#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rzz n GLN 4 N 0.00 1.43 -3.16 2.98 1.13 -1.26 -4.97 117.38 113.53 1rzz n GLN 4 Ca 0.00 -0.97 -0.23 0.00 -1.94 0.00 0.00 57.00 53.86 1rzz n GLN 4 Cb 0.00 -1.48 0.04 0.00 0.11 0.00 0.00 30.24 28.91 1rzz n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1rzz n ASN 5 N 0.06 -5.91 0.06 1.08 5.15 -1.26 -4.87 115.26 109.57 1rzz n ASN 5 Ca 0.14 -0.35 -0.22 0.00 -0.60 0.00 0.00 54.58 53.55 1rzz n ASN 5 Cb 0.41 -4.76 -0.15 0.00 -0.53 0.00 0.00 39.78 34.75 1rzz n ASN 5 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1rzz h ILE 6 N -1.56 0.89 -4.14 -1.44 1.08 -1.96 -3.46 117.51 106.91 1rzz h ILE 6 Ca -0.53 -2.50 -0.59 0.00 -0.39 0.00 0.00 64.86 60.85 1rzz h ILE 6 Cb 1.36 2.72 -0.25 0.00 -3.07 0.00 0.00 36.82 37.58 1rzz h ILE 6 CO 0.57 0.86 -0.84 -0.36 -0.69 0.00 0.00 178.15 177.69 1rzz s PHE 7 N -2.58 1.88 0.36 1.37 0.08 -1.26 -4.82 117.98 113.01 1rzz s PHE 7 Ca -0.17 -0.39 -0.27 0.00 0.12 0.00 0.00 56.93 56.23 1rzz s PHE 7 Cb 0.06 -1.11 -0.09 0.00 -0.57 0.00 0.00 43.02 41.31 1rzz s PHE 7 CO 0.84 0.12 1.22 -1.12 -0.10 0.00 0.00 175.22 176.18 1rzz s SER 8 N -1.32 6.69 0.06 1.36 0.01 -0.55 -4.94 113.70 115.02 1rzz s SER 8 Ca 0.08 2.48 -0.08 0.00 1.31 0.00 0.00 55.95 59.74 1rzz s SER 8 Cb -0.09 -2.63 -0.31 0.00 0.21 0.00 0.00 66.02 63.20 1rzz s SER 8 CO 0.02 -0.57 1.10 1.56 0.41 0.00 0.00 173.24 175.76 1rzz h GLN 9 N 3.06 0.37 -3.59 12.44 4.20 -1.98 -3.45 115.11 126.16 1rzz h GLN 9 Ca -0.49 -0.63 -0.30 0.00 0.06 0.00 0.00 58.65 57.30 1rzz h GLN 9 Cb 1.23 0.23 -0.33 0.00 0.30 0.00 0.00 27.48 28.91 1rzz h GLN 9 CO 0.64 1.30 -0.73 0.54 -0.67 0.00 0.00 178.83 179.91 1rzz s VAL 10 N -2.66 -0.01 -0.05 -0.54 0.11 -1.26 -5.14 120.40 110.85 1rzz s VAL 10 Ca -0.06 0.16 -0.14 0.00 -2.93 0.00 0.00 61.98 59.02 1rzz s VAL 10 Cb 0.06 -0.10 -0.05 0.00 -1.53 0.00 0.00 36.38 34.76 1rzz s VAL 10 CO 0.91 0.09 0.37 -1.10 -3.33 0.00 0.00 175.10 172.03 1rzz s GLN 11 N 0.90 3.96 0.06 1.54 -0.21 -1.26 -5.08 119.66 119.56 1rzz s GLN 11 Ca -0.08 0.31 0.09 0.00 0.02 0.00 0.00 55.36 55.71 1rzz s GLN 11 Cb -0.11 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.60 1rzz s GLN 11 CO -0.02 0.58 -0.25 0.54 -2.12 0.00 0.00 175.29 174.02 1rzz s VAL 12 N -0.68 2.04 -0.07 1.09 0.11 -1.26 -5.14 120.40 116.49 1rzz s VAL 12 Ca 0.22 -1.39 -0.03 0.00 -2.93 0.00 0.00 61.98 57.84 1rzz s VAL 12 Cb -0.15 -1.76 0.04 0.00 -1.53 0.00 0.00 36.38 32.97 1rzz s VAL 12 CO 0.11 0.29 0.15 -0.60 -3.33 0.00 0.00 175.10 171.72 1rzz s ARG 13 N -1.34 0.11 0.25 1.54 3.52 -1.26 -5.02 118.95 116.75 1rzz s ARG 13 Ca 0.11 0.36 0.02 0.00 -0.13 0.00 0.00 55.73 56.08 1rzz s ARG 13 Cb -0.10 -0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.16 1rzz s ARG 13 CO 0.02 -0.15 0.13 0.41 -0.81 0.00 0.00 175.30 174.90 1rzz n GLY 14 N 4.07 3.23 3.70 8.12 0.00 -1.26 -5.10 105.19 117.95 1rzz n GLY 14 Ca -0.25 -2.25 -0.32 0.00 0.00 0.00 0.00 46.02 43.20 1rzz n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rzz s PRO 15 N -2.99 1.46 0.31 1.61 0.04 -1.26 -4.86 135.00 129.31 1rzz s PRO 15 Ca 0.10 1.58 -0.27 0.00 0.04 0.00 0.00 61.00 62.45 1rzz s PRO 15 Cb -0.01 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.62 1rzz s PRO 15 CO 0.06 -2.31 0.83 0.00 0.04 0.00 0.00 177.00 175.63 1rzz n ALA 16 N -3.72 -0.93 -2.74 8.56 0.00 -1.26 -4.92 120.51 115.49 1rzz n ALA 16 Ca 0.12 0.35 -0.39 0.00 0.00 0.00 0.00 53.44 53.52 1rzz n ALA 16 Cb 0.52 -1.90 -0.11 0.00 0.00 0.00 0.00 19.45 17.95 1rzz n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rzz s ASP 17 N -0.73 5.74 0.04 0.00 -1.08 -1.26 -4.95 116.67 114.43 1rzz s ASP 17 Ca 0.61 -0.34 0.26 0.00 -0.52 0.00 0.00 52.55 52.56 1rzz s ASP 17 Cb -0.72 -2.05 0.76 0.00 -1.46 0.00 0.00 42.92 39.45 1rzz s ASP 17 CO 0.59 -0.15 1.61 0.18 0.52 0.00 0.00 175.17 177.91 1rzz n LEU 18 N 5.03 0.39 0.00 -1.34 4.77 -1.26 -4.66 117.00 119.92 1rzz n LEU 18 Ca -0.14 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1rzz n LEU 18 Cb 0.50 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1rzz n LEU 18 CO 0.34 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1rzz n GLY 19 N 1.46 -2.00 3.85 -0.72 0.00 -1.26 -4.94 105.19 101.58 1rzz n GLY 19 Ca 0.06 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 1rzz n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rzz s MET 20 N 0.00 3.93 -0.20 1.61 -1.94 -1.26 -5.03 119.30 116.41 1rzz s MET 20 Ca 0.00 0.76 -0.15 0.00 -1.71 0.00 0.00 55.69 54.59 1rzz s MET 20 Cb 0.00 -2.27 -0.08 0.00 2.01 0.00 0.00 34.83 34.48 1rzz s MET 20 CO 0.00 -0.10 -0.32 2.41 -0.01 0.00 0.00 175.02 177.00 1rzz n THR 21 N -1.19 1.44 0.00 2.05 -1.04 -1.26 -4.93 114.28 109.34 1rzz n THR 21 Ca 0.05 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1rzz n THR 21 Cb 0.54 -2.08 0.00 0.00 -1.82 0.00 0.00 70.33 66.97 1rzz n THR 21 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1rzz n GLU 22 N -4.27 0.00 -0.83 -2.82 4.07 -1.26 -0.42 120.64 115.11 1rzz n GLU 22 Ca -0.31 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.77 1rzz n GLU 22 Cb 0.66 0.00 0.27 0.00 -0.06 0.00 0.00 31.44 32.31 1rzz n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1rzz n ASP 23 N 3.29 4.14 -4.74 4.31 8.00 -0.23 -4.99 116.55 126.32 1rzz n ASP 23 Ca 0.00 -3.28 -0.40 0.00 0.71 0.00 0.00 54.79 51.82 1rzz n ASP 23 Cb 0.00 -0.67 -0.05 0.00 -0.02 0.00 0.00 41.12 40.37 1rzz n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1rzz s VAL 24 N -3.01 4.15 -0.82 2.53 1.01 0.43 -4.87 120.40 119.82 1rzz s VAL 24 Ca 0.50 2.03 -0.26 0.00 0.00 0.00 0.00 61.98 64.25 1rzz s VAL 24 Cb 0.41 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1rzz s VAL 24 CO 0.10 0.43 1.32 0.21 0.00 0.00 0.00 175.10 177.16 1rzz s ASN 25 N -0.78 6.27 0.65 3.32 3.84 -1.26 -4.86 114.94 122.11 1rzz s ASN 25 Ca 0.43 -0.79 0.32 0.00 0.21 0.00 0.00 52.86 53.03 1rzz s ASN 25 Cb -0.26 -2.56 1.73 0.00 -0.55 0.00 0.00 41.25 39.62 1rzz s ASN 25 CO 0.32 -1.72 2.01 -0.07 -2.79 0.00 0.00 177.10 174.85 1rzz h LEU 26 N 12.87 0.00 -1.32 3.21 4.07 -1.94 -1.50 115.31 130.70 1rzz h LEU 26 Ca -0.13 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.77 1rzz h LEU 26 Cb 1.04 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.77 1rzz h LEU 26 CO 1.32 0.00 -0.15 0.00 -1.08 0.00 0.00 178.44 178.53 1rzz h ALA 27 N 1.50 1.44 -0.02 1.53 0.00 -2.01 -2.29 119.26 119.40 1rzz h ALA 27 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1rzz h ALA 27 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1rzz h ALA 27 CO -0.00 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.73 1rzz n ASN 28 N -4.24 0.66 -4.64 0.00 3.02 -0.56 -4.79 115.26 104.70 1rzz n ASN 28 Ca -0.01 -1.31 -0.39 0.00 -0.03 0.00 0.00 54.58 52.85 1rzz n ASN 28 Cb 0.29 -0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.37 1rzz n ASN 28 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1rzz s ARG 29 N -1.97 4.10 0.00 3.52 3.52 -0.86 -0.77 118.95 126.48 1rzz s ARG 29 Ca 0.40 0.