 -1.26 -5.11 115.26 110.91 1pjz n ASN 165 Ca 0.00 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.13 1pjz n ASN 165 Cb 0.00 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.11 1pjz n ASN 165 CO 0.00 0.00 0.00 -1.66 0.28 0.00 0.00 177.26 175.88 1pjz s TRP 166 N 0.00 -0.30 -0.87 3.10 -2.14 -1.26 -0.63 118.94 116.84 1pjz s TRP 166 Ca 0.00 0.75 -0.23 0.00 2.66 0.00 0.00 56.10 59.28 1pjz s TRP 166 Cb 0.00 -0.00 0.07 0.00 -3.10 0.00 0.00 33.47 30.44 1pjz s TRP 166 CO 0.00 -0.24 1.23 -1.21 -2.66 0.00 0.00 176.95 174.07 1pjz s GLU 167 N 1.45 3.42 0.11 3.25 0.41 -0.32 -4.41 118.70 122.60 1pjz s GLU 167 Ca -0.07 -1.06 -0.31 0.00 -0.41 0.00 0.00 54.97 53.12 1pjz s GLU 167 Cb -0.11 -4.78 -0.07 0.00 -1.78 0.00 0.00 34.13 27.39 1pjz s GLU 167 CO -0.08 -2.00 1.31 0.14 -0.49 0.00 0.00 175.26 174.14 1pjz s VAL 168 N 4.34 3.53 0.12 2.63 -7.23 -1.26 -1.05 120.40 121.48 1pjz s VAL 168 Ca 0.35 1.13 0.10 0.00 -1.81 0.00 0.00 61.98 61.75 1pjz s VAL 168 Cb -0.06 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 1pjz s VAL 168 CO -0.01 0.10 -0.26 0.28 -0.31 0.00 0.00 175.10 174.91 1pjz s THR 169 N 0.89 2.14 0.14 5.32 -1.32 0.17 -4.87 115.64 118.13 1pjz s THR 169 Ca 0.61 -1.68 -0.30 0.00 -1.21 0.00 0.00 61.69 59.11 1pjz s THR 169 Cb -0.34 -1.90 -0.07 0.00 -1.51 0.00 0.00 72.50 68.68 1pjz s THR 169 CO 0.31 0.09 1.03 -0.75 -2.21 0.00 0.00 174.62 173.10 1pjz s LYS 170 N -1.94 4.65 0.19 7.08 2.36 -1.26 -0.42 119.74 130.40 1pjz s LYS 170 Ca 0.12 1.58 -0.23 0.00 -2.55 0.00 0.00 55.97 54.89 1pjz s LYS 170 Cb -0.10 -3.33 0.05 0.00 -1.05 0.00 0.00 37.83 33.41 1pjz s LYS 170 CO 0.05 0.15 0.91 0.54 1.55 0.00 0.00 175.35 178.55 1pjz s VAL 171 N -0.11 0.00 0.00 4.02 0.11 0.46 -4.78 120.40 120.10 1pjz s VAL 171 Ca 0.48 -0.75 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1pjz s VAL 171 Cb -0.26 -2.11 0.00 0.00 -1.53 0.00 0.00 36.38 32.48 1pjz s VAL 171 CO 0.32 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.70 1pjz n GLY 172 N -0.49 -0.97 3.40 6.54 0.00 -1.25 0.32 105.19 112.73 1pjz n GLY 172 Ca -0.05 -2.21 -0.13 0.00 0.00 0.00 0.00 46.02 43.63 1pjz n GLY 172 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pjz s GLY 173 N 0.00 -0.46 0.36 -0.02 0.00 0.21 -4.86 107.32 102.55 1pjz s GLY 173 Ca 0.00 0.52 0.07 0.00 0.00 0.00 0.00 44.72 45.32 1pjz s GLY 173 CO 0.00 0.22 0.39 -0.86 0.00 0.00 0.00 173.10 172.85 1pjz s GLN 174 N -2.87 2.82 -1.82 2.90 0.00 -1.26 -0.75 119.66 118.68 