#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pjz n GLN 2 N 0.00 0.00 -0.64 -0.41 0.00 -1.26 -4.55 117.38 110.52 1pjz n GLN 2 Ca 0.00 0.00 0.48 0.00 0.00 0.00 0.00 57.00 57.48 1pjz n GLN 2 Cb 0.00 0.00 0.73 0.00 0.00 0.00 0.00 30.24 30.97 1pjz n GLN 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1pjz n SER 3 N -0.02 0.00 -3.41 2.61 7.64 -1.26 -2.01 113.62 117.17 1pjz n SER 3 Ca 0.00 0.89 -0.27 0.00 1.01 0.00 0.00 58.87 60.49 1pjz n SER 3 Cb 0.00 -0.44 -0.11 0.00 -1.01 0.00 0.00 64.21 62.65 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 -4.65 0.73 -0.53 1.43 1.03 -1.26 -5.03 118.70 110.43 1pjz s GLU 4 Ca -0.04 -1.70 0.05 0.00 0.03 0.00 0.00 54.97 53.30 1pjz s GLU 4 Cb 0.24 -1.32 0.18 0.00 -0.80 0.00 0.00 34.13 32.43 1pjz s GLU 4 CO 0.80 -1.30 0.44 1.55 -1.33 0.00 0.00 175.26 175.42 1pjz n VAL 5 N 3.43 0.07 -2.12 1.83 3.14 -0.85 -4.84 118.33 118.99 1pjz n VAL 5 Ca 0.21 -4.11 0.00 0.00 -2.96 0.00 0.00 64.34 57.49 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 2.25 -4.69 -0.34 6.55 4.13 -0.79 -3.24 115.26 119.13 1pjz n ASN 6 Ca 0.26 0.47 0.22 0.00 1.68 0.00 0.00 54.58 57.20 1pjz n ASN 6 Cb 0.44 -1.01 0.45 0.00 -1.54 0.00 0.00 39.78 38.11 1pjz n ASN 6 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1pjz h LYS 7 N 3.44 0.42 -0.29 3.52 3.11 -1.89 1.93 116.57 126.80 1pjz h LYS 7 Ca 0.00 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.75 1pjz h LYS 7 Cb 0.28 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.40 1pjz h LYS 7 CO 0.00 0.28 -0.09 0.38 -2.81 0.00 0.00 179.45 177.20 1pjz h ASP 8 N 0.43 0.46 0.29 4.20 3.04 -1.92 0.41 116.42 123.33 1pjz h ASP 8 Ca 0.69 -0.11 -0.01 0.00 -3.24 0.00 0.00 57.03 54.35 1pjz h ASP 8 Cb 1.51 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 39.68 1pjz h ASP 8 CO -0.51 0.60 -0.14 0.25 -2.04 0.00 0.00 179.24 177.40 1pjz h LEU 9 N 0.45 -0.33 -2.08 0.15 7.12 0.27 -1.68 115.31 119.22 1pjz h LEU 9 Ca 0.09 0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.20 1pjz h LEU 9 Cb 0.44 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 1pjz h LEU 9 CO 0.02 -0.15 0.27 0.06 -0.13 0.00 0.00 178.44 178.52 1pjz h GLN 10 N -0.56 0.00 0.00 1.25 3.07 -0.99 -0.23 115.11 117.65 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 0.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.86 1pjz h GLN 10 CO 0.07 0.00 0.00 0.94 0.09 0.00 0.00 178.83 179.93 1pjz n GLN 11 N -4.14 0.00 -0.18 0.06 -0.06 0.15 -0.80 117.38 112.40 1pjz n GLN 11 Ca 0.05 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 54.99 1pjz n GLN 11 Cb 0.44 -0.84 -0.01 0.00 -4.06 0.00 0.00 30.24 25.77 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 -1.01 -0.59 3.69 -1.99 -1.26 0.51 116.97 116.33 1pjz h TYR 12 Ca 0.00 0.07 0.12 0.00 2.00 0.00 0.00 58.73 60.92 1pjz h TYR 12 Cb 0.00 0.52 -0.11 0.00 2.00 0.00 0.00 36.73 39.14 1pjz h TYR 12 CO 0.00 -0.39 -0.18 2.35 -0.00 0.00 0.00 178.16 179.94 1pjz h TRP 13 N -0.20 -0.40 -0.08 4.88 2.91 -1.17 2.10 115.95 123.99 1pjz h TRP 13 Ca 0.21 0.06 -0.01 0.00 1.13 0.00 0.00 58.89 60.27 1pjz h TRP 13 Cb 0.55 0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.47 1pjz h TRP 13 CO -0.63 -0.28 -0.01 1.03 -1.03 0.00 0.00 178.44 177.52 1pjz h SER 14 N -0.03 0.10 -0.62 2.65 0.87 0.15 0.18 113.55 116.85 1pjz h SER 14 Ca 0.28 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1pjz h SER 14 Cb 0.46 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1pjz h SER 14 CO -0.62 0.13 0.00 -0.24 -0.53 0.00 0.00 176.83 175.57 1pjz n SER 15 N -4.46 3.56 -0.05 6.23 2.88 0.39 -4.33 113.62 117.85 1pjz n SER 15 Ca -0.02 -2.09 -0.08 0.00 -1.33 0.00 0.00 58.87 55.36 1pjz n SER 15 Cb 0.14 -0.45 -0.03 0.00 -0.75 0.00 0.00 64.21 63.12 1pjz n SER 15 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1pjz n LEU 16 N 1.26 1.61 -1.74 2.46 4.77 0.61 -4.98 117.00 121.00 1pjz n LEU 16 Ca 0.21 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.34 1pjz n LEU 16 Cb 0.59 -0.59 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1pjz n LEU 16 CO 0.16 -0.33 0.03 -3.20 -1.33 0.00 0.00 177.39 172.71 1pjz n ASN 17 N -4.09 -3.95 -4.43 -1.43 2.85 -0.25 -4.94 115.26 99.02 1pjz n ASN 17 Ca -0.13 -0.17 -0.40 0.00 -0.11 0.00 0.00 54.58 53.77 1pjz n ASN 17 Cb 0.40 -2.78 0.02 0.00 1.24 0.00 0.00 39.78 38.66 1pjz n ASN 17 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1pjz n VAL 18 N -3.87 1.75 -1.08 3.44 0.31 -1.26 -4.74 118.33 112.88 1pjz n VAL 18 Ca -0.05 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.43 1pjz n VAL 18 Cb 0.56 -0.54 -0.01 0.00 -0.91 0.00 0.00 33.84 32.94 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 -1.33 0.74 -2.31 2.52 3.14 -1.26 -4.72 118.33 115.11 1pjz n VAL 19 Ca 0.11 -0.41 -0.40 0.00 -2.96 0.00 0.00 64.34 60.68 1pjz n VAL 19 Cb 0.44 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.19 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 -0.82 3.00 0.00 1.45 0.04 -1.26 -2.03 135.00 135.38 1pjz s PRO 20 Ca 0.49 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1pjz s PRO 20 Cb -0.57 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 29.72 1pjz s PRO 20 CO 0.50 -2.32 0.00 0.41 0.04 0.00 0.00 177.00 175.64 1pjz n GLY 21 N 5.48 0.84 3.23 0.56 0.00 -0.83 -4.98 105.19 109.48 1pjz n GLY 21 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1pjz n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjz n ALA 22 N -0.74 -3.50 -2.62 4.61 0.00 -0.86 -2.81 120.51 114.59 1pjz n ALA 22 Ca 0.00 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 1pjz n ALA 22 Cb 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 17.96 1pjz n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pjz s ARG 23 N -2.08 3.98 -0.30 0.00 1.81 -0.71 -1.30 118.95 120.35 1pjz s ARG 23 Ca 0.53 0.96 -0.07 0.00 -1.72 0.00 0.00 55.73 55.43 1pjz s ARG 23 Cb -0.32 -3.78 0.01 0.00 -0.45 0.00 0.00 34.95 30.41 1pjz s ARG 23 CO 0.70 -1.03 0.09 0.08 -0.68 0.00 0.00 175.30 174.47 1pjz s VAL 24 N 3.88 4.04 0.37 3.52 1.01 0.34 -1.64 120.40 131.91 1pjz s VAL 24 Ca 0.47 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1pjz s VAL 24 Cb -0.11 -3.09 -0.07 0.00 0.00 0.00 0.00 36.38 33.10 1pjz s VAL 24 CO 0.20 0.06 0.75 -0.22 0.00 0.00 0.00 175.10 175.88 1pjz s LEU 25 N 1.51 3.92 -0.42 3.92 2.96 -0.57 -0.15 118.68 129.86 1pjz s LEU 25 Ca 0.03 1.16 0.03 0.00 -0.22 0.00 0.00 54.13 55.13 1pjz s LEU 25 Cb -0.17 -4.01 0.16 0.00 0.50 0.00 0.00 46.19 42.66 1pjz s LEU 25 CO 0.03 -0.32 0.30 -0.69 -1.32 0.00 0.00 176.35 174.35 1pjz s VAL 26 N -2.22 0.54 -0.28 1.68 1.01 -1.24 -1.56 120.40 118.34 