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.15 1rzz s ARG 29 Cb 0.20 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1rzz s ARG 29 CO 0.32 -0.16 0.00 -1.13 -0.81 0.00 0.00 175.30 173.52 1rzz n SER 30 N 4.92 -1.09 -4.99 -2.12 3.41 -0.23 -4.97 113.62 108.55 1rzz n SER 30 Ca -0.08 -0.35 -0.20 0.00 -0.26 0.00 0.00 58.87 57.98 1rzz n SER 30 Cb 0.51 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1rzz n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1rzz s GLY 31 N -2.26 1.74 0.54 5.00 0.00 -1.26 -4.65 107.32 106.44 1rzz s GLY 31 Ca 0.00 -1.42 -0.21 0.00 0.00 0.00 0.00 44.72 43.09 1rzz s GLY 31 CO 0.00 -1.25 1.32 0.54 0.00 0.00 0.00 173.10 173.71 1rzz s VAL 32 N -2.42 2.24 0.00 1.40 0.11 -1.26 -4.37 120.40 116.10 1rzz s VAL 32 Ca 0.51 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.74 1rzz s VAL 32 Cb -0.10 -3.09 0.00 0.00 -1.53 0.00 0.00 36.38 31.66 1rzz s VAL 32 CO 0.34 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.72 1rzz n GLY 33 N 0.69 0.72 3.90 6.54 0.00 0.16 -4.92 105.19 112.27 1rzz n GLY 33 Ca 0.11 -1.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.02 1rzz n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rzz s PRO 34 N 1.60 3.59 -0.03 1.61 0.05 -1.26 -4.70 135.00 135.87 1rzz s PRO 34 Ca 0.00 0.33 -0.11 0.00 0.05 0.00 0.00 61.00 61.27 1rzz s PRO 34 Cb 0.00 -2.33 -0.05 0.00 0.05 0.00 0.00 34.50 32.17 1rzz s PRO 34 CO 0.00 -0.24 0.32 -0.06 0.05 0.00 0.00 177.00 177.06 1rzz s PHE 35 N -2.76 3.67 -0.30 0.56 0.40 -1.26 -2.67 117.98 115.61 1rzz s PHE 35 Ca 0.49 0.81 -0.02 0.00 -0.60 0.00 0.00 56.93 57.61 1rzz s PHE 35 Cb -0.10 -2.15 0.05 0.00 0.51 0.00 0.00 43.02 41.32 1rzz s PHE 35 CO 0.44 0.66 0.01 0.45 0.70 0.00 0.00 175.22 177.49 1rzz s SER 36 N -1.15 4.92 0.38 1.36 0.15 0.93 -4.95 113.70 115.34 1rzz s SER 36 Ca 0.22 -1.29 0.06 0.00 0.70 0.00 0.00 55.95 55.63 1rzz s SER 36 Cb -0.15 -1.72 0.75 0.00 -1.71 0.00 0.00 66.02 63.19 1rzz s SER 36 CO 0.11 -0.27 1.99 0.74 1.20 0.00 0.00 173.24 177.01 1rzz h THR 37 N 6.45 1.14 0.62 6.45 2.02 -1.98 -0.49 112.91 127.13 1rzz h THR 37 Ca -0.21 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1rzz h THR 37 Cb 1.06 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1rzz h THR 37 CO 0.54 0.17 -0.42 0.25 0.37 0.00 0.00 175.52 176.43 1rzz h LEU 38 N 0.56 -1.06 -0.83 2.58 5.85 -1.96 -2.27 115.31 118.17 1rzz h LEU 38 Ca 0.14 0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1rzz h LEU 38 Cb 0.08 0.32 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 1rzz h LEU 38 CO -0.02 -0.63 0.50 -0.07 -0.34 0.00 0.00 178.44 177.88 1rzz h LEU 39 N -0.99 0.76 -1.75 2.25 3.38 -1.80 -2.33 115.31 114.83 1rzz h LEU 39 Ca -0.08 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.06 1rzz h LEU 39 Cb 0.82 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1rzz h LEU 39 CO 0.06 0.47 0.60 1.23 0.09 0.00 0.00 178.44 180.88 1rzz h GLY 40 N 0.89 0.00 1.86 0.83 0.00 -0.51 0.23 103.07 106.37 1rzz h GLY 40 Ca 0.38 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.59 1rzz h GLY 40 CO -0.20 0.00 -0.50 1.49 0.00 0.00 0.00 176.54 177.33 1rzz h TRP 41 N 0.00 0.18 0.00 5.60 -0.00 -1.12 -3.34 115.95 117.27 1rzz h TRP 41 Ca 0.22 -0.06 -0.41 0.00 -0.00 0.00 0.00 58.89 58.65 1rzz h TRP 41 Cb 1.42 -0.04 -0.07 0.00 -0.00 0.00 0.00 29.16 30.47 1rzz h TRP 41 CO 0.00 0.62 -2.45 0.34 -0.00 0.00 0.00 178.44 176.95 1rzz n PHE 42 N -3.95 0.00 -1.14 0.49 7.35 0.20 -1.48 117.46 118.93 1rzz n PHE 42 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 1rzz n PHE 42 Cb 0.53 -0.96 0.00 0.00 0.35 0.00 0.00 39.48 39.40 1rzz n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rzz n GLY 43 N 1.91 5.19 3.76 7.13 0.00 0.56 -4.90 105.19 118.84 1rzz n GLY 43 Ca -0.48 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 1rzz n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rzz s ASN 44 N 1.18 6.84 0.16 1.61 0.01 -1.26 -3.79 114.94 119.68 1rzz s ASN 44 Ca 0.00 2.57 0.25 0.00 -0.71 0.00 0.00 52.86 54.97 1rzz s ASN 44 Cb 0.00 -2.63 0.52 0.00 0.41 0.00 0.00 41.25 39.54 1rzz s ASN 44 CO 0.00 -0.52 1.50 0.00 -1.51 0.00 0.00 177.10 176.57 1rzz h ALA 45 N 4.19 0.75 -2.40 0.60 0.00 -1.85 -3.36 119.26 117.20 1rzz h ALA 45 Ca -0.47 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.90 1rzz h ALA 45 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1rzz h ALA 45 CO 0.70 0.00 0.46 -1.14 0.00 0.00 0.00 179.25 179.27 1rzz s GLN 46 N -3.15 4.50 -0.15 0.00 0.74 -1.26 -0.05 119.66 120.29 1rzz s GLN 46 Ca 0.08 1.50 -0.04 0.00 0.05 0.00 0.00 55.36 56.95 1rzz s GLN 46 Cb 0.13 -3.46 -0.03 0.00 1.10 0.00 0.00 33.01 30.75 1rzz s GLN 46 CO 0.67 -0.16 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.72 1rzz s LEU 47 N 1.25 3.35 0.05 3.68 1.43 -1.09 -4.97 118.68 122.37 1rzz s LEU 47 Ca 0.53 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 1rzz s LEU 47 Cb -0.23 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1rzz s LEU 47 CO 0.26 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.64 1rzz n GLY 48 N 3.42 -1.50 3.88 -3.19 0.00 -1.26 0.37 105.19 106.90 1rzz n GLY 48 Ca -0.17 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 1rzz n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rzz s PRO 49 N -1.38 1.68 0.14 1.61 0.04 -1.26 -4.57 135.00 131.26 1rzz s PRO 49 Ca 0.00 0.11 0.08 0.00 0.04 0.00 0.00 61.00 61.23 1rzz s PRO 49 Cb 0.00 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1rzz s PRO 49 CO 0.00 -1.79 -0.19 -1.50 0.04 0.00 0.00 177.00 173.56 1rzz s ILE 50 N -3.54 1.78 -0.23 0.56 2.07 -1.26 -4.95 121.20 115.63 1rzz s ILE 50 Ca 0.63 -1.77 -0.10 0.00 -1.41 0.00 0.00 60.65 58.01 1rzz s ILE 50 Cb -0.11 -1.73 -0.05 0.00 0.13 0.00 0.00 42.46 40.70 1rzz s ILE 50 CO 0.50 -0.21 0.14 -0.47 -1.91 0.00 0.00 174.94 172.99 1rzz s TYR 51 N -1.68 