1pjz s GLN 174 Ca -0.03 -1.24 0.00 0.00 -0.00 0.00 0.00 55.36 54.09 1pjz s GLN 174 Cb -0.00 -2.59 0.00 0.00 0.00 0.00 0.00 33.01 30.41 1pjz s GLN 174 CO -0.05 0.00 0.00 -3.47 0.00 0.00 0.00 175.29 171.77 1pjz n ASP 175 N -1.53 -4.70 -3.95 12.60 2.03 -1.21 -4.82 116.55 114.97 1pjz n ASP 175 Ca 0.01 0.39 -0.38 0.00 0.52 0.00 0.00 54.79 55.33 1pjz n ASP 175 Cb 0.59 -4.19 -0.03 0.00 -0.72 0.00 0.00 41.12 36.77 1pjz n ASP 175 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1pjz n THR 176 N -2.38 3.89 -0.11 5.18 5.66 -1.11 -4.83 114.28 120.58 1pjz n THR 176 Ca -0.18 -5.47 -0.10 0.00 -3.05 0.00 0.00 64.05 55.25 1pjz n THR 176 Cb 0.59 -2.23 -0.03 0.00 -1.55 0.00 0.00 70.33 67.11 1pjz n THR 176 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1pjz h LEU 177 N 5.46 0.53 -5.35 1.09 7.12 -1.90 -3.22 115.31 119.04 1pjz h LEU 177 Ca 0.19 -0.27 -0.59 0.00 0.13 0.00 0.00 57.88 57.33 1pjz h LEU 177 Cb 0.71 -0.14 0.02 0.00 -0.53 0.00 0.00 40.66 40.72 1pjz h LEU 177 CO 1.04 0.67 3.32 0.00 -0.13 0.00 0.00 178.44 183.34 1pjz n HIS 178 N -4.59 2.23 0.00 1.25 1.44 -1.26 -2.92 115.22 111.37 1pjz n HIS 178 Ca -0.02 -2.68 0.00 0.00 -2.01 0.00 0.00 57.72 53.01 1pjz n HIS 178 Cb 0.23 -2.22 0.00 0.00 0.12 0.00 0.00 29.99 28.12 1pjz n HIS 178 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1pjz n SER 179 N 4.33 0.00 -4.68 4.39 2.88 -1.22 -4.98 113.62 114.33 1pjz n SER 179 Ca 0.64 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.79 1pjz n SER 179 Cb 0.23 0.17 -0.06 0.00 -0.75 0.00 0.00 64.21 63.80 1pjz n SER 179 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pjz s SER 180 N -1.36 6.68 0.10 -3.46 0.15 -1.15 -3.98 113.70 110.68 1pjz s SER 180 Ca 0.00 0.82 -0.18 0.00 0.70 0.00 0.00 55.95 57.29 1pjz s SER 180 Cb 0.00 -2.32 -0.07 0.00 -1.71 0.00 0.00 66.02 61.92 1pjz s SER 180 CO 0.00 -0.15 1.57 0.00 1.20 0.00 0.00 173.24 175.86 1pjz h ALA 181 N 7.19 0.37 0.00 5.45 0.00 -1.95 -1.83 119.26 128.49 1pjz h ALA 181 Ca -0.36 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1pjz h ALA 181 Cb 1.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1pjz h ALA 181 CO 0.76 0.05 0.32 0.00 0.00 0.00 0.00 179.25 180.38 1pjz h ARG 182 N 0.27 0.00 -0.15 0.00 3.08 -1.96 0.33 114.38 115.95 1pjz h ARG 182 Ca 0.08 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.96 1pjz h ARG 182 Cb 0.33 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.39 1pjz h ARG 182 CO 0.01 0.00 -0.59 0.78 -1.07 0.00 0.00 179.97 179.10 1pjz h GLY 183 N 0.00 0.72 1.40 0.04 0.00 -1.64 -0.86 103.07 102.72 1pjz h GLY 183 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 47.33 46.35 1pjz h GLY 183 CO 0.00 0.88 -0.43 1.04 0.00 0.00 0.00 176.54 178.02 1pjz n LEU 184 N -4.12 0.69 -0.06 3.11 7.99 0.85 0.09 117.00 125.55 1pjz n LEU 184 Ca -0.07 0.31 -0.12 0.00 -0.01 0.00 0.00 56.01 56.12 1pjz n LEU 184 Cb 0.64 -0.23 -0.11 0.00 -0.11 0.00 0.00 43.42 43.61 1pjz n LEU 184 CO 0.49 -0.07 0.34 0.11 -1.51 0.00 0.00 177.39 176.75 1pjz h LYS 185 N 0.00 -0.00 0.10 3.23 1.79 -0.66 -3.36 116.57 117.66 1pjz h LYS 185 Ca 0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.17 1pjz h LYS 185 Cb 0.72 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1pjz h LYS 185 CO 0.00 0.83 -1.49 0.00 -1.08 0.00 0.00 179.45 177.71 1pjz h ALA 186 N -0.13 0.31 -0.70 3.86 0.00 -1.27 -3.49 119.26 117.84 1pjz h ALA 186 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1pjz h ALA 186 Cb 0.84 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1pjz h ALA 186 CO 0.00 1.18 0.00 0.41 0.00 0.00 0.00 179.25 180.84 1pjz n GLY 187 N 1.63 0.75 0.13 0.00 0.00 0.74 -4.86 105.19 103.58 1pjz n GLY 187 Ca -0.15 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 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 0.59 0.54 0.99 -0.00 -0.62 -3.47 115.31 113.33 1pjz h LEU 188 Ca 0.00 -0.69 -0.16 0.00 -0.00 0.00 0.00 57.88 57.02 1pjz h LEU 188 Cb 0.23 -0.19 -0.07 0.00 -0.00 0.00 0.00 40.66 40.64 1pjz h LEU 188 CO 0.00 1.55 -0.15 -1.84 -0.00 0.00 0.00 178.44 178.01 1pjz n GLU 189 N -3.58 -1.64 0.00 1.13 -0.00 -1.26 -4.63 120.64 110.67 1pjz n GLU 189 Ca -0.15 0.64 0.00 0.00 -0.00 0.00 0.00 57.16 57.65 1pjz n GLU 189 Cb 1.06 -4.75 0.00 0.00 -0.00 0.00 0.00 31.44 27.75 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 -0.75 0.00 -3.50 3.44 1.74 -1.26 -4.98 116.66 111.35 1pjz n ARG 190 Ca -0.08 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.87 1pjz n ARG 190 Cb 0.43 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.83 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 -0.02 0.97 -0.07 5.56 0.23 -1.26 -4.85 119.30 119.87 1pjz s MET 191 Ca 0.00 -0.09 -0.24 0.00 -1.03 0.00 0.00 55.69 54.33 1pjz s MET 191 Cb 0.00 0.45 -0.03 0.00 -1.53 0.00 0.00 34.83 33.72 1pjz s MET 191 CO 0.00 -0.37 0.73 0.34 -2.03 0.00 0.00 175.02 173.69 1pjz s ASP 192 N -1.89 7.02 -0.27 -1.18 -1.08 -1.26 -2.74 116.67 115.26 1pjz s