1pjz s VAL 26 Ca 0.52 -2.47 -0.29 0.00 0.00 0.00 0.00 61.98 59.74 1pjz s VAL 26 Cb -0.10 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 1pjz s VAL 26 CO 0.26 -1.12 1.34 -2.16 0.00 0.00 0.00 175.10 173.42 1pjz s PRO 27 N 0.29 3.92 0.00 2.72 0.04 -1.24 -0.65 135.00 140.07 1pjz s PRO 27 Ca 0.26 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1pjz s PRO 27 Cb -0.07 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1pjz s PRO 27 CO -0.12 -1.12 0.00 1.47 0.04 0.00 0.00 177.00 177.28 1pjz n LEU 28 N 7.67 0.00 -0.05 -3.56 -0.00 -0.52 -4.10 117.00 116.45 1pjz n LEU 28 Ca 0.15 0.42 -0.01 0.00 -0.00 0.00 0.00 56.01 56.57 1pjz n LEU 28 Cb 0.46 -0.85 -0.13 0.00 -0.00 0.00 0.00 43.42 42.90 1pjz n LEU 28 CO 0.63 0.00 -0.88 0.00 -0.00 0.00 0.00 177.39 177.13 1pjz n GLY 30 N 1.81 -0.11 0.00 0.00 0.00 -1.25 -4.70 105.19 100.94 1pjz n GLY 30 Ca -0.16 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1pjz n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pjz n LYS 31 N 1.27 0.00 0.05 1.61 4.81 -1.26 -4.98 118.16 119.66 1pjz n LYS 31 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1pjz n LYS 31 Cb 0.03 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.08 1pjz n LYS 31 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1pjz n SER 32 N 0.00 -0.82 0.04 3.14 3.41 -1.26 -4.95 113.62 113.18 1pjz n SER 32 Ca 0.00 0.35 -0.09 0.00 -0.26 0.00 0.00 58.87 58.87 1pjz n SER 32 Cb 0.00 1.01 0.05 0.00 -0.26 0.00 0.00 64.21 65.01 1pjz n SER 32 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1pjz h GLN 33 N 0.00 0.44 0.67 4.33 1.08 -1.90 0.38 115.11 120.10 1pjz h GLN 33 Ca 0.00 -0.32 -0.03 0.00 -1.45 0.00 0.00 58.65 56.85 1pjz h GLN 33 Cb 0.00 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1pjz h GLN 33 CO 0.00 0.94 -0.40 0.22 -0.95 0.00 0.00 178.83 178.64 1pjz h ASP 34 N 0.32 -1.01 -0.01 1.46 3.58 -1.92 0.17 116.42 119.01 1pjz h ASP 34 Ca -0.01 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1pjz h ASP 34 Cb 1.20 0.29 -0.00 0.00 1.72 0.00 0.00 39.33 42.55 1pjz h ASP 34 CO 0.11 -0.63 -0.01 0.00 -2.88 0.00 0.00 179.24 175.83 1pjz h MET 35 N -1.01 0.02 -0.99 0.28 -0.00 -1.93 -1.42 114.93 109.88 1pjz h MET 35 Ca -0.09 -0.01 0.27 0.00 -0.00 0.00 0.00 59.70 59.88 1pjz h MET 35 Cb 0.81 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.36 1pjz h MET 35 CO 0.09 0.51 0.69 0.77 -0.00 0.00 0.00 176.91 178.98 1pjz h SER 36 N -0.47 0.11 0.04 -0.10 0.02 -0.25 0.54 113.55 113.45 1pjz h SER 36 Ca 0.00 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1pjz h SER 36 Cb 0.51 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1pjz h SER 36 CO 0.00 0.03 -0.02 -0.25 -1.14 0.00 0.00 176.83 175.45 1pjz h TRP 37 N 0.10 -0.05 0.08 3.45 7.01 -0.49 0.21 115.95 126.27 1pjz h TRP 37 Ca 0.49 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.49 1pjz h TRP 37 Cb 1.76 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.82 1pjz h TRP 37 CO -0.00 0.60 -0.17 -0.07 -2.79 0.00 0.00 178.44 176.02 1pjz h LEU 38 N -0.90 -0.49 -0.49 0.65 4.07 0.34 0.06 115.31 118.55 1pjz h LEU 38 Ca -0.01 0.05 0.04 0.00 0.08 0.00 0.00 57.88 58.04 1pjz h LEU 38 Cb 0.67 0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.55 1pjz h LEU 38 CO 0.01 -0.19 0.26 0.28 -1.08 0.00 0.00 178.44 177.72 1pjz h SER 39 N -0.27 0.39 -0.34 -0.43 0.02 -0.21 0.13 113.55 112.83 1pjz h SER 39 Ca -0.01 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.06 1pjz h SER 39 Cb 0.26 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1pjz h SER 39 CO -0.07 0.27 0.57 1.23 -1.14 0.00 0.00 176.83 177.69 1pjz h GLY 40 N 0.51 0.00 0.72 -3.77 0.00 -0.22 1.51 103.07 101.81 1pjz h GLY 40 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 1pjz h GLY 40 CO -0.14 0.00 -1.40 -0.18 0.00 0.00 0.00 176.54 174.82 1pjz n GLN 41 N -3.29 0.63 0.00 4.80 -0.06 -0.02 -4.98 117.38 114.46 1pjz n GLN 41 Ca 0.06 0.07 0.00 0.00 -2.00 0.00 0.00 57.00 55.13 1pjz n GLN 41 Cb 0.71 -1.74 0.00 0.00 -4.06 0.00 0.00 30.24 25.15 1pjz n GLN 41 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1pjz n GLY 42 N 1.28 0.68 3.57 1.69 0.00 0.51 -4.98 105.19 107.94 1pjz n GLY 42 Ca -0.05 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.68 2.45 -1.07 1.61 1.51 -1.04 -1.97 117.35 118.15 1pjz s TYR 43 Ca 0.00 -0.46 -0.15 0.00 -1.01 0.00 0.00 57.07 55.45 1pjz s TYR 43 Cb 0.00 -1.37 0.17 0.00 -0.11 0.00 0.00 41.96 40.64 1pjz s TYR 43 CO 0.00 0.56 1.24 -1.01 -1.11 0.00 0.00 175.55 175.23 1pjz s HIS 44 N -2.56 3.45 -0.42 2.71 3.76 -0.42 -4.34 115.29 117.47 1pjz s HIS 44 Ca 0.33 -1.90 -0.29 0.00 -0.15 0.00 0.00 55.06 53.05 1pjz s HIS 44 Cb 0.01 -4.22 0.01 0.00 1.11 0.00 0.00 32.58 29.48 1pjz s HIS 44 CO 0.17 -1.36 1.44 0.08 -0.85 0.00 0.00 174.74 174.22 1pjz s VAL 45 N 1.63 3.86 -0.31 -0.90 1.01 -1.26 -0.50 120.40 123.93 1pjz s VAL 45 Ca 0.36 0.87 -0.03 0.00 0.00 0.00 0.00 61.98 63.18 1pjz s VAL 45 Cb -0.05 -4.19 0.11 0.00 0.00 0.00 0.00 36.38 32.25 1pjz s VAL 45 CO -0.05 -0.78 0.14 0.54 0.00 0.00 0.00 175.10 174.95 1pjz s VAL 46 N 5.60 0.14 0.09 2.92 0.11 0.79 -0.74 120.40 129.31 1pjz s VAL 46 Ca 0.62 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 1pjz s VAL 46 Cb -0.14 -1.13 -0.00 0.00 -1.53 0.00 0.00 36.38 33.58 1pjz s VAL 46 CO 0.32 -0.77 0.12 0.61 -3.33 0.00 0.00 175.10 172.05 1pjz n GLY 47 N 4.95 3.10 3.32 6.54 0.00 0.13 -3.71 105.19 119.52 1pjz n GLY 47 Ca -0.02 -1.52 -0.16 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.03 1.72 -0.46 4.61 0.00 0.17 -0.82 121.76 124.96 1pjz s ALA 48 Ca 0.09 -1.83 0.03 0.00 0.00 0.00 0.00 51.96 50.25 1pjz s ALA 48 Cb -0.00 0.88 0.13 0.00 0.00 0.00 0.00 23.12 24.13 1pjz s ALA 48 CO 0.06 -0.40 0.22 -2.00 0.00 0.00 0.00 175.76 173.64 1pjz s GLU 49 N -3.99 1.56 -0.10 0.00 -6.30 -0.29 -1.43 118.70 108.16 1pjz s GLU 49 Ca 0.35 -2.20 -0.18 0.00 -2.50 0.00 0.00 54.97 50.44 1pjz s GLU 49 Cb 0.07 -2.81 -0.21 0.00 0.00 0.00 0.00 34.13 31.19 1pjz s GLU 49 CO 0.12 -1.11 1.42 -0.11 0.02 0.00 0.00 175.26 175.60 1pjz n LEU 50 N 3.50 1.05 -3.70 2.70 -0.00 -1.13 0.53 117.00 119.95 1pjz n LEU 50 Ca 0.06 -1.48 -0.11 0.00 -0.00 0.00 0.00 56.01 54.47 1pjz n LEU 50 Cb 0.34 -0.57 -0.10 0.00 -0.00 0.00 0.00 43.42 43.09 1pjz n LEU 50 CO 0.27 -1.48 0.08 -0.44 -0.00 0.00 0.00 177.39 175.83 1pjz s SER 51 N 5.94 -0.51 -0.25 1.96 0.01 0.91 -4.96 113.70 116.81 1pjz s SER 51 Ca 0.41 0.90 -0.04 0.00 1.31 0.00 0.00 55.95 58.53 1pjz s SER 51 Cb 0.09 0.83 -0.17 0.00 0.21 0.00 0.00 66.02 66.98 1pjz s SER 51 CO 0.19 -0.18 -0.17 -0.62 0.41 0.00 0.00 173.24 172.86 1pjz n GLU 52 N 3.79 0.64 -0.31 12.44 4.71 -1.26 -3.35 120.64 137.30 1pjz n GLU 52 Ca -0.20 0.21 -0.04 0.00 -0.01 0.00 0.00 57.16 57.12 1pjz n GLU 52 Cb 0.56 -1.55 0.08 0.00 -1.01 0.00 0.00 31.44 29.52 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 -0.27 1.07 -0.08 0.62 0.00 -1.98 -0.96 119.26 117.66 1pjz h ALA 53 Ca -0.58 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.08 1pjz h ALA 53 Cb 1.81 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1pjz h ALA 53 CO -0.16 0.56 -0.55 0.00 0.00 0.00 0.00 179.25 179.10 1pjz h ALA 54 N 1.26 0.93 0.50 0.00 0.00 -1.98 -0.82 119.26 119.15 1pjz h ALA 54 Ca 0.30 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1pjz h ALA 54 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1pjz h ALA 54 CO -0.05 0.69 -0.26 0.28 0.00 0.00 0.00 179.25 179.91 1pjz h VAL 55 N 0.18 0.47 -0.43 0.00 2.07 -1.29 0.45 116.25 117.70 1pjz h VAL 55 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1pjz h VAL 55 Cb 1.02 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1pjz h VAL 55 CO 0.08 0.00 0.18 -0.33 0.02 0.00 0.00 177.57 177.53 1pjz h GLU 56 N -0.70 0.63 -0.07 1.57 4.39 -1.19 -1.42 114.58 117.80 1pjz h GLU 56 Ca -0.07 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.53 1pjz h GLU 56 Cb 0.55 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1pjz h GLU 56 CO 0.10 0.57 0.05 -0.09 -1.16 0.00 0.00 179.01 178.48 1pjz h ARG 57 N 0.55 0.06 -0.01 2.33 9.65 -0.95 -0.19 114.38 125.82 1pjz h ARG 57 Ca 0.14 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1pjz h ARG 57 Cb 0.17 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1pjz h ARG 57 CO -0.01 0.04 -0.02 1.88 2.80 0.00 0.00 179.97 184.66 1pjz h TYR 58 N 0.06 0.03 -0.05 2.20 -1.99 0.63 0.36 116.97 118.21 1pjz h TYR 58 Ca 0.03 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 1pjz h TYR 58 Cb 0.04 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 1pjz h TYR 58 CO -0.00 0.61 -0.07 0.74 -0.00 0.00 0.00 178.16 179.44 1pjz h PHE 59 N -0.56 0.08 0.00 4.88 0.04 -0.77 0.30 116.94 120.91 1pjz h PHE 59 Ca -0.00 -0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 1pjz h PHE 59 Cb 0.61 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.71 1pjz h PHE 59 CO 0.13 0.15 -1.15 0.00 -0.60 0.00 0.00 178.31 176.85 1pjz h THR 60 N 0.07 0.78 0.04 -1.55 1.03 -1.02 0.39 112.91 112.66 1pjz h THR 60 Ca 0.02 -2.31 -0.23 0.00 -0.01 0.00 0.00 66.41 63.88 1pjz h THR 60 Cb 0.18 2.28 -0.01 0.00 -1.07 0.00 0.00 68.15 69.54 1pjz h THR 60 CO 0.01 0.45 -1.02 -0.33 -0.01 0.00 0.00 175.52 174.62 1pjz h GLU 61 N 0.00 0.24 0.01 0.00 4.39 0.69 -3.32 114.58 116.59 1pjz h GLU 61 Ca -0.11 -0.32 -0.35 0.00 0.34 0.00 0.00 59.36 58.92 1pjz h GLU 61 Cb 1.60 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 30.29 1pjz h GLU 61 CO 0.07 1.07 -2.20 0.54 -1.16 0.00 0.00 179.01 177.33 1pjz n ARG 62 N -3.60 0.67 -3.74 2.33 1.74 0.97 -5.00 116.66 110.03 1pjz n ARG 62 Ca -0.05 0.11 -0.23 0.00 -0.77 0.00 0.00 57.85 56.90 1pjz n ARG 62 Cb 0.90 -1.60 0.03 0.00 -1.02 0.00 0.00 32.46 30.77 1pjz n ARG 62 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pjz n GLY 63 N 1.78 -0.35 0.29 -0.13 0.00 0.14 -4.87 105.19 102.04 1pjz n GLY 63 Ca -0.30 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1pjz n GLY 63 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pjz n GLU 64 N -4.39 0.00 -2.49 1.61 0.28 -1.25 -5.06 120.64 109.34 1pjz n GLU 64 Ca -0.21 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.76 1pjz n GLU 64 Cb 0.64 -0.81 0.00 0.00 1.43 0.00 0.00 31.44 32.70 1pjz n GLU 64 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1pjz n GLN 65 N -2.52 -1.38 0.00 3.44 6.02 -1.26 -5.05 117.38 116.62 1pjz n GLN 65 Ca 0.00 1.47 0.00 0.00 -0.01 0.00 0.00 57.00 58.46 1pjz n GLN 65 Cb 0.44 -4.43 0.00 0.00 1.02 0.00 0.00 30.24 27.27 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 -0.80 1.95 -1.71 -1.09 -0.04 -1.26 -4.76 135.00 127.29 1pjz n PRO 66 Ca 0.05 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.34 1pjz n PRO 66 Cb 0.39 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.76 1pjz n PRO 66 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1pjz s HIS 67 N 0.00 1.36 -0.02 0.54 2.46 0.28 -4.84 115.29 115.07 1pjz s HIS 67 Ca 0.00 1.79 -0.22 0.00 0.47 0.00 0.00 55.06 57.10 1pjz s HIS 67 Cb 0.00 -3.52 -0.05 0.00 -0.13 0.00 0.00 32.58 28.88 1pjz s HIS 67 CO 0.00 -1.10 0.65 0.42 -2.47 0.00 0.00 174.74 172.24 1pjz s ILE 68 N 14.87 4.93 0.26 0.89 -1.09 -1.24 -1.28 121.20 138.55 1pjz s ILE 68 Ca 0.81 1.36 0.01 0.00 -2.23 0.00 0.00 60.65 60.61 1pjz s ILE 68 Cb -0.07 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 1pjz s ILE 68 CO 0.13 0.36 0.11 -0.89 -1.23 0.00 0.00 174.94 173.41 1pjz s THR 69 N 0.16 0.48 -0.17 2.92 2.01 0.71 -4.90 115.64 116.85 1pjz s THR 69 Ca 0.34 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.35 1pjz s THR 69 Cb -0.18 -2.61 0.02 0.00 0.01 0.00 0.00 72.50 69.74 1pjz s THR 69 CO 0.18 0.00 -0.18 -0.94 -0.69 0.00 0.00 174.62 172.99 1pjz s SER 70 N -3.31 2.97 -0.30 3.53 1.04 -1.26 0.28 113.70 116.66 1pjz s SER 70 Ca 0.38 -0.59 0.03 0.00 0.48 0.00 0.00 55.95 56.25 1pjz s SER 70 Cb 0.07 -1.37 0.08 0.00 0.10 0.00 0.00 66.02 64.90 1pjz s SER 70 CO 0.14 -0.02 -0.02 -1.10 0.98 0.00 0.00 173.24 173.22 1pjz s GLN 71 N 1.34 1.78 -1.25 4.02 -1.52 0.18 -4.81 119.66 119.39 1pjz s GLN 71 Ca 0.05 -1.55 -0.27 0.00 -1.95 0.00 0.00 55.36 51.63 1pjz s GLN 71 Cb -0.13 -2.98 0.03 0.00 -0.22 0.00 0.00 33.01 29.72 1pjz s GLN 71 CO -0.12 -0.76 0.60 0.41 -0.25 0.00 0.00 175.29 175.18 1pjz n GLY 72 N 4.38 -0.74 2.65 3.09 0.00 -1.26 0.41 105.19 113.73 1pjz n GLY 72 Ca -0.05 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.35 0.00 -3.96 1.61 -0.08 -1.26 -4.98 116.55 105.53 1pjz n ASP 73 Ca -0.14 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.84 1pjz n ASP 73 Cb 0.59 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.32 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 -0.11 0.36 0.44 -0.67 0.08 0.17 -5.00 117.98 113.25 1pjz s PHE 74 Ca 0.00 0.85 0.06 0.00 0.12 0.00 0.00 56.93 57.95 1pjz s PHE 74 Cb 0.00 -3.00 -0.05 0.00 -0.57 0.00 0.00 43.02 39.39 1pjz s PHE 74 CO 0.00 -4.46 0.06 0.21 -0.10 0.00 0.00 175.22 170.93 1pjz s LYS 75 N -4.78 2.08 -0.23 0.44 2.20 -1.26 0.47 119.74 118.67 1pjz s LYS 75 Ca 0.69 -2.13 -0.04 0.00 -0.36 0.00 0.00 55.97 54.13 1pjz s LYS 75 Cb -0.19 -1.69 0.09 0.00 -1.51 0.00 0.00 37.83 34.53 1pjz s LYS 75 CO 0.61 -0.16 0.16 0.08 -0.36 0.00 0.00 175.35 175.68 1pjz s VAL 76 N -2.73 -0.19 -0.53 4.02 1.01 0.14 -1.01 120.40 121.12 1pjz