3.28 -0.45 3.50 6.14 -1.26 -1.07 117.35 125.81 1rzz s TYR 51 Ca 0.12 0.14 0.03 0.00 0.64 0.00 0.00 57.07 57.99 1rzz s TYR 51 Cb -0.07 -2.24 0.15 0.00 0.42 0.00 0.00 41.96 40.22 1rzz s TYR 51 CO 0.06 0.03 0.30 -0.51 0.64 0.00 0.00 175.55 176.07 1rzz s LEU 52 N 1.01 2.17 0.00 6.97 1.43 0.05 -4.93 118.68 125.39 1rzz s LEU 52 Ca 0.07 -2.85 0.00 0.00 -1.03 0.00 0.00 54.13 50.32 1rzz s LEU 52 Cb -0.14 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.31 1rzz s LEU 52 CO 0.04 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.01 1rzz n GLY 53 N 3.20 -0.14 0.19 -3.19 0.00 -1.26 -4.75 105.19 99.24 1rzz n GLY 53 Ca 0.18 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 1rzz n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rzz h SER 54 N 0.00 0.54 -0.84 1.61 0.02 -1.99 -1.76 113.55 111.13 1rzz h SER 54 Ca 0.00 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1rzz h SER 54 Cb 0.00 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.34 1rzz h SER 54 CO 0.00 0.59 0.52 0.25 -1.14 0.00 0.00 176.83 177.05 1rzz h LEU 55 N 0.45 0.83 -0.53 5.07 5.85 -1.95 0.16 115.31 125.19 1rzz h LEU 55 Ca 0.12 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 1rzz h LEU 55 Cb 0.24 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1rzz h LEU 55 CO -0.00 0.55 -0.02 1.23 -0.34 0.00 0.00 178.44 179.86 1rzz h GLY 56 N 0.97 1.03 0.95 3.75 0.00 -1.83 0.29 103.07 108.23 1rzz h GLY 56 Ca 0.36 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 1rzz h GLY 56 CO -0.15 0.70 0.09 -2.08 0.00 0.00 0.00 176.54 175.10 1rzz h VAL 57 N 0.82 1.24 0.12 4.60 2.07 -0.75 -0.80 116.25 123.56 1rzz h VAL 57 Ca 0.15 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1rzz h VAL 57 Cb 0.55 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1rzz h VAL 57 CO 0.03 0.29 -0.20 0.25 0.02 0.00 0.00 177.57 177.97 1rzz h LEU 58 N 0.56 -0.54 -0.50 2.57 5.85 -0.44 0.04 115.31 122.85 1rzz h LEU 58 Ca 0.13 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1rzz h LEU 58 Cb 0.34 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1rzz h LEU 58 CO 0.00 -0.28 0.23 -1.28 -0.34 0.00 0.00 178.44 176.78 1rzz h SER 59 N -0.38 0.32 -0.58 1.25 0.87 -0.79 -0.73 113.55 113.50 1rzz h SER 59 Ca 0.02 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 1rzz h SER 59 Cb 0.40 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1rzz h SER 59 CO -0.10 0.22 -0.03 0.25 -0.53 0.00 0.00 176.83 176.64 1rzz h LEU 60 N 0.46 1.04 0.36 2.23 6.46 -0.88 -0.15 115.31 124.83 1rzz h LEU 60 Ca 0.23 -0.31 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 1rzz h LEU 60 Cb 0.16 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.82 1rzz h LEU 60 CO -0.18 1.10 -0.17 0.15 -0.62 0.00 0.00 178.44 178.72 1rzz h PHE 61 N 0.95 -0.45 -0.58 1.25 3.57 -0.62 -1.02 116.94 120.05 1rzz h PHE 61 Ca 0.16 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1rzz h PHE 61 Cb 0.59 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 1rzz h PHE 61 CO 0.04 -0.22 0.35 0.77 -2.23 0.00 0.00 178.31 177.02 1rzz h SER 62 N -0.60 0.56 -0.83 0.41 0.02 -1.10 0.19 113.55 112.19 1rzz h SER 62 Ca -0.05 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1rzz h SER 62 Cb 0.44 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 1rzz h SER 62 CO 0.08 0.39 0.52 1.23 -1.14 0.00 0.00 176.83 177.91 1rzz h GLY 63 N 0.68 1.25 1.12 -3.77 0.00 -0.91 0.67 103.07 102.10 1rzz h GLY 63 Ca 0.23 -0.37 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 1rzz h GLY 63 CO -0.11 0.26 -0.48 1.41 0.00 0.00 0.00 176.54 177.62 1rzz h LEU 64 N 0.95 0.95 -1.42 3.11 3.38 -0.60 -2.20 115.31 119.48 1rzz h LEU 64 Ca 0.36 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1rzz h LEU 64 Cb 0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1rzz h LEU 64 CO -0.17 1.28 0.25 0.24 0.09 0.00 0.00 178.44 180.14 1rzz h MET 65 N 0.65 0.64 0.42 1.13 2.86 -0.27 0.37 114.93 120.73 1rzz h MET 65 Ca 0.03 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1rzz h MET 65 Cb 1.09 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1rzz h MET 65 CO 0.11 0.48 -0.20 2.35 1.06 0.00 0.00 176.91 180.71 1rzz h TRP 66 N 0.65 -0.52 0.26 -0.22 7.01 -0.71 -0.46 115.95 121.95 1rzz h TRP 66 Ca 0.17 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.16 1rzz h TRP 66 Cb 0.03 0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 1rzz h TRP 66 CO 0.00 -0.24 -0.23 0.35 -2.79 0.00 0.00 178.44 175.53 1rzz h PHE 67 N -0.74 -0.62 -0.71 2.65 3.57 -0.88 -2.49 116.94 117.72 1rzz h PHE 67 Ca -0.06 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.50 1rzz h PHE 67 Cb 0.52 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 1rzz h PHE 67 CO -0.01 -0.35 0.46 0.74 -2.23 0.00 0.00 178.31 176.93 1rzz h PHE 68 N -0.51 0.76 -0.41 0.41 0.05 -0.30 -0.05 116.94 116.88 1rzz h PHE 68 Ca -0.01 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.77 1rzz h PHE 68 Cb 0.47 -0.25 -0.02 0.00 2.00 0.00 0.00 35.95 38.15 1rzz h PHE 68 CO -0.15 0.41 0.13 1.15 -0.18 0.00 0.00 178.31 179.68 1rzz h THR 69 N 0.76 1.21 -0.65 -1.55 2.02 -0.79 0.12 112.91 114.04 1rzz h THR 69 Ca 0.30 -0.70 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 1rzz h THR 69 Cb 0.21 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1rzz h THR 69 CO -0.10 0.25 0.21 0.40 0.37 0.00 0.00 175.52 176.65 1rzz h ILE 70 N 0.51 1.25 -0.45 3.11 2.04 -0.94 -2.66 117.51 120.37 1rzz h ILE 70 Ca 0.13 -0.84 -0.07 0.00 1.00 0.00 0.00 64.86 65.07 1rzz h ILE 70 Cb 0.25 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1rzz h ILE 70 CO -0.01 0.33 -0.00 1.23 0.00 0.00 0.00 178.15 179.70 1rzz h GLY 71 N 0.94 0.86 1.01 5.37 0.00 -0.63 -1.15 103.07 109.47 1rzz h GLY 71 Ca 0.21 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1rzz h GLY 71 CO -0.01 0.59 0.46 1.19 0.00 0.00 0.00 176.54 178.76 1rzz h ILE 72 N 0.64 1.19 -0.58 2.60 6.09 -0.69 0.11 117.51 126.87 1rzz h ILE 72 Ca 0.13 -0.38 -0.04 0.00 -1.37 0.00 0.00 64.86 63.19 1rzz h ILE 72 Cb 0.50 0.17 -0.03 0.00 0.47 0.00 0.00 36.82 37.93 1rzz h ILE 72 CO 0.02 0.19 0.18 -0.25 -3.07 0.00 0.00 178.15 175.22 1rzz h TRP 73 N 0.97 0.89 -0.67 2.19 2.91 -1.32 -0.06 115.95 120.85 1rzz h TRP 73 Ca 0.26 -0.07 -0.06 0.00 1.13 0.00 0.00 58.89 60.15 1rzz h TRP 73 Cb -0.08 -0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 28.28 1rzz h TRP 73 CO -0.02 0.72 0.18 0.74 -1.03 0.00 0.00 178.44 179.03 1rzz h PHE 74 N 