ASP 192 Ca -0.02 1.23 -0.03 0.00 -0.52 0.00 0.00 52.55 53.20 1pjz s ASP 192 Cb -0.01 -2.43 0.02 0.00 -1.46 0.00 0.00 42.92 39.05 1pjz s ASP 192 CO -0.02 -0.15 -0.01 -0.70 0.52 0.00 0.00 175.17 174.81 1pjz s GLU 193 N 0.92 2.88 0.22 4.34 2.12 0.07 -1.15 118.70 128.10 1pjz s GLU 193 Ca 0.39 -0.96 -0.00 0.00 0.36 0.00 0.00 54.97 54.75 1pjz s GLU 193 Cb -0.18 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 1pjz s GLU 193 CO 0.19 -0.43 0.41 -1.01 -0.54 0.00 0.00 175.26 173.87 1pjz s HIS 194 N 1.37 3.48 0.07 5.30 3.76 0.14 -0.62 115.29 128.80 1pjz s HIS 194 Ca 0.00 0.33 -0.10 0.00 -0.15 0.00 0.00 55.06 55.15 1pjz s HIS 194 Cb -0.17 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.67 1pjz s HIS 194 CO -0.02 0.36 0.21 0.08 -0.85 0.00 0.00 174.74 174.52 1pjz s VAL 195 N -1.91 0.13 -0.09 -0.90 1.01 0.15 0.54 120.40 119.32 1pjz s VAL 195 Ca 0.38 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1pjz s VAL 195 Cb -0.11 -1.19 0.04 0.00 0.00 0.00 0.00 36.38 35.13 1pjz s VAL 195 CO 0.29 -0.57 0.20 -0.31 0.00 0.00 0.00 175.10 174.71 1pjz s TYR 196 N -3.42 -0.25 -0.55 5.22 2.02 0.10 -0.40 117.35 120.07 1pjz s TYR 196 Ca 0.01 0.64 -0.16 0.00 -0.37 0.00 0.00 57.07 57.20 1pjz s TYR 196 Cb 0.03 -0.01 0.13 0.00 -0.40 0.00 0.00 41.96 41.70 1pjz s TYR 196 CO -0.09 -0.20 0.53 0.08 -1.57 0.00 0.00 175.55 174.30 1pjz s VAL 197 N 1.22 5.17 -0.45 0.71 1.01 0.44 0.13 120.40 128.62 1pjz s VAL 197 Ca -0.09 -1.46 -0.15 0.00 0.00 0.00 0.00 61.98 60.28 1pjz s VAL 197 Cb -0.11 -4.36 0.06 0.00 0.00 0.00 0.00 36.38 31.97 1pjz s VAL 197 CO -0.07 -0.90 0.36 -1.48 0.00 0.00 0.00 175.10 173.00 1pjz s LEU 198 N 1.70 5.44 -0.58 3.92 2.34 0.15 0.47 118.68 132.11 1pjz s LEU 198 Ca 0.04 -1.22 -0.28 0.00 0.06 0.00 0.00 54.13 52.73 1pjz s LEU 198 Cb -0.29 -2.16 0.01 0.00 -0.56 0.00 0.00 46.19 43.19 1pjz s LEU 198 CO 0.03 -0.58 1.44 -0.70 -1.06 0.00 0.00 176.35 175.47 1pjz s GLU 199 N 1.63 3.24 -0.57 1.48 2.12 -0.21 0.46 118.70 126.85 1pjz s GLU 199 Ca 0.04 0.39 -0.27 0.00 0.36 0.00 0.00 54.97 55.50 1pjz s GLU 199 Cb -0.23 -4.15 -0.02 0.00 0.26 0.00 0.00 34.13 29.99 1pjz s GLU 199 CO 0.07 -2.02 1.83 0.50 -0.54 0.00 0.00 175.26 175.10 1pjz s ARG 200 N 5.65 2.76 0.00 4.30 3.52 0.16 -1.18 118.95 134.17 1pjz s ARG 200 Ca 0.52 0.73 0.31 0.00 -0.13 0.00 0.00 55.73 57.16 1pjz s ARG 200 Cb -0.11 -4.35 1.86 0.00 -1.56 0.00 0.00 34.95 30.79 1pjz s ARG 200 CO 0.24 -2.57 2.18 1.33 -0.81 0.00 0.00 175.30 175.67