s VAL 76 Ca 0.29 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 1pjz s VAL 76 Cb 0.06 -0.76 0.12 0.00 0.00 0.00 0.00 36.38 35.80 1pjz s VAL 76 CO 0.15 -0.41 0.48 -0.47 0.00 0.00 0.00 175.10 174.85 1pjz s TYR 77 N 2.21 3.25 -0.22 5.22 6.14 0.55 -0.21 117.35 134.29 1pjz s TYR 77 Ca 0.06 -1.21 -0.04 0.00 0.64 0.00 0.00 57.07 56.53 1pjz s TYR 77 Cb -0.16 -3.67 -0.01 0.00 0.42 0.00 0.00 41.96 38.55 1pjz s TYR 77 CO -0.21 -0.97 -0.05 0.00 0.64 0.00 0.00 175.55 174.96 1pjz s ALA 78 N 1.62 2.79 0.25 3.97 0.00 -0.40 -0.71 121.76 129.28 1pjz s ALA 78 Ca 0.03 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 1pjz s ALA 78 Cb -0.29 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1pjz s ALA 78 CO 0.04 -0.42 0.46 0.00 0.00 0.00 0.00 175.76 175.84 1pjz s ALA 79 N 1.46 3.75 -0.57 0.00 0.00 -1.26 -0.56 121.76 124.59 1pjz s ALA 79 Ca 0.06 -0.79 -0.28 0.00 0.00 0.00 0.00 51.96 50.95 1pjz s ALA 79 Cb -0.14 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 20.90 1pjz s ALA 79 CO -0.04 0.29 1.50 -1.25 0.00 0.00 0.00 175.76 176.26 1pjz s PRO 80 N -3.61 3.19 0.00 0.00 0.04 -1.26 -3.32 135.00 130.05 1pjz s PRO 80 Ca 0.40 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1pjz s PRO 80 Cb -0.11 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1pjz s PRO 80 CO 0.31 -2.07 0.00 0.41 0.04 0.00 0.00 177.00 175.69 1pjz n GLY 81 N 5.35 3.59 3.77 0.56 0.00 -1.26 -5.10 105.19 112.10 1pjz n GLY 81 Ca 0.14 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 4.43 -0.88 -0.61 -1.16 -1.21 -4.98 121.20 116.79 1pjz s ILE 82 Ca 0.00 -0.96 -0.02 0.00 -0.51 0.00 0.00 60.65 59.16 1pjz s ILE 82 Cb 0.00 -3.19 0.34 0.00 0.61 0.00 0.00 42.46 40.22 1pjz s ILE 82 CO 0.00 0.01 2.00 -0.62 -2.81 0.00 0.00 174.94 173.51 1pjz n GLU 83 N 0.07 3.22 -3.74 3.50 1.02 0.08 -4.02 120.64 120.77 1pjz n GLU 83 Ca -0.09 -3.71 -0.38 0.00 -0.02 0.00 0.00 57.16 52.96 1pjz n GLU 83 Cb 0.53 -2.30 -0.12 0.00 -0.02 0.00 0.00 31.44 29.52 1pjz n GLU 83 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1pjz s ILE 84 N -4.93 3.95 -0.56 -3.67 -1.09 -1.24 0.19 121.20 113.84 1pjz s ILE 84 Ca 0.50 -0.91 -0.14 0.00 -2.23 0.00 0.00 60.65 57.87 1pjz s ILE 84 Cb 0.40 -3.15 0.14 0.00 -1.58 0.00 0.00 42.46 38.27 1pjz s ILE 84 CO -0.37 -0.07 0.50 -1.66 -1.23 0.00 0.00 174.94 172.11 1pjz s TRP 85 N 1.46 3.37 -0.13 3.97 1.48 -0.00 -3.64 118.94 125.44 1pjz s TRP 85 Ca 0.01 -1.57 -0.29 0.00 -1.06 0.00 0.00 56.10 53.18 1pjz s TRP 85 Cb -0.18 -3.71 -0.03 0.00 -1.16 0.00 0.00 33.47 28.38 1pjz s TRP 85 CO 0.03 -1.01 1.41 0.00 -4.06 0.00 0.00 176.95 173.32 1pjz n GLY 87 N 3.84 -0.18 3.90 0.00 0.00 0.19 -0.33 105.19 112.61 1pjz n GLY 87 Ca 0.15 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 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 5.65 -0.38 1.61 2.15 -0.18 -0.06 116.67 121.47 1pjz s ASP 88 Ca 0.00 -0.30 0.02 0.00 0.43 0.00 0.00 52.55 52.71 1pjz s ASP 88 Cb 0.00 -1.23 0.15 0.00 -0.30 0.00 0.00 42.92 41.54 1pjz s ASP 88 CO 0.00 -0.29 0.32 0.12 -0.17 0.00 0.00 175.17 175.15 1pjz s PHE 89 N -2.20 0.28 0.00 -5.34 5.36 -1.26 -4.26 117.98 110.56 1pjz s PHE 89 Ca 0.40 -1.38 0.00 0.00 -0.96 0.00 0.00 56.93 54.99 1pjz s PHE 89 Cb -0.08 -0.66 0.00 0.00 -0.34 0.00 0.00 43.02 41.95 1pjz s PHE 89 CO 0.28 -0.90 0.00 1.19 -1.46 0.00 0.00 175.22 174.32 1pjz n PHE 90 N 3.87 0.00 0.00 10.12 3.01 -1.26 -5.01 117.46 128.19 1pjz n PHE 90 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1pjz n PHE 90 Cb 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 1pjz n PHE 90 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pjz n ALA 91 N 0.00 1.98 -1.74 4.37 0.00 -1.26 -5.06 120.51 118.80 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 0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1pjz n ALA 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1pjz n LEU 92 N -2.14 0.00 -3.73 0.00 -0.00 -1.26 -5.08 117.00 104.79 1pjz n LEU 92 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 1pjz n LEU 92 Cb 0.49 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.77 1pjz n LEU 92 CO 0.00 -0.09 -0.28 -0.89 -0.00 0.00 0.00 177.39 176.12 1pjz s THR 93 N 1.07 1.22 -0.46 1.47 2.01 -1.26 -4.94 115.64 114.75 1pjz s THR 93 Ca 0.00 -2.09 0.08 0.00 0.31 0.00 0.00 61.69 59.99 1pjz s THR 93 Cb 0.00 -1.88 0.08 0.00 0.01 0.00 0.00 72.50 70.71 1pjz s THR 93 CO 0.00 -0.80 1.17 0.00 -0.69 0.00 0.00 174.62 174.30 1pjz n ALA 94 N 4.08 0.81 0.05 7.40 0.00 -1.16 -0.21 120.51 131.49 1pjz n ALA 94 Ca 0.04 0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.36 1pjz n ALA 94 Cb 0.38 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.77 1pjz n ALA 94 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1pjz h ARG 95 N 0.00 0.37 -0.03 0.00 2.43 0.54 0.51 114.38 118.20 1pjz h ARG 95 Ca 0.00 -0.56 -0.15 0.00 -0.81 0.00 0.00 59.98 58.46 1pjz h ARG 95 Cb 0.25 0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1pjz h ARG 95 CO 0.00 1.24 -0.55 0.22 -1.51 0.00 0.00 179.97 179.37 1pjz h ASP 96 N -0.22 0.54 0.72 -3.80 3.58 -0.85 0.14 116.42 116.54 1pjz h ASP 96 Ca -0.14 -0.72 -0.15 0.00 0.42 0.00 0.00 57.03 56.44 1pjz h ASP 96 Cb 1.64 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.51 1pjz h ASP 96 CO 0.16 1.19 -0.73 0.16 -2.88 0.00 0.00 179.24 177.14 1pjz h ILE 97 N -0.05 1.52 0.00 2.25 3.07 -1.22 -3.37 117.51 119.72 1pjz h ILE 97 Ca -0.06 -2.49 0.00 0.00 1.55 0.00 0.00 64.86 63.86 1pjz h ILE 97 Cb 1.24 2.35 0.00 0.00 -0.27 0.00 0.00 36.82 40.14 1pjz h ILE 97 CO 0.11 0.71 0.00 0.61 -1.05 0.00 0.00 178.15 178.53 1pjz n GLY 98 N 0.57 0.06 5.04 0.16 0.00 0.18 -4.62 105.19 106.57 1pjz n GLY 98 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.32 0.00 -3.72 1.61 -0.00 0.47 -4.31 115.22 107.95 1pjz n HIS 99 Ca 0.00 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.04 1pjz n HIS 99 Cb 0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 29.78 1pjz n HIS 99 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1pjz n ALA 101 N 2.37 0.00 -3.70 0.00 0.00 -0.01 -1.73 120.51 117.44 1pjz n ALA 101 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 1pjz n ALA 101 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 1pjz n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjz s ALA 102 N -1.00 -1.46 -0.19 0.00 0.00 -0.65 0.27 121.76 118.72 1pjz s ALA 102 Ca 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 51.96 52.01 1pjz s ALA 102 Cb 0.00 0.77 0.09 0.00 0.00 0.00 0.00 23.12 23.98 1pjz s ALA 102 CO 0.00 -0.94 0.38 -0.59 0.00 0.00 0.00 175.76 174.61 1pjz s PHE 103 N -3.67 -0.72 0.70 