0.84 1.11 -0.53 2.65 -1.00 0.10 0.19 116.94 120.30 1rzz h PHE 74 Ca 0.19 -0.12 -0.07 0.00 2.81 0.00 0.00 57.97 60.77 1rzz h PHE 74 Cb 0.25 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 1rzz h PHE 74 CO 0.02 0.90 0.03 -1.49 -1.61 0.00 0.00 178.31 176.16 1rzz h TRP 75 N 0.99 0.93 -0.04 -0.55 4.06 -0.17 -1.16 115.95 120.01 1rzz h TRP 75 Ca 0.21 -0.13 -0.00 0.00 2.06 0.00 0.00 58.89 61.03 1rzz h TRP 75 Cb 0.34 -0.26 -0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1rzz h TRP 75 CO 0.03 0.83 0.02 -0.92 -3.56 0.00 0.00 178.44 174.83 1rzz h TYR 76 N 0.82 0.06 0.00 0.49 3.20 -0.34 0.23 116.97 121.43 1rzz h TYR 76 Ca 0.16 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1rzz h TYR 76 Cb 0.44 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1rzz h TYR 76 CO 0.03 0.20 -0.00 1.96 -1.64 0.00 0.00 178.16 178.71 1rzz h GLN 77 N -0.10 0.00 -0.01 1.82 4.20 -0.27 0.23 115.11 120.98 1rzz h GLN 77 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1rzz h GLN 77 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1rzz h GLN 77 CO -0.00 0.00 -0.33 0.00 -0.67 0.00 0.00 178.83 177.83 1rzz n ALA 78 N -2.11 3.22 -1.60 3.87 0.00 -0.47 -4.91 120.51 118.52 1rzz n ALA 78 Ca -0.03 -0.43 -0.08 0.00 0.00 0.00 0.00 53.44 52.91 1rzz n ALA 78 Cb 0.09 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 1rzz n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rzz n GLY 79 N 1.37 0.62 2.60 0.00 0.00 0.81 -2.74 105.19 107.84 1rzz n GLY 79 Ca 0.11 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 1rzz n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rzz n TRP 80 N -3.26 0.00 -3.14 1.61 7.02 0.73 -4.97 117.44 115.43 1rzz n TRP 80 Ca -0.09 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 55.97 1rzz n TRP 80 Cb 0.38 -2.06 -0.07 0.00 -2.42 0.00 0.00 31.31 27.14 1rzz n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1rzz s ASN 81 N -2.40 6.32 0.27 -0.99 3.84 -1.11 -4.97 114.94 115.89 1rzz s ASN 81 Ca 0.00 -0.32 -0.02 0.00 0.21 0.00 0.00 52.86 52.73 1rzz s ASN 81 Cb 0.00 -2.31 0.59 0.00 -0.55 0.00 0.00 41.25 38.98 1rzz s ASN 81 CO 0.00 -0.72 1.64 -0.65 -2.79 0.00 0.00 177.10 174.57 1rzz h PRO 82 N 8.80 0.14 -0.21 0.43 0.11 -1.93 0.09 132.00 139.44 1rzz h PRO 82 Ca -0.26 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.77 1rzz h PRO 82 Cb 1.10 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1rzz h PRO 82 CO 0.87 0.10 -0.21 0.00 -0.21 0.00 0.00 178.00 178.54 1rzz h ALA 83 N 1.76 1.25 -0.07 -0.75 0.00 -1.97 -2.58 119.26 116.91 1rzz h ALA 83 Ca 0.49 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 1rzz h ALA 83 Cb 0.94 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1rzz h ALA 83 CO -0.68 0.49 -0.86 0.28 0.00 0.00 0.00 179.25 178.48 1rzz h VAL 84 N 0.34 1.33 -0.80 0.00 2.07 -1.37 -2.34 116.25 115.48 1rzz h VAL 84 Ca 0.06 -2.18 0.03 0.00 0.82 0.00 0.00 66.70 65.43 1rzz h VAL 84 Cb 0.57 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.49 1rzz h VAL 84 CO 0.04 0.67 0.51 0.15 0.02 0.00 0.00 177.57 178.96 1rzz h PHE 85 N 0.38 0.96 0.05 1.57 3.57 -0.89 -1.08 116.94 121.50 1rzz h PHE 85 Ca -0.07 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.22 1rzz h PHE 85 Cb 1.48 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 1rzz h PHE 85 CO 0.07 0.56 -1.05 -0.07 -2.23 0.00 0.00 178.31 175.60 1rzz h LEU 86 N 1.01 0.31 -0.16 0.59 3.38 -1.47 -1.38 115.31 117.58 1rzz h LEU 86 Ca 0.31 -0.30 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 1rzz h LEU 86 Cb -0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1rzz h LEU 86 CO -0.10 1.17 -0.95 0.08 0.09 0.00 0.00 178.44 178.73 1rzz h ARG 87 N 0.09 0.10 -0.49 1.13 0.11 -1.22 -3.30 114.38 110.79 1rzz h ARG 87 Ca -0.08 -0.13 0.00 0.00 0.10 0.00 0.00 59.98 59.87 1rzz h ARG 87 Cb 1.74 0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.86 1rzz h ARG 87 CO 0.16 0.97 0.00 -0.25 0.10 0.00 0.00 179.97 180.95 1rzz n ASP 88 N -3.53 3.32 -0.32 0.08 8.00 -0.43 -4.73 116.55 118.94 1rzz n ASP 88 Ca -0.02 -2.00 0.17 0.00 0.71 0.00 0.00 54.79 53.64 1rzz n ASP 88 Cb 0.87 -0.33 0.34 0.00 -0.02 0.00 0.00 41.12 41.98 1rzz n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1rzz h LEU 89 N 2.90 -0.12 -0.01 0.64 5.85 -1.33 0.42 115.31 123.66 1rzz h LEU 89 Ca 0.00 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1rzz h LEU 89 Cb 0.83 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1rzz h LEU 89 CO 0.00 -0.27 0.00 0.49 -0.34 0.00 0.00 178.44 178.32 1rzz n PHE 90 N -5.32 0.57 0.09 1.25 3.72 -1.26 -3.59 117.46 112.91 1rzz n PHE 90 Ca 0.25 0.17 0.11 0.00 -0.05 0.00 0.00 57.45 57.92 1rzz n PHE 90 Cb 0.81 -0.77 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 1rzz n PHE 90 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1rzz n PHE 91 N -1.97 0.85 -1.09 1.38 3.01 0.14 -2.04 117.46 117.74 1rzz n PHE 91 Ca 0.06 0.25 -0.31 0.00 1.01 0.00 0.00 57.45 58.45 1rzz n PHE 91 Cb 0.39 -0.91 0.12 0.00 -0.01 0.00 0.00 39.48 39.07 1rzz n PHE 91 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1rzz s PHE 92 N -3.36 2.15 -0.28 1.38 0.08 -0.89 -4.83 117.98 112.23 1rzz s PHE 92 Ca -0.02 1.66 -0.24 0.00 0.12 0.00 0.00 56.93 58.45 1rzz s PHE 92 Cb 0.10 -3.22 0.09 0.00 -0.57 0.00 0.00 43.02 39.42 1rzz s PHE 92 CO 0.81 -2.27 0.82 0.45 -0.10 0.00 0.00 175.22 174.93 1rzz s SER 93 N -2.91 -0.67 -0.41 1.36 0.15 -1.26 -4.36 113.70 105.60 1rzz s SER 93 Ca 0.65 1.26 -0.10 0.00 0.70 0.00 0.00 55.95 58.46 1rzz s SER 93 Cb -0.21 1.27 0.07 0.00 -1.71 0.00 0.00 66.02 65.45 1rzz s SER 93 CO 0.55 -0.21 0.26 -0.22 1.20 0.00 0.00 173.24 174.81 1rzz s LEU 94 N 0.47 5.11 0.31 3.45 0.20 -0.75 -4.95 118.68 122.51 1rzz s LEU 94 Ca -0.00 -1.43 -0.06 0.00 0.69 0.00 0.00 54.13 53.32 1rzz s LEU 94 Cb -0.05 -2.00 -0.06 0.00 -0.43 0.00 0.00 46.19 43.66 1rzz s LEU 94 CO -0.03 -0.52 0.59 -1.61 -0.29 0.00 0.00 176.35 174.49 1rzz s GLU 95 N 1.45 3.68 0.88 1.98 0.41 -1.26 -1.25 118.70 124.59 1rzz s GLU 95 Ca 0.03 0.12 -0.13 0.00 -0.41 0.00 0.00 54.97 54.57 1rzz s GLU 95 Cb -0.23 -2.60 0.15 0.00 -1.78 0.00 0.00 34.13 29.67 1rzz s GLU 95 CO 0.03 0.18 1.24 -1.25 -0.49 0.00 0.00 175.26 174.97 1rzz s PRO 96 N -3.54 1.24 0.57 0.39 0.04 -1.26 -4.24 135.00 128.20 1rzz s PRO 96 Ca 0.46 -0.24 -0.20 0.00 0.04 0.00 0.00 61.00 61.05 1rzz s PRO 96 Cb -0.11 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 1rzz s PRO 96 CO 0.29 -2.02 1.17 -2.30 