0.00 -0.12 -0.28 -1.50 117.98 112.39 1pjz s PHE 103 Ca 0.08 1.33 -0.07 0.00 -0.05 0.00 0.00 56.93 58.22 1pjz s PHE 103 Cb -0.03 0.20 0.05 0.00 -0.63 0.00 0.00 43.02 42.61 1pjz s PHE 103 CO -0.00 -0.48 1.02 -0.47 -0.05 0.00 0.00 175.22 175.23 1pjz s TYR 104 N 2.57 2.97 -0.27 3.49 5.04 -0.60 -0.07 117.35 130.48 1pjz s TYR 104 Ca 0.00 0.51 -0.23 0.00 -2.44 0.00 0.00 57.07 54.92 1pjz s TYR 104 Cb -0.12 -3.16 0.08 0.00 0.35 0.00 0.00 41.96 39.10 1pjz s TYR 104 CO -0.12 -1.37 0.77 0.34 -1.34 0.00 0.00 175.55 173.83 1pjz s ASP 105 N -4.49 -0.74 0.42 4.32 2.15 0.16 -3.73 116.67 114.76 1pjz s ASP 105 Ca 0.59 1.36 0.07 0.00 0.43 0.00 0.00 52.55 55.01 1pjz s ASP 105 Cb -0.11 1.36 -0.02 0.00 -0.30 0.00 0.00 42.92 43.85 1pjz s ASP 105 CO 0.45 -0.23 0.33 0.00 -0.17 0.00 0.00 175.17 175.56 1pjz s ARG 106 N 0.64 2.44 -0.62 4.34 1.70 -1.26 0.42 118.95 126.60 1pjz s ARG 106 Ca -0.02 -1.65 -0.26 0.00 -0.47 0.00 0.00 55.73 53.34 1pjz s ARG 106 Cb -0.05 -2.26 -0.10 0.00 -0.57 0.00 0.00 34.95 31.97 1pjz s ARG 106 CO -0.05 -0.21 2.42 0.00 -1.08 0.00 0.00 175.30 176.39 1pjz n ALA 107 N -1.49 0.59 0.00 7.88 0.00 0.43 -4.41 120.51 123.51 1pjz n ALA 107 Ca 0.02 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1pjz n ALA 107 Cb 0.63 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 17.12 2.64 0.28 0.00 0.00 -1.26 -4.76 120.51 134.53 1pjz n ALA 108 Ca 0.42 0.00 0.16 0.00 0.00 0.00 0.00 53.44 54.01 1pjz n ALA 108 Cb 0.49 0.26 0.77 0.00 0.00 0.00 0.00 19.45 20.97 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 -1.92 -0.81 114.93 112.20 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 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.12 1pjz h MET 109 CO 0.00 0.07 0.00 0.44 -0.00 0.00 0.00 176.91 177.42 1pjz n ILE 110 N -3.33 0.82 -0.09 -0.10 -0.00 -1.26 -3.14 119.36 112.26 1pjz n ILE 110 Ca -0.01 0.19 -0.14 0.00 -0.00 0.00 0.00 62.75 62.79 1pjz n ILE 110 Cb 0.25 -0.97 -0.06 0.00 -0.00 0.00 0.00 39.64 38.86 1pjz n ILE 110 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1pjz n ALA 111 N -1.59 0.65 -0.96 -1.28 0.00 -0.32 -0.27 120.51 116.73 1pjz n ALA 111 Ca 0.04 -0.50 -0.29 0.00 0.00 0.00 0.00 53.44 52.69 1pjz n ALA 111 Cb 0.22 -0.23 0.18 0.00 0.00 0.00 0.00 19.45 19.62 1pjz n ALA 111 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1pjz s LEU 112 N -8.02 1.79 0.00 0.00 2.34 -1.17 -4.91 118.68 108.71 1pjz s LEU 112 Ca -0.23 1.51 -0.13 0.00 0.06 0.00 0.00 54.13 55.34 1pjz s LEU 112 Cb 0.04 -3.73 0.19 0.00 -0.56 0.00 0.00 46.19 42.13 1pjz s LEU 112 CO 0.40 -3.23 0.86 -0.81 -1.06 0.00 0.00 176.35 172.51 1pjz n PRO 113 N -4.27 -1.70 0.20 1.48 -0.04 -1.26 -4.71 135.00 124.71 1pjz n PRO 113 Ca 0.06 -1.34 -0.08 0.00 -0.04 0.00 0.00 63.50 62.10 1pjz n PRO 113 Cb 0.55 -1.06 -0.04 0.00 -0.04 0.00 0.00 33.50 32.92 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 -2.18 -0.99 -0.96 0.55 0.00 -1.96 0.55 119.26 114.26 1pjz h ALA 114 Ca -0.30 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.63 1pjz h ALA 114 Cb 0.86 0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.71 1pjz h ALA 114 CO 0.20 -0.95 -0.43 -3.47 0.00 0.00 0.00 179.25 174.60 1pjz n ASP 115 N -3.61 -0.74 -0.20 0.00 2.03 -1.26 0.10 116.55 112.88 1pjz n ASP 115 Ca -0.07 1.69 -0.06 0.00 0.52 0.00 0.00 54.79 56.88 1pjz n ASP 115 Cb 0.21 -0.34 0.04 0.00 -0.72 0.00 0.00 41.12 40.30 1pjz n ASP 115 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1pjz h MET 116 N 0.00 0.73 -0.73 -0.67 4.05 -1.92 -1.17 114.93 115.22 1pjz h MET 116 Ca 0.29 -0.04 0.10 0.00 -0.28 0.00 0.00 59.70 59.77 1pjz h MET 116 Cb 0.53 -0.17 -0.08 0.00 -0.80 0.00 0.00 31.60 31.08 1pjz h MET 116 CO -0.94 0.49 0.36 0.00 0.23 0.00 0.00 176.91 177.04 1pjz h ARG 117 N 0.76 0.57 -0.47 0.39 3.08 0.61 0.56 114.38 119.88 1pjz h ARG 117 Ca 0.22 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 1pjz h ARG 117 Cb -0.06 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1pjz h ARG 117 CO -0.06 0.38 0.09 0.93 -1.07 0.00 0.00 179.97 180.24 1pjz h GLU 118 N 0.59 0.77 0.00 0.04 5.08 0.27 -0.07 114.58 121.25 1pjz h GLU 118 Ca 0.37 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1pjz h GLU 118 Cb 0.43 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1pjz h GLU 118 CO -0.30 0.77 -0.22 0.00 -1.00 0.00 0.00 179.01 178.27 1pjz h ARG 119 N 0.64 0.00 0.22 2.33 2.47 0.02 -0.22 114.38 119.84 1pjz h ARG 119 Ca 0.14 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 1pjz h ARG 119 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1pjz h ARG 119 CO 0.01 0.22 -0.10 -0.92 0.56 0.00 0.00 179.97 179.73 1pjz h TYR 120 N 0.00 -0.27 -0.60 3.04 3.20 0.65 -0.31 116.97 122.67 1pjz h TYR 120 Ca -0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 1pjz h TYR 120 Cb 0.53 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.83 1pjz h TYR 120 CO 0.00 -0.15 0.29 -0.39 -1.64 0.00 0.00 178.16 176.27 1pjz h VAL 121 N -1.07 0.89 -0.24 1.81 -1.51 -1.02 0.29 116.25 115.39 1pjz h VAL 121 Ca -0.03 -0.18 -0.01 0.00 -1.23 0.00 0.00 66.70 65.25 1pjz h VAL 121 Cb 0.24 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 29.71 1pjz h VAL 121 CO 0.05 0.10 0.11 0.06 -1.23 0.00 0.00 177.57 176.66 1pjz h GLN 122 N 0.53 0.35 -0.84 5.19 3.07 -1.15 0.23 115.11 122.49 1pjz h GLN 122 Ca 0.28 -0.05 0.04 0.00 0.09 0.00 0.00 58.65 59.01 1pjz h GLN 122 Cb 0.25 -0.06 -0.05 0.00 0.08 0.00 0.00 27.48 27.70 1pjz h GLN 122 CO -0.22 0.36 0.55 0.45 0.09 0.00 0.00 178.83 180.06 1pjz h HIS 123 N 0.26 1.00 0.31 0.06 3.86 -0.17 0.27 115.15 120.74 1pjz h HIS 123 Ca 0.08 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1pjz h HIS 123 Cb 0.13 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.27 1pjz h HIS 123 CO -0.02 0.57 -0.15 1.25 0.86 0.00 0.00 177.93 180.44 1pjz h LEU 124 N 1.03 -0.36 -1.67 2.43 7.12 0.05 -1.40 115.31 122.51 1pjz h LEU 124 Ca 0.34 0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.42 1pjz h LEU 124 Cb 0.07 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 1pjz h LEU 124 CO -0.11 -0.15 0.52 1.05 -0.13 0.00 0.00 178.44 179.63 1pjz h GLU 125 N -0.64 0.00 0.23 1.25 -0.00 -0.43 1.64 114.58 116.64 1pjz h GLU 125 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.31 1pjz h GLU 125 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.08 1pjz h GLU 125 CO 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 179.01 178.97 1pjz h ALA 126 N 1.16 -0.31 -0.02 1.06 0.00 -0.30 -3.20 119.26 117.65 1pjz h ALA 126 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pjz h ALA 126 Cb 1.14 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.05 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 -4.98 0.24 -4.71 0.00 -0.00 0.09 -4.86 117.00 102.79 1pjz n LEU 127 Ca -0.06 -0.10 -0.29 0.00 -0.00 0.00 0.00 56.01 55.56 1pjz n LEU 127 Cb 0.20 -0.01 0.19 0.00 -0.00 0.00 0.00 43.42 43.80 1pjz n LEU 127 CO 0.17 0.05 0.69 -0.04 -0.00 0.00 0.00 177.39 178.25 1pjz s MET 128 N -1.98 -0.04 0.00 1.47 -1.94 0.54 0.33 119.30 117.68 1pjz s MET 128 Ca 0.32 0.09 0.00 0.00 -1.71 0.00 0.00 55.69 54.39 1pjz s MET 128 Cb 0.15 -1.72 0.00 0.00 2.01 0.00 0.00 34.83 35.27 1pjz s MET 128 CO 0.25 -2.96 0.00 -0.35 -0.01 0.00 0.00 175.02 171.96 1pjz n PRO 129 N -4.26 0.69 -0.09 2.03 -0.04 -1.25 -3.95 135.00 128.14 1pjz n PRO 129 Ca 0.10 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.42 1pjz n PRO 129 Cb 0.59 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.97 1pjz n PRO 129 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1pjz n GLN 130 N -0.26 0.45 -3.53 0.54 7.27 0.12 -4.85 117.38 117.12 1pjz n GLN 130 Ca 0.00 0.12 -0.29 0.00 0.07 0.00 0.00 57.00 56.90 1pjz n GLN 130 Cb 0.00 -1.33 -0.14 0.00 2.41 0.00 0.00 30.24 31.17 1pjz n GLN 130 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pjz s ALA 131 N -2.36 0.64 0.08 1.69 0.00 -0.69 -4.05 121.76 117.07 1pjz s ALA 131 Ca -0.25 -1.18 -0.15 0.00 0.00 0.00 0.00 51.96 50.38 1pjz s ALA 131 Cb 0.07 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.79 1pjz s ALA 131 CO 0.41 -1.72 0.34 0.00 0.00 0.00 0.00 175.76 174.79 1pjz s SER 133 N -2.45 6.05 0.45 0.00 1.04 0.14 0.24 113.70 119.17 1pjz s SER 133 Ca -0.00 -1.11 -0.09 0.00 0.48 0.00 0.00 55.95 55.22 1pjz s SER 133 Cb 0.01 -2.14 -0.05 0.00 0.10 0.00 0.00 66.02 63.94 1pjz s SER 133 CO -0.08 -0.52 0.80 -0.83 0.98 0.00 0.00 173.24 173.59 1pjz s GLY 134 N 2.05 1.76 -0.27 7.32 0.00 0.24 -1.13 107.32 117.29 1pjz s GLY 134 Ca 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.46 1pjz s GLY 134 CO 0.08 -0.11 0.36 -2.27 0.00 0.00 0.00 173.10 171.16 1pjz s LEU 135 N -4.28 -0.55 -0.15 0.66 2.96 0.90 -0.96 118.68 117.28 1pjz s LEU 135 Ca 0.50 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 54.07 1pjz s LEU 135 Cb -0.10 0.90 -0.04 0.00 0.50 0.00 0.00 46.19 47.44 1pjz s LEU 135 CO 0.38 -0.34 0.11 -0.22 -1.32 0.00 0.00 176.35 174.95 1pjz s LEU 136 N 2.48 4.15 -0.09 -0.68 1.98 0.05 0.37 118.68 126.93 1pjz s LEU 136 Ca 0.10 0.31 0.02 0.00 -2.89 0.00 0.00 54.13 51.67 1pjz s LEU 136 Cb -0.14 -2.03 -0.02 0.00 0.66 0.00 0.00 46.19 44.67 1pjz s LEU 136 CO -0.25 0.31 -0.14 -0.63 -1.89 0.00 0.00 176.35 173.75 1pjz s ILE 137 N -0.44 3.02 0.17 6.68 -1.09 0.17 -0.11 121.20 129.59 1pjz s ILE 137 Ca 0.11 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 1pjz s ILE 137 Cb -0.12 -2.22 -0.04 0.00 -1.58 0.00 0.00 42.46 38.49 1pjz s ILE 137 CO 0.02 0.55 0.05 0.42 -1.23 0.00 0.00 174.94 174.75 1pjz s THR 138 N -0.12 0.38 0.27 2.92 -4.23 0.20 -0.43 115.64 114.64 1pjz s THR 138 Ca -0.02 -1.96 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 1pjz s THR 138 Cb -0.14 -2.19 -0.06 0.00 1.34 0.00 0.00 72.50 71.45 1pjz s THR 138 CO 0.04 -0.37 0.04 -0.76 -0.54 0.00 0.00 174.62 173.03 1pjz s LEU 139 N -3.14 2.08 0.00 4.79 2.01 -1.26 0.48 118.68 123.64 1pjz s LEU 139 Ca 0.27 -1.31 0.00 0.00 0.01 0.00 0.00 54.13 53.10 1pjz s LEU 139 Cb 0.07 -0.27 0.00 0.00 0.01 0.00 0.00 46.19 46.00 1pjz s LEU 139 CO 0.05 -0.59 0.00 1.21 1.01 0.00 0.00 176.35 178.04 1pjz n GLU 140 N -0.54 0.00 0.00 1.70 2.13 -0.17 -3.72 120.64 120.05 1pjz n GLU 140 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1pjz n GLU 140 Cb 0.65 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.36 1pjz n GLU 140 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1pjz n TYR 141 N 0.00 0.00 -0.70 4.31 4.02 -1.26 -4.42 117.16 119.12 1pjz n TYR 141 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 1pjz n TYR 141 Cb 0.00 -0.05 -0.00 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 -1.28 -1.40 0.00 7.72 5.75 -1.26 -4.73 116.55 121.36 1pjz n ASP 142 Ca 0.00 0.46 0.00 0.00 -0.01 0.00 0.00 54.79 55.24 1pjz n ASP 142 Cb 0.00 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 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 0.68 0.00 -2.54 0.11 10.64 -1.26 -4.52 117.38 120.50 1pjz n GLN 143 Ca 0.07 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.95 1pjz n GLN 143 Cb 0.20 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.58 1pjz n GLN 143 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pjz n ALA 144 N 0.00 5.13 0.00 2.61 0.00 -1.26 -4.40 120.51 122.58 1pjz n ALA 144 Ca 0.00 -4.40 0.00 0.00 0.00 0.00 0.00 53.44 49.04 1pjz n ALA 144 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.43 0.00 -4.69 0.00 -0.00 -1.26 -5.12 117.00 105.51 1pjz n LEU 145 Ca 0.39 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 56.00 1pjz n LEU 145 Cb 0.56 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.93 1pjz n LEU 145 CO 0.35 0.00 0.41 -0.22 -0.00 0.00 0.00 177.39 177.93 1pjz s LEU 146 N 0.00 4.23 -0.81 1.47 1.98 -1.26 -4.63 118.68 119.65 1pjz s LEU 146 Ca 0.00 1.03 -0.32 0.00 -2.89 0.00 0.00 54.13 51.95 1pjz s LEU 146 Cb 0.00 -3.01 -0.18 0.00 0.66 0.00 0.00 46.19 43.65 1pjz s LEU 146 CO 0.00 -0.22 2.55 -0.62 -1.89 0.00 0.00 176.35 176.17 1pjz n GLU 147 N 4.50 0.24 -0.13 1.98 1.02 -1.26 -4.09 120.64 122.89 1pjz n GLU 147 Ca -0.01 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1pjz n GLU 147 Cb 0.50 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 6.56 -2.42 3.62 0.62 0.00 -1.26 -4.91 105.19 107.40 1pjz n GLY 148 Ca 0.58 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 1pjz n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pjz s PRO 149 N -3.80 3.73 0.53 1.61 0.04 -1.26 -4.84 135.00 131.01 1pjz s PRO 149 Ca 0.00 1.12 -0.18 0.00 0.04 0.00 0.00 61.00 61.98 1pjz s PRO 149 Cb 0.00 -3.96 -0.07 0.00 0.04 0.00 0.00 34.50 30.51 1pjz s PRO 149 CO 0.00 -1.36 1.04 -1.25 0.04 0.00 0.00 177.00 175.47 1pjz s PRO 150 N 4.59 3.64 -0.21 0.56 0.04 -1.26 -4.74 135.00 137.61 1pjz s PRO 150 Ca 0.60 1.28 0.14 0.00 0.04 0.00 0.00 61.00 63.06 1pjz s PRO 150 Cb -0.16 -2.07 0.79 0.00 0.04 0.00 0.00 34.50 33.09 1pjz s PRO 150 CO 0.28 -0.56 1.70 0.34 0.04 0.00 0.00 177.00 178.80 1pjz n PHE 151 N -1.38 1.95 -3.65 0.56 -0.00 0.63 -4.97 117.46 110.59 1pjz n PHE 151 Ca 0.09 -0.69 -0.33 0.00 -0.00 0.00 0.00 57.45 56.52 1pjz n PHE 151 Cb 0.53 -0.46 0.02 0.00 -0.00 0.00 0.00 39.48 39.56 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 0.69 -5.15 -4.64 -2.13 3.41 -1.24 -4.73 113.62 99.82 1pjz n SER 152 Ca 0.27 -0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 57.91 1pjz n SER 152 Cb 1.13 -1.