0.04 0.00 0.00 177.00 174.18 1rzz n PRO 97 N -3.52 1.26 -1.35 0.56 -0.02 -1.26 -4.56 135.00 126.10 1rzz n PRO 97 Ca 0.12 0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 1rzz n PRO 97 Cb 0.60 -2.37 0.09 0.00 -0.02 0.00 0.00 33.50 31.81 1rzz n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rzz s ALA 98 N -1.39 2.16 0.34 3.55 0.00 -1.26 -2.78 121.76 122.38 1rzz s ALA 98 Ca 0.74 0.54 0.10 0.00 0.00 0.00 0.00 51.96 53.34 1rzz s ALA 98 Cb -0.42 -3.36 0.86 0.00 0.00 0.00 0.00 23.12 20.20 1rzz s ALA 98 CO 0.48 -1.81 1.79 -1.35 0.00 0.00 0.00 175.76 174.87 1rzz h PRO 99 N -0.73 0.62 -0.70 0.00 0.11 -1.93 -1.27 132.00 128.11 1rzz h PRO 99 Ca -0.45 -0.04 0.20 0.00 0.11 0.00 0.00 66.00 65.82 1rzz h PRO 99 Cb 1.26 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1rzz h PRO 99 CO 0.50 0.41 0.74 0.93 -0.21 0.00 0.00 178.00 180.38 1rzz h GLU 100 N 0.64 0.00 -0.01 1.05 3.07 -2.00 0.33 114.58 117.67 1rzz h GLU 100 Ca 0.56 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 1rzz h GLU 100 Cb 1.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1rzz h GLU 100 CO -0.33 0.00 -0.21 0.66 -1.40 0.00 0.00 179.01 177.73 1rzz n TYR 101 N -3.59 0.00 -0.69 4.33 4.01 -0.48 -5.02 117.16 115.72 1rzz n TYR 101 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1rzz n TYR 101 Cb 0.99 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.89 1rzz n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rzz n GLY 102 N 1.32 2.85 1.69 2.72 0.00 0.12 -1.41 105.19 112.47 1rzz n GLY 102 Ca 0.13 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1rzz n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rzz n LEU 103 N 0.00 5.09 -4.87 0.99 4.77 -1.22 -1.86 117.00 119.91 1rzz n LEU 103 Ca 0.00 -2.61 -0.30 0.00 -0.03 0.00 0.00 56.01 53.07 1rzz n LEU 103 Cb 0.00 -0.62 0.05 0.00 -2.33 0.00 0.00 43.42 40.52 1rzz n LEU 103 CO 0.00 0.76 0.74 -0.94 -1.33 0.00 0.00 177.39 176.62 1rzz s SER 104 N -0.89 5.37 -0.38 -1.43 1.04 -0.50 -4.96 113.70 111.96 1rzz s SER 104 Ca 0.53 1.18 0.06 0.00 0.48 0.00 0.00 55.95 58.19 1rzz s SER 104 Cb 0.36 -1.98 0.49 0.00 0.10 0.00 0.00 66.02 64.98 1rzz s SER 104 CO 0.22 -1.39 1.53 0.49 0.98 0.00 0.00 173.24 175.07 1rzz n PHE 105 N -3.05 2.17 0.99 5.02 3.72 -1.26 -4.60 117.46 120.45 1rzz n PHE 105 Ca 0.07 -2.13 0.10 0.00 -0.05 0.00 0.00 57.45 55.44 1rzz n PHE 105 Cb 0.57 -0.69 -0.08 0.00 -0.94 0.00 0.00 39.48 38.35 1rzz n PHE 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rzz n ALA 106 N -0.96 4.60 -1.69 4.37 0.00 -1.26 -4.98 120.51 120.59 1rzz n ALA 106 Ca 0.45 -0.57 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 1rzz n ALA 106 Cb 0.97 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 1rzz n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rzz n ALA 107 N -1.51 1.32 -1.74 0.00 0.00 -1.26 -4.93 120.51 112.39 1rzz n ALA 107 Ca 0.04 0.38 -0.37 0.00 0.00 0.00 0.00 53.44 53.49 1rzz n ALA 107 Cb 0.33 -2.27 0.05 0.00 0.00 0.00 0.00 19.45 17.57 1rzz n ALA 107 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1rzz s PRO 108 N -1.40 2.74 0.25 0.00 0.02 -1.26 -3.58 135.00 131.77 1rzz s PRO 108 Ca 0.59 2.00 -0.11 0.00 0.02 0.00 0.00 61.00 63.50 1rzz s PRO 108 Cb -0.59 -1.91 0.35 0.00 0.02 0.00 0.00 34.50 32.38 1rzz s PRO 108 CO 0.58 -1.44 1.58 -0.07 -0.33 0.00 0.00 177.00 177.32 1rzz h LEU 109 N 0.73 -0.90 0.00 -5.54 -0.00 -1.92 0.25 115.31 107.93 1rzz h LEU 109 Ca -0.51 0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1rzz h LEU 109 Cb 1.32 0.57 0.00 0.00 -0.00 0.00 0.00 40.66 42.55 1rzz h LEU 109 CO 0.54 -0.29 0.00 0.29 -0.00 0.00 0.00 178.44 178.98 1rzz n LYS 110 N -5.54 0.74 -2.51 1.13 5.02 -1.26 -2.00 118.16 113.74 1rzz n LYS 110 Ca 0.12 0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 1rzz n LYS 110 Cb 0.43 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 1rzz n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1rzz n GLU 111 N -1.11 2.44 0.00 1.97 1.02 0.84 -4.95 120.64 120.85 1rzz n GLU 111 Ca 0.19 -3.81 0.00 0.00 -0.02 0.00 0.00 57.16 53.52 1rzz n GLU 111 Cb 0.15 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 1rzz n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rzz n GLY 112 N -0.50 3.94 0.32 0.62 0.00 -1.12 -4.33 105.19 104.12 1rzz n GLY 112 Ca 0.23 -0.96 0.01 0.00 0.00 0.00 0.00 46.02 45.30 1rzz n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rzz h GLY 113 N 0.00 1.28 1.35 -0.02 0.00 -1.49 -1.04 103.07 103.15 1rzz h GLY 113 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 1rzz h GLY 113 CO 0.00 0.24 -0.02 -2.00 0.00 0.00 0.00 176.54 174.76 1rzz h LEU 114 N 0.94 0.76 -0.43 3.11 5.85 -1.64 -1.10 115.31 122.79 1rzz h LEU 114 Ca 0.37 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1rzz h LEU 114 Cb 0.19 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1rzz h LEU 114 CO -0.18 0.84 0.20 -0.25 -0.34 0.00 0.00 178.44 178.71 1rzz h TRP 115 N 0.73 0.61 -0.76 1.25 7.01 -1.52 -0.40 115.95 122.88 1rzz h TRP 115 Ca 0.14 -0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.06 1rzz h TRP 115 Cb 0.48 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 1rzz h TRP 115 CO 0.02 0.50 0.27 -0.07 -2.79 0.00 0.00 178.44 176.37 1rzz h LEU 116 N 0.55 1.08 -0.26 0.65 3.38 -0.88 0.11 115.31 119.93 1rzz h LEU 116 Ca 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1rzz h LEU 116 Cb 0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1rzz h LEU 116 CO -0.02 0.98 0.06 0.40 0.09 0.00 0.00 178.44 179.95 1rzz h ILE 117 N 1.11 1.22 -0.73 1.22 2.04 -0.96 -0.05 117.51 121.35 1rzz h ILE 117 Ca 0.25 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.41 1rzz h ILE 117 Cb 0.27 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1rzz h ILE 117 CO -0.01 0.23 0.47 0.00 0.00 0.00 0.00 178.15 178.84 1rzz h ALA 118 N 0.88 0.95 -0.54 1.87 0.00 -0.82 -1.98 119.26 119.62 1rzz h ALA 118 Ca 0.08 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1rzz h ALA 118 Cb 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1rzz h ALA 118 CO 0.00 0.29 0.03 0.77 0.00 0.00 0.00 179.25 180.34 1rzz h SER 119 N 0.94 0.87 -0.85 0.00 0.02 -0.68 -1.14 113.55 112.70 1rzz h SER 119 Ca 0.28 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1rzz h SER 119 Cb -0.04 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.23 1rzz h SER 119 CO -0.09 0.91 0.44 0.15 -1.14 0.00 0.00 176.83 177.11 1rzz h PHE 120 N 0.84 1.20 -0.26 