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 1pjz n SER 152 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pjz s VAL 153 N -2.15 3.27 -0.06 -3.33 0.11 -1.26 -4.93 120.40 112.05 1pjz s VAL 153 Ca 0.21 0.31 -0.30 0.00 -2.93 0.00 0.00 61.98 59.28 1pjz s VAL 153 Cb -0.02 -3.24 -0.03 0.00 -1.53 0.00 0.00 36.38 31.56 1pjz s VAL 153 CO 0.89 -0.07 1.23 -2.16 -3.33 0.00 0.00 175.10 171.66 1pjz s PRO 154 N 4.71 4.33 0.37 1.54 0.04 -1.26 -4.90 135.00 139.84 1pjz s PRO 154 Ca 0.84 1.70 0.19 0.00 0.04 0.00 0.00 61.00 63.77 1pjz s PRO 154 Cb -0.36 -3.58 1.18 0.00 0.04 0.00 0.00 34.50 31.78 1pjz s PRO 154 CO 0.35 -0.48 1.67 1.96 0.04 0.00 0.00 177.00 180.54 1pjz h GLN 155 N 7.57 0.27 -0.90 4.56 7.50 -1.98 1.25 115.11 133.37 1pjz h GLN 155 Ca -0.34 -0.02 0.15 0.00 0.50 0.00 0.00 58.65 58.95 1pjz h GLN 155 Cb 1.16 -0.06 -0.07 0.00 0.05 0.00 0.00 27.48 28.55 1pjz h GLN 155 CO 0.89 0.18 0.58 0.00 -1.50 0.00 0.00 178.83 178.98 1pjz h THR 156 N 0.28 0.81 0.86 -0.54 1.03 -1.97 0.16 112.91 113.53 1pjz h THR 156 Ca 0.73 -0.23 -0.04 0.00 -0.01 0.00 0.00 66.41 66.86 1pjz h THR 156 Cb 1.87 0.09 0.01 0.00 -1.07 0.00 0.00 68.15 69.05 1pjz h THR 156 CO -0.51 0.12 -0.41 -0.25 -0.01 0.00 0.00 175.52 174.46 1pjz h TRP 157 N 0.66 -1.07 -0.48 0.00 7.01 0.12 0.54 115.95 122.73 1pjz h TRP 157 Ca 0.46 -0.03 0.14 0.00 2.11 0.00 0.00 58.89 61.57 1pjz h TRP 157 Cb 0.78 0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 28.18 1pjz h TRP 157 CO -0.00 -0.66 0.50 -0.07 -2.79 0.00 0.00 178.44 175.42 1pjz h LEU 158 N -1.30 0.00 0.00 0.65 3.38 -1.18 1.88 115.31 118.74 1pjz h LEU 158 Ca -0.12 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1pjz h LEU 158 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1pjz h LEU 158 CO 0.19 0.00 -0.74 -0.74 0.09 0.00 0.00 178.44 177.25 1pjz h HIS 159 N 0.00 0.00 0.06 1.13 2.76 0.05 0.59 115.15 119.74 1pjz h HIS 159 Ca 0.23 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 58.12 1pjz h HIS 159 Cb 1.23 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.17 1pjz h HIS 159 CO 0.00 0.36 -1.42 0.07 -1.30 0.00 0.00 177.93 175.65 1pjz h ARG 160 N 0.00 0.12 0.00 5.26 0.11 0.79 -3.33 114.38 117.34 1pjz h ARG 160 Ca -0.04 -0.21 0.00 0.00 0.10 0.00 0.00 59.98 59.82 1pjz h ARG 160 Cb 1.31 0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.47 1pjz h ARG 160 CO 0.04 0.95 -0.16 1.55 0.10 0.00 0.00 179.97 182.44 1pjz n VAL 161 N -3.33 0.71 0.00 0.08 3.14 0.17 -4.58 118.33 114.52 1pjz n VAL 161 Ca -0.12 0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1pjz n VAL 161 Cb 1.02 -1.51 0.00 0.00 -1.06 0.00 0.00 33.84 32.28 1pjz n VAL 161 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1pjz n MET 162 N -3.20 0.00 -3.30 1.45 2.81 0.19 -4.19 117.12 110.88 1pjz n MET 162 Ca -0.02 0.00 -0.46 0.00 -1.81 0.00 0.00 57.70 55.41 1pjz n MET 162 Cb 0.08 -1.19 -0.05 0.00 -0.71 0.00 0.00 33.22 31.36 1pjz n MET 162 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pjz s SER 163 N -1.66 6.19 0.00 7.83 0.15 0.11 -4.25 113.70 122.07 1pjz s SER 163 Ca 0.00 -1.76 0.00 0.00 0.70 0.00 0.00 55.95 54.89 1pjz s SER 163 Cb 0.00 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1pjz s SER 163 CO 0.00 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.19 1pjz n GLY 164 N 5.25 -0.43 0.00 9.45 0.00 -1.26 -4.91 105.19 113.29 1pjz n GLY 164 Ca -0.14 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.70 1.61 4.13 -1.26 -5.11 115.26 110.93 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 -0.14 0.00 -1.54 0.00 0.00 39.78 38.10 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 -0.32 -0.71 3.10 -2.14 -1.26 -1.02 118.94 116.59 1pjz s TRP 166 Ca 0.00 0.79 -0.27 0.00 2.66 0.00 0.00 56.10 59.28 1pjz s TRP 166 Cb 0.00 -0.03 0.03 0.00 -3.10 0.00 0.00 33.47 30.36 1pjz s TRP 166 CO 0.00 -0.27 1.31 -1.21 -2.66 0.00 0.00 176.95 174.12 1pjz s GLU 167 N 1.74 3.19 0.41 3.25 0.41 -0.15 -4.55 118.70 122.99 1pjz s GLU 167 Ca -0.05 -0.13 -0.24 0.00 -0.41 0.00 0.00 54.97 54.15 1pjz s GLU 167 Cb -0.11 -4.18 -0.08 0.00 -1.78 0.00 0.00 34.13 27.98 1pjz s GLU 167 CO -0.08 -2.14 1.12 0.14 -0.49 0.00 0.00 175.26 173.82 1pjz s VAL 168 N 5.87 3.36 -0.05 2.63 -7.23 -1.25 -1.50 120.40 122.23 1pjz s VAL 168 Ca 0.38 1.07 -0.05 0.00 -1.81 0.00 0.00 61.98 61.58 1pjz s VAL 168 Cb -0.08 -3.57 0.01 0.00 0.56 0.00 0.00 36.38 33.30 1pjz s VAL 168 CO 0.17 0.04 0.14 0.28 -0.31 0.00 0.00 175.10 175.42 1pjz s THR 169 N -1.53 -0.00 0.38 5.32 -1.32 0.24 -4.95 115.64 113.77 1pjz s THR 169 Ca 0.59 0.01 -0.27 0.00 -1.21 0.00 0.00 61.69 60.81 1pjz s THR 169 Cb -0.27 -0.20 -0.09 0.00 -1.51 0.00 0.00 72.50 70.43 1pjz s THR 169 CO 0.34 0.00 1.27 -1.59 -2.21 0.00 0.00 174.62 172.43 1pjz s LYS 170 N 0.12 4.13 0.11 7.08 -2.85 -1.26 -0.81 119.74 126.25 1pjz s LYS 170 Ca -0.00 2.09 -0.26 0.00 -1.00 0.00 0.00 55.97 56.80 1pjz s LYS 170 Cb -0.01 -2.85 0.08 0.00 -2.06 0.00 0.00 37.83 32.99 1pjz s LYS 170 CO -0.00 -0.34 1.07 0.54 0.10 0.00 0.00 175.35 176.72 1pjz s VAL 171 N -1.25 0.00 0.00 1.79 0.11 0.43 -4.79 120.40 116.68 1pjz s VAL 171 Ca 0.54 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1pjz s VAL 171 Cb -0.37 -2.14 0.00 0.00 -1.53 0.00 0.00 36.38 32.34 1pjz s VAL 171 CO 0.48 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.86 1pjz n GLY 172 N -0.52 -1.62 3.75 6.54 0.00 -1.26 0.92 105.19 113.00 1pjz n GLY 172 Ca -0.06 -2.04 -0.05 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.23 0.12 -0.02 0.00 0.04 -4.85 107.32 102.39 1pjz s GLY 173 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.86 1pjz s GLY 173 CO 0.00 0.01 0.15 -0.86 0.00 0.00 0.00 173.10 172.39 1pjz s GLN 174 N -3.41 3.02 0.00 2.90 -2.07 -1.26 -0.64 119.66 118.20 1pjz s GLN 174 Ca 0.11 -0.73 0.00 0.00 -1.82 0.00 0.00 55.36 52.92 1pjz s GLN 174 Cb -0.02 -2.76 0.00 0.00 -1.09 0.00 0.00 33.01 29.14 1pjz s GLN 174 CO 0.02 0.53 0.00 -0.25 -1.32 0.00 0.00 175.29 174.27 1pjz n ASP 175 N -0.05 -3.25 -3.80 12.60 8.00 0.38 -4.81 116.55 125.61 1pjz n ASP 175 Ca -0.08 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.12 1pjz n ASP 175 Cb 0.53 -2.22 -0.09 0.00 -0.02 0.00 0.00 41.12 39.32 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 -2.21 2.37 0.98 -3.53 5.66 -0.25 -3.75 114.28 113.56 1pjz n THR 176 Ca 0.00 -5.10 0.14 0.00 -3.05 0.00 0.00 64.05 56.04 1pjz n THR 176 Cb 0.22 -2.19 0.53 0.00 -1.55 0.00 0.00 70.33 67.33 1pjz n THR 176 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pjz n LEU 177 N 1.64 0.14 0.26 1.09 -0.00 -1.24 -3.36 117.00 115.53 1pjz n LEU 177 Ca 0.24 0.39 0.16 0.00 -0.00 0.00 0.00 56.01 56.80 1pjz n LEU 177 Cb 0.37 -0.44 0.88 0.00 -0.00 0.00 0.00 43.42 44.24 1pjz n LEU 177 CO 0.36 0.02 1.14 0.45 -0.00 0.00 0.00 177.39 179.36 1pjz h HIS 178 N 0.00 0.00 0.00 1.47 3.86 -1.92 0.12 115.15 118.68 1pjz h HIS 178 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pjz h HIS 178 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1pjz h HIS 178 CO 0.00 0.00 0.17 0.77 0.86 0.00 0.00 177.93 179.73 1pjz h SER 179 N 0.00 0.00 -4.08 2.45 0.02 -1.94 -3.40 113.55 106.61 1pjz h SER 179 Ca 0.04 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.67 1pjz h SER 179 Cb 0.24 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.64 1pjz h SER 179 CO -0.00 0.00 -0.69 -0.44 -1.14 0.00 0.00 176.83 174.56 1pjz s SER 180 N -4.64 1.66 0.07 3.07 0.01 0.41 -1.89 113.70 112.39 1pjz s SER 180 Ca -0.04 -1.09 0.03 0.00 1.31 0.00 0.00 55.95 56.16 1pjz s SER 180 Cb 0.10 0.02 -0.24 0.00 0.21 0.00 0.00 66.02 66.11 1pjz s SER 180 CO 0.32 -0.42 1.11 0.00 0.41 0.00 0.00 173.24 174.65 1pjz h ALA 181 N 2.71 0.32 -1.13 1.44 0.00 -1.80 -3.26 119.26 117.53 1pjz h ALA 181 Ca -0.37 -1.00 0.31 0.00 0.00 0.00 0.00 54.91 53.86 1pjz h ALA 181 Cb 1.20 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1pjz h ALA 181 CO 0.64 1.20 0.77 0.07 0.00 0.00 0.00 179.25 181.92 1pjz h ARG 182 N 0.03 0.17 -0.34 0.00 0.11 -1.95 0.50 114.38 112.90 1pjz h ARG 182 Ca -0.11 -0.01 0.05 0.00 0.10 0.00 0.00 59.98 60.02 1pjz h ARG 182 Cb 1.89 -0.04 -0.05 0.00 1.11 0.00 0.00 29.97 32.88 1pjz h ARG 182 CO 0.15 0.11 0.03 0.78 0.10 0.00 0.00 179.97 181.15 1pjz h GLY 183 N 0.18 0.36 1.39 0.08 0.00 -1.72 0.44 103.07 103.79 1pjz h GLY 183 Ca 0.59 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1pjz h GLY 183 CO -0.16 -0.05 -0.45 1.04 0.00 0.00 0.00 176.54 176.92 1pjz n LEU 184 N -5.13 0.74 0.19 3.11 7.99 0.76 -0.43 117.00 124.22 1pjz n LEU 184 Ca 0.01 0.33 0.08 0.00 -0.01 0.00 0.00 56.01 56.41 1pjz n LEU 184 Cb 0.16 -0.22 0.17 0.00 -0.11 0.00 0.00 43.42 43.42 1pjz n LEU 184 CO 0.23 -0.09 0.67 0.50 -1.51 0.00 0.00 177.39 177.19 1pjz h LYS 185 N 0.00 0.00 0.00 3.23 3.11 0.12 -3.33 116.57 119.70 1pjz h LYS 185 Ca 0.00 0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.58 1pjz h LYS 185 Cb 0.75 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.93 1pjz h LYS 185 CO 0.00 0.26 -1.97 0.00 -2.81 0.00 0.00 179.45 174.93 1pjz n ALA 186 N -2.17 1.63 -0.74 5.00 0.00 0.14 -4.95 120.51 119.42 1pjz n ALA 186 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1pjz n ALA 186 Cb 0.60 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 2.68 0.25 0.03 0.00 0.00 0.43 -4.90 105.19 103.69 1pjz n GLY 187 Ca -0.30 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 1pjz n GLY 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pjz n LEU 188 N -0.48 0.96 -3.84 0.99 4.32 -1.04 -5.02 117.00 112.88 1pjz n LEU 188 Ca 0.00 -0.01 -0.35 0.00 -0.02 0.00 0.00 56.01 55.63 1pjz n LEU 188 Cb 0.23 0.01 0.02 0.00 -1.62 0.00 0.00 43.42 42.07 1pjz n LEU 188 CO 0.00 0.29 -0.12 -1.84 -1.22 0.00 0.00 177.39 174.50 1pjz n GLU 189 N -2.37 -0.87 0.00 3.23 0.28 -1.26 -4.77 120.64 114.88 1pjz n GLU 189 Ca -0.10 0.41 0.00 0.00 -0.16 0.00 0.00 57.16 57.30 1pjz n GLU 189 Cb 0.67 -3.18 0.00 0.00 1.43 0.00 0.00 31.44 30.36 1pjz n GLU 189 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1pjz n ARG 190 N -4.13 0.00 -3.70 3.44 1.85 -1.26 -5.06 116.66 107.79 1pjz n ARG 190 Ca -0.14 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.59 1pjz n ARG 190 Cb 0.59 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.94 1pjz n ARG 190 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1pjz s MET 191 N -0.51 0.88 -0.52 2.89 -1.94 -1.25 -4.84 119.30 114.02 1pjz s MET 191 Ca 0.00 -0.45 -0.28 0.00 -1.71 0.00 0.00 55.69 53.25 1pjz s MET 191 Cb 0.00 0.39 0.01 0.00 2.01 0.00 0.00 34.83 37.24 1pjz s MET 191 CO 0.00 -0.30 1.40 -0.51 -0.01 0.00 0.00 175.02 175.60 1pjz s ASP 192 N -2.10 6.21 -0.38 3.03 1.11 -1.26 0.14 116.67 123.42 1pjz s ASP 192 Ca -0.04 0.43 -0.08 0.00 0.18 0.00 0.00 52.55 53.04 1pjz s ASP 192 Cb -0.01 -2.54 0.06 0.00 1.07 0.00 0.00 42.92 41.50 1pjz s ASP 192 CO -0.04 -1.61 0.19 -0.70 1.18 0.00 0.00 175.17 174.19 1pjz s GLU 193 N 5.30 2.60 -0.26 8.23 2.12 0.18 -0.99 118.70 135.89 1pjz s GLU 193 Ca 0.54 -1.32 -0.13 0.00 0.36 0.00 0.00 54.97 54.42 1pjz s GLU 193 Cb -0.11 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 1pjz s GLU 193 CO 0.27 -0.82 0.27 -1.01 -0.54 0.00 0.00 175.26 173.44 1pjz s HIS 194 N 1.42 3.27 0.15 5.30 3.76 0.18 -0.78 115.29 128.59 1pjz s HIS 194 Ca 0.01 0.31 0.06 0.00 -0.15 0.00 0.00 55.06 55.30 1pjz s HIS 194 Cb -0.21 -2.44 -0.04 0.00 1.11 0.00 0.00 32.58 31.00 1pjz s HIS 194 CO 0.03 -0.11 0.03 0.08 -0.85 0.00 0.00 174.74 173.92 1pjz s VAL 195 N 1.63 3.98 -0.17 -0.90 1.01 0.26 0.60 120.40 126.82 1pjz s VAL 195 Ca 0.11 -1.23 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 1pjz s VAL 195 Cb -0.15 -2.99 0.08 0.00 0.00 0.00 0.00 36.38 33.32 1pjz s VAL 195 CO 0.09 -0.05 0.24 -0.47 0.00 0.00 0.00 175.10 174.91 1pjz s TYR 196 N -1.63 -0.36 0.03 5.22 5.04 0.84 -0.43 117.35 126.06 1pjz s TYR 196 Ca 0.28 0.57 -0.27 0.00 -2.44 0.00 0.00 57.07 55.21 1pjz s TYR 196 Cb -0.10 -0.21 -0.05 0.00 0.35 0.00 0.00 41.96 41.95 1pjz s TYR 196 CO 0.20 -0.49 0.83 0.54 -1.34 0.00 0.00 175.55 175.29 1pjz s VAL 197 N 2.37 4.77 -0.34 3.14 0.11 0.01 -0.77 120.40 129.68 1pjz s VAL 197 Ca 0.05 1.76 0.03 0.00 -2.93 0.00 0.00 61.98 60.90 1pjz s VAL 197 Cb -0.14 -4.18 0.10 0.00 -1.53 0.00 0.00 36.38 30.63 1pjz s VAL 197 CO -0.10 0.30 0.06 -0.76 -3.33 0.00 0.00 175.10 171.26 1pjz s LEU 198 N 0.30 4.77 -0.74 2.54 1.02 -0.13 0.79 118.68 127.23 1pjz s LEU 198 Ca 0.42 -2.13 -0.26 0.00 0.02 0.00 0.00 54.13 52.18 1pjz s LEU 198 Cb -0.21 -1.64 0.01 0.00 0.02 0.00 0.00 46.19 44.37 1pjz s LEU 198 CO 0.24 -0.39 1.54 -0.70 0.02 0.00 0.00 176.35 177.07 1pjz s GLU 199 N 0.93 3.00 -0.46 1.70 -6.30 -0.56 0.80 118.70 117.80 1pjz s GLU 199 Ca 0.10 -0.06 -0.27 0.00 -2.50 0.00 0.00 54.97 52.24 1pjz s GLU 199 Cb -0.19 -4.44 -0.02 0.00 0.00 0.00 0.00 34.13 29.47 1pjz s GLU 199 CO -0.08 -2.44 1.88 0.50 0.02 0.00 0.00 175.26 175.14 1pjz s ARG 200 N 6.19 2.93 0.00 4.30 3.52 0.14 -0.98 118.95 135.04 1pjz s ARG 200 Ca 0.50 1.09 0.30 0.00 -0.13 0.00 0.00 55.73 57.49 1pjz s ARG 200 Cb -0.09 -4.31 1.58 0.00 -1.56 0.00 0.00 34.95 30.57 1pjz s ARG 200 CO 0.13 -2.35 2.04 1.33 -0.81 0.00 0.00 175.30 175.64