3.45 3.57 -0.39 0.20 116.94 125.54 1rzz h PHE 120 Ca 0.16 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1rzz h PHE 120 Cb 0.46 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1rzz h PHE 120 CO 0.03 0.85 -0.35 0.74 -2.23 0.00 0.00 178.31 177.34 1rzz h PHE 121 N 1.20 0.68 -0.38 0.41 0.04 -0.97 -2.09 116.94 115.82 1rzz h PHE 121 Ca 0.30 -0.18 -0.16 0.00 2.80 0.00 0.00 57.97 60.73 1rzz h PHE 121 Cb 0.07 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1rzz h PHE 121 CO 0.01 0.86 -0.38 1.98 -0.60 0.00 0.00 178.31 180.18 1rzz h MET 122 N 0.49 0.93 0.08 1.51 4.05 -0.59 -0.59 114.93 120.81 1rzz h MET 122 Ca 0.05 -0.48 0.02 0.00 -0.28 0.00 0.00 59.70 59.01 1rzz h MET 122 Cb 0.84 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.63 1rzz h MET 122 CO 0.07 1.14 -0.20 0.35 0.23 0.00 0.00 176.91 178.50 1rzz h PHE 123 N 0.76 -0.51 -0.45 1.39 3.57 -0.44 -0.80 116.94 120.46 1rzz h PHE 123 Ca 0.06 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1rzz h PHE 123 Cb 0.97 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1rzz h PHE 123 CO 0.06 -0.28 0.20 0.28 -2.23 0.00 0.00 178.31 176.34 1rzz h VAL 124 N -0.36 1.19 0.09 1.41 2.07 -1.31 -2.37 116.25 116.97 1rzz h VAL 124 Ca 0.04 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1rzz h VAL 124 Cb 0.39 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1rzz h VAL 124 CO -0.13 0.22 -0.26 0.00 0.02 0.00 0.00 177.57 177.41 1rzz h ALA 125 N 1.04 -0.42 -0.10 1.67 0.00 -0.70 -1.14 119.26 119.61 1rzz h ALA 125 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1rzz h ALA 125 Cb 0.15 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1rzz h ALA 125 CO -0.02 -0.79 0.05 0.28 0.00 0.00 0.00 179.25 178.78 1rzz h VAL 126 N -0.45 1.10 -0.58 0.00 2.07 -1.12 -1.61 116.25 115.66 1rzz h VAL 126 Ca 0.04 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1rzz h VAL 126 Cb 0.49 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1rzz h VAL 126 CO -0.17 0.09 0.15 -0.50 0.02 0.00 0.00 177.57 177.16 1rzz h TRP 127 N 0.05 0.97 0.00 1.57 4.06 -1.38 0.14 115.95 121.36 1rzz h TRP 127 Ca 0.03 -0.11 -0.08 0.00 2.06 0.00 0.00 58.89 60.80 1rzz h TRP 127 Cb 0.10 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 27.97 1rzz h TRP 127 CO -0.04 0.82 -0.36 0.66 -3.56 0.00 0.00 178.44 175.96 1rzz h SER 128 N 0.84 0.00 0.59 -3.49 4.64 -1.19 -1.03 113.55 113.90 1rzz h SER 128 Ca 0.18 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 1rzz h SER 128 Cb 0.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1rzz h SER 128 CO 0.00 0.36 -0.58 -0.25 -0.87 0.00 0.00 176.83 175.49 1rzz h TRP 129 N 0.00 0.00 -0.19 4.77 2.91 -0.59 -1.86 115.95 120.99 1rzz h TRP 129 Ca -0.00 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.96 1rzz h TRP 129 Cb 0.67 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.32 1rzz h TRP 129 CO 0.00 0.58 -0.09 2.35 -1.03 0.00 0.00 178.44 180.25 1rzz h TRP 130 N 0.00 0.46 -0.70 2.65 7.01 -0.03 -1.94 115.95 123.39 1rzz h TRP 130 Ca -0.01 -0.11 0.07 0.00 2.11 0.00 0.00 58.89 60.95 1rzz h TRP 130 Cb 1.03 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.94 1rzz h TRP 130 CO 0.00 0.69 0.46 0.78 -2.79 0.00 0.00 178.44 177.59 1rzz h GLY 131 N 0.09 0.91 1.19 2.65 0.00 -1.02 -0.81 103.07 106.09 1rzz h GLY 131 Ca 0.04 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1rzz h GLY 131 CO 0.03 0.21 0.14 -0.09 0.00 0.00 0.00 176.54 176.82 1rzz h ARG 132 N 0.71 1.00 -0.01 4.80 2.43 -1.04 -0.23 114.38 122.04 1rzz h ARG 132 Ca 0.31 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1rzz h ARG 132 Cb 0.28 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1rzz h ARG 132 CO -0.10 0.90 -0.36 1.79 -1.51 0.00 0.00 179.97 180.69 1rzz h THR 133 N 0.95 1.26 0.00 0.20 1.35 -0.37 -1.34 112.91 114.97 1rzz h THR 133 Ca 0.20 -1.25 -0.01 0.00 -0.55 0.00 0.00 66.41 64.79 1rzz h THR 133 Cb 0.36 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1rzz h THR 133 CO 0.00 0.36 -0.05 0.22 -0.25 0.00 0.00 175.52 175.80 1rzz h TYR 134 N 0.01 0.05 -0.34 4.73 3.20 -1.06 -3.25 116.97 120.31 1rzz h TYR 134 Ca -0.00 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.74 1rzz h TYR 134 Cb 0.65 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1rzz h TYR 134 CO 0.00 0.84 -0.21 -0.07 -1.64 0.00 0.00 178.16 177.08 1rzz h LEU 135 N -0.75 0.64 -1.30 2.82 3.38 -0.96 -1.28 115.31 117.86 1rzz h LEU 135 Ca -0.01 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1rzz h LEU 135 Cb 0.86 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1rzz h LEU 135 CO 0.01 0.85 -0.28 0.03 0.09 0.00 0.00 178.44 179.15 1rzz h ARG 136 N 0.57 0.12 0.02 1.13 2.47 -1.39 -0.74 114.38 116.55 1rzz h ARG 136 Ca 0.08 -0.04 -0.25 0.00 -1.26 0.00 0.00 59.98 58.52 1rzz h ARG 136 Cb 0.68 -0.01 0.01 0.00 -1.65 0.00 0.00 29.97 29.00 1rzz h ARG 136 CO 0.05 0.39 -1.02 0.00 0.56 0.00 0.00 179.97 179.95 1rzz h ALA 137 N 1.62 0.23 -0.56 0.04 0.00 -1.52 -3.17 119.26 115.90 1rzz h ALA 137 Ca 0.02 -0.72 -0.08 0.00 0.00 0.00 0.00 54.91 54.13 1rzz h ALA 137 Cb 0.55 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1rzz h ALA 137 CO 0.04 0.76 0.05 0.37 0.00 0.00 0.00 179.25 180.47 1rzz h GLN 138 N 0.29 0.92 0.00 0.00 4.15 -0.78 -0.37 115.11 119.32 1rzz h GLN 138 Ca -0.11 -0.25 -0.00 0.00 0.77 0.00 0.00 58.65 59.06 1rzz h GLN 138 Cb 1.67 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 29.25 1rzz h GLN 138 CO 0.19 0.89 -0.00 0.00 -1.93 0.00 0.00 178.83 177.97 1rzz h ALA 139 N 1.18 1.00 -0.04 3.38 0.00 -1.19 -2.24 119.26 121.34 1rzz h ALA 139 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1rzz h ALA 139 Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1rzz h ALA 139 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1rzz n LEU 140 N -3.09 2.77 0.00 0.00 4.77 -0.89 -1.07 117.00 119.48 1rzz n LEU 140 Ca 0.00 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 1rzz n LEU 140 Cb 0.28 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1rzz n LEU 140 CO 0.26 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1rzz n GLY 141 N 1.18 0.35 3.88 -0.72 0.00 -0.59 -4.96 105.19 104.33 1rzz n GLY 141 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1rzz n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rzz s MET 142 N -0.60 1.93 0.81 1.61 -1.94 -0.25 -4.99 119.30 115.87 1rzz s MET 142 Ca 0.00 0.20 -0.11 0.00 -1.71 0.00 0.00 55.69 54.07 1rzz s MET 142 Cb 0.00 -1.94 0.08 0.00 2.01 0.00 0.00 34.83 34.98 1rzz s MET 142 CO 0.00 -1.64 1.09 0.20 -0.01 0.00 0.00 175.02 174.66 1rzz s GLY 143 N -4.44 1.64 -0.21 -0.03 0.00 -1.26 -4.54 107.32 98.48 1rzz s GLY 143 Ca 0.62 -0.02 0.10 0.00 0.00 0.00 0.00 44.72 45.42 1rzz s GLY 143 CO 0.50 0.40 1.50 0.28 0.00 0.00 0.00 173.10 175.78 1rzz n LYS 144 N -3.57 3.76 -0.32 2.90 4.76 -1.26 -4.58 118.16 119.86 1rzz n LYS 144 Ca 0.07 -2.43 0.15 0.00 -2.87 0.00 0.00 58.31 53.24 1rzz n LYS 144 Cb 0.55 -2.07 0.39 0.00 -1.84 0.00 0.00 35.03 32.05 1rzz n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1rzz h HIS 145 N 2.79 0.88 -0.46 2.13 3.86 -1.97 -1.41 115.15 120.96 1rzz h HIS 145 Ca 0.07 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 1rzz h HIS 145 Cb 1.76 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 29.95 1rzz h HIS 145 CO 0.91 0.21 0.06 1.15 0.86 0.00 0.00 177.93 181.11 1rzz h THR 146 N 0.64 1.25 -0.65 2.45 2.02 -1.91 -1.23 112.91 115.48 1rzz h THR 146 Ca 0.54 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1rzz h THR 146 Cb 1.01 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 1rzz h THR 146 CO -0.31 0.33 0.34 0.00 0.37 0.00 0.00 175.52 176.25 1rzz h ALA 147 N 0.95 0.84 -0.36 6.16 0.00 -1.51 -0.76 119.26 124.57 1rzz h ALA 147 Ca 0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1rzz h ALA 147 Cb 0.41 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1rzz h ALA 147 CO 0.01 0.37 0.04 -1.49 0.00 0.00 0.00 179.25 178.18 1rzz h TRP 148 N 0.89 0.66 -0.68 0.00 -0.00 -1.31 -1.46 115.95 114.06 1rzz h TRP 148 Ca 0.23 -0.10 -0.07 0.00 -0.00 0.00 0.00 58.89 58.95 1rzz h TRP 148 Cb 0.07 -0.18 -0.03 0.00 -0.00 0.00 0.00 29.16 29.03 1rzz h TRP 148 CO -0.00 0.68 0.16 0.00 -0.00 0.00 0.00 178.44 179.28 1rzz h ALA 149 N 0.89 0.90 -0.41 1.49 0.00 -1.08 -2.47 119.26 118.58 1rzz h ALA 149 Ca 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1rzz h ALA 149 Cb 0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1rzz h ALA 149 CO 0.01 0.63 0.08 0.35 0.00 0.00 0.00 179.25 180.32 1rzz h PHE 150 N 1.03 0.63 -0.98 0.00 3.57 -0.97 -2.30 116.94 117.92 1rzz h PHE 150 Ca 0.21 -0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.75 1rzz h PHE 150 Cb 0.38 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 38.86 1rzz h PHE 150 CO 0.03 0.56 0.63 -0.07 -2.23 0.00 0.00 178.31 177.22 1rzz h LEU 151 N 0.60 0.96 -1.03 0.59 3.38 -0.78 -1.16 115.31 117.87 1rzz h LEU 151 Ca 0.14 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1rzz h LEU 151 Cb 0.26 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1rzz h LEU 151 CO -0.00 0.58 0.65 -1.28 0.09 0.00 0.00 178.44 178.48 1rzz h SER 152 N 1.07 1.06 -0.11 -0.43 0.87 -1.34 0.14 113.55 114.80 1rzz h SER 152 Ca 0.45 -0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.78 1rzz h SER 152 Cb 0.30 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1rzz h SER 152 CO -0.20 0.71 -0.78 0.00 -0.53 0.00 0.00 176.83 176.03 1rzz h ALA 153 N 1.44 0.34 -0.52 6.23 0.00 -1.34 -3.00 119.26 122.40 1rzz h ALA 153 Ca 0.41 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1rzz h ALA 153 Cb 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1rzz h ALA 153 CO -0.14 0.69 0.31 0.82 0.00 0.00 0.00 179.25 180.93 1rzz h ILE 154 N 0.52 1.15 -0.98 0.00 2.04 -0.52 -2.24 117.51 117.47 1rzz h ILE 154 Ca -0.05 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1rzz h ILE 154 Cb 1.40 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 1rzz h ILE 154 CO 0.16 0.15 0.63 -0.25 0.00 0.00 0.00 178.15 178.84 1rzz h TRP 155 N 0.71 1.25 -0.28 1.37 2.91 -0.61 0.26 115.95 121.56 1rzz h TRP 155 Ca 0.19 0.02 -0.18 0.00 1.13 0.00 0.00 58.89 60.04 1rzz h TRP 155 Cb -0.03 -0.42 -0.00 0.00 -0.51 0.00 0.00 29.16 28.20 1rzz h TRP 155 CO 0.00 0.81 -0.55 1.25 -1.03 0.00 0.00 178.44 178.92 1rzz h LEU 156 N 1.34 0.94 0.03 0.65 6.46 -1.40 -1.56 115.31 121.77 1rzz h LEU 156 Ca 0.36 -0.50 -0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1rzz h LEU 156 Cb -0.12 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.54 1rzz h LEU 156 CO -0.07 1.30 -0.01 -0.25 -0.62 0.00 0.00 178.44 178.78 1rzz h TRP 157 N 0.65 -0.04 -0.39 1.25 7.01 -1.08 -1.64 115.95 121.70 1rzz h TRP 157 Ca 0.01 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.02 1rzz h TRP 157 Cb 1.15 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 28.20 1rzz h TRP 157 CO 0.07 0.04 0.25 0.52 -2.79 0.00 0.00 178.44 176.54 1rzz h MET 158 N -0.11 0.50 -0.81 2.65 2.86 -0.49 -2.15 114.93 117.38 1rzz h MET 158 Ca -0.00 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1rzz h MET 158 Cb 0.10 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 1rzz h MET 158 CO 0.01 0.33 0.53 0.28 1.06 0.00 0.00 176.91 179.12 1rzz h VAL 159 N 0.52 1.18 -0.28 -2.22 2.07 -1.15 0.67 116.25 117.04 1rzz h VAL 159 Ca 0.15 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1rzz h VAL 159 Cb -0.05 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.73 1rzz h VAL 159 CO -0.04 0.20 -0.01 -0.07 0.02 0.00 0.00 177.57 177.67 1rzz h LEU 160 N 1.07 0.49 -1.63 2.57 3.38 -0.90 -2.05 115.31 118.25 1rzz h LEU 160 Ca 0.31 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1rzz h LEU 160 Cb -0.08 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1rzz h LEU 160 CO -0.08 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.75 1rzz n GLY 161 N -0.30 0.07 1.87 0.83 0.00 -0.85 -4.23 105.19 102.59 1rzz n GLY 161 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1rzz n GLY 161 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rzz n PHE 162 N 0.59 -1.77 -0.04 1.61 -0.00 0.04 -4.80 117.46 113.10 1rzz n PHE 162 Ca 0.07 0.31 -0.11 0.00 -0.00 0.00 0.00 57.45 57.72 1rzz n PHE 162 Cb 0.29 0.50 -0.05 0.00 -0.00 0.00 0.00 39.48 40.22 1rzz n PHE 162 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 1rzz h ILE 163 N 0.00 1.15 -0.16 -2.13 2.04 -1.18 -2.22 117.51 115.00 1rzz h ILE 163 Ca 0.00 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 1rzz h ILE 163 Cb 0.00 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1rzz h ILE 163 CO 0.00 0.14 -0.15 -0.09 0.00 0.00 0.00 178.15 178.04 1rzz h ARG 164 N 0.09 0.39 -0.98 2.37 2.43 -1.56 -1.87 114.38 115.25 1rzz h ARG 164 Ca 0.05 -0.20 0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1rzz h ARG 164 Cb 0.16 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.65 1rzz h ARG 164 CO -0.00 0.76 0.63 -1.35 -1.51 0.00 0.00 179.97 178.50 1rzz h PRO 165 N 0.04 1.06 -0.10 0.20 0.11 -1.75 0.21 132.00 131.76 1rzz h PRO 165 Ca 0.03 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1rzz h PRO 165 Cb 0.68 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 1rzz h PRO 165 CO 0.04 0.70 -0.00 0.82 -0.21 0.00 0.00 178.00 179.34 1rzz h ILE 166 N 1.09 1.26 -0.35 4.15 2.04 -1.35 0.51 117.51 124.86 1rzz h ILE 166 Ca 0.44 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1rzz h ILE 166 Cb 0.28 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1rzz h ILE 166 CO -0.19 0.23 0.17 -0.07 0.00 0.00 0.00 178.15 178.30 1rzz h LEU 167 N -0.09 0.42 -0.15 1.44 3.38 -0.75 -0.68 115.31 118.87 1rzz h LEU 167 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rzz h LEU 167 Cb 0.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1rzz h LEU 167 CO 0.01 0.36 0.00 0.24 0.09 0.00 0.00 178.44 179.13 1rzz h MET 168 N 0.48 0.00 0.00 1.13 2.86 -0.26 -3.48 114.93 115.66 1rzz h MET 168 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1rzz h MET 168 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1rzz h MET 168 CO -0.02 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.36 1rzz n GLY 169 N 1.04 0.79 3.60 8.32 0.00 0.07 -5.06 105.19 113.96 1rzz n GLY 169 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1rzz n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rzz s SER 170 N -2.07 -0.56 0.58 1.61 1.04 -0.62 -3.38 113.70 110.29 1rzz s SER 170 Ca 0.00 0.93 0.35 0.00 0.48 0.00 0.00 55.95 57.71 1rzz s SER 170 Cb 0.00 0.89 1.77 0.00 0.10 0.00 0.00 66.02 68.78 1rzz s SER 170 CO 0.00 -0.30 2.16 -0.50 0.98 0.00 0.00 173.24 175.59 1rzz h TRP 171 N 3.93 0.00 0.00 5.02 -0.00 -1.62 -2.70 115.95 120.58 1rzz h TRP 171 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.63 1rzz h TRP 171 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.32 1rzz h TRP 171 CO 0.35 0.05 0.09 0.66 -0.00 0.00 0.00 178.44 179.58 1rzz h SER 172 N 0.00 0.00 1.58 -3.49 4.64 -1.77 -0.88 113.55 113.63 1rzz h SER 172 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rzz h SER 172 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1rzz h SER 172 CO 0.01 0.00 -0.01 -0.33 -0.87 0.00 0.00 176.83 175.62 1rzz h GLU 173 N 0.00 0.00 -7.39 4.77 4.39 -1.79 -3.47 114.58 111.09 1rzz h GLU 173 Ca 0.00 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.25 1rzz h GLU 173 Cb 0.18 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 28.98 1rzz h GLU 173 CO 0.00 0.00 0.21 0.00 -1.16 0.00 0.00 179.01 178.06 1rzz s ALA 174 N -3.13 1.07 0.07 3.43 0.00 -0.34 -4.88 121.76 117.98 1rzz s ALA 174 Ca 0.10 -0.44 -0.23 0.00 0.00 0.00 0.00 51.96 51.39 1rzz s ALA 174 Cb 0.11 -3.08 -0.06 0.00 0.00 0.00 0.00 23.12 20.08 1rzz s ALA 174 CO 0.62 -2.79 0.70 0.08 0.00 0.00 0.00 175.76 174.36 1rzz s VAL 175 N -3.04 4.69 0.52 0.00 1.01 -1.26 -4.88 120.40 117.44 1rzz s VAL 175 Ca 0.65 1.49 -0.17 0.00 0.00 0.00 0.00 61.98 63.96 1rzz s VAL 175 Cb -0.18 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 1rzz s VAL 175 CO 0.57 0.44 0.99 -2.16 0.00 0.00 0.00 175.10 174.95 1rzz s PRO 176 N -0.51 3.88 -0.78 2.72 0.04 -1.26 -4.84 135.00 134.25 1rzz s PRO 176 Ca 0.35 1.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.21 1rzz s PRO 176 Cb -0.20 -2.12 0.11 0.00 0.04 0.00 0.00 34.50 32.32 1rzz s PRO 176 CO 0.22 -0.33 0.99 0.71 0.04 0.00 0.00 177.00 178.62 1rzz s TYR 177 N -2.53 2.99 -0.15 0.56 2.02 -0.38 -4.34 117.35 115.52 1rzz s TYR 177 Ca 0.60 -1.09 -0.30 0.00 -0.37 0.00 0.00 57.07 55.91 1rzz s TYR 177 Cb -0.11 -4.22 0.13 0.00 -0.40 0.00 0.00 41.96 37.36 1rzz s TYR 177 CO 0.30 -1.48 1.03 0.20 -1.57 0.00 0.00 175.55 174.03 1rzz s GLY 178 N 3.58 -0.27 0.01 0.71 0.00 -1.26 -1.80 107.32 108.28 1rzz s GLY 178 Ca 0.25 1.88 -0.17 0.00 0.00 0.00 0.00 44.72 46.68 1rzz s GLY 178 CO -0.01 0.87 0.95 -2.22 0.00 0.00 0.00 173.10 172.69 1rzz h ILE 179 N 2.36 0.00 -0.21 0.90 1.08 -1.76 -2.69 117.51 117.19 1rzz h ILE 179 Ca -0.17 -0.19 -0.17 0.00 -0.39 0.00 0.00 64.86 63.94 1rzz h ILE 179 Cb 1.18 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1rzz h ILE 179 CO 0.29 0.00 -0.52 -0.26 -0.69 0.00 0.00 178.15 176.98 1rzz h PHE 180 N -0.80 0.92 -0.94 1.37 0.04 -1.72 -3.26 116.94 112.56 1rzz h PHE 180 Ca -0.06 -0.35 0.11 0.00 2.80 0.00 0.00 57.97 60.47 1rzz h PHE 180 Cb 0.47 -0.16 -0.07 0.00 2.20 0.00 0.00 35.95 38.38 1rzz h PHE 180 CO 0.06 1.15 0.60 0.66 -0.60 0.00 0.00 178.31 180.18 1rzz h SER 181 N 0.43 0.83 1.03 2.17 4.64 -1.78 0.40 113.55 121.27 1rzz h SER 181 Ca -0.01 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1rzz h SER 181 Cb 1.13 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1rzz h SER 181 CO 0.11 0.46 0.00 1.12 -0.87 0.00 0.00 176.83 177.65 1rzz h HIS 182 N 0.90 0.00 0.15 4.77 2.07 -1.53 -0.47 115.15 121.04 1rzz h HIS 182 Ca 0.45 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.77 1rzz h HIS 182 Cb 0.48 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.49 1rzz h HIS 182 CO -0.00 0.00 -0.89 -0.07 -3.07 0.00 0.00 177.93 173.90 1rzz h LEU 183 N 0.00 0.52 -0.88 6.12 3.38 -0.33 -2.77 115.31 121.35 1rzz h LEU 183 Ca 0.00 -0.95 -0.02 0.00 0.09 0.00 0.00 57.88 57.00 1rzz h LEU 183 Cb 0.51 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1rzz h LEU 183 CO 0.00 1.43 0.47 0.44 0.09 0.00 0.00 178.44 180.86 1rzz h ASP 184 N -0.30 1.11 -0.83 -0.43 3.32 -0.72 -1.78 116.42 116.78 1rzz h ASP 184 Ca -0.15 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 56.81 1rzz h ASP 184 Cb 1.70 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.92 1rzz h ASP 184 CO 0.17 0.90 0.54 -0.25 -1.72 0.00 0.00 179.24 178.88 1rzz h TRP 185 N 1.24 1.02 -0.35 4.55 7.01 -1.14 0.48 115.95 128.76 1rzz h TRP 185 Ca 0.31 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.30 1rzz h TRP 185 Cb 0.05 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.75 1rzz h TRP 185 CO 0.01 0.61 0.07 1.15 -2.79 0.00 0.00 178.44 177.49 1rzz h THR 186 N 1.07 1.23 0.14 2.65 2.02 -1.12 0.16 112.91 119.07 1rzz h THR 186 Ca 0.32 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1rzz h THR 186 Cb -0.05 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1rzz h THR 186 CO -0.10 0.27 -0.07 -1.13 0.37 0.00 0.00 175.52 174.86 1rzz h ASN 187 N 0.41 -0.16 -0.73 4.18 -1.24 -1.07 -2.88 115.58 114.09 1rzz h ASN 187 Ca 0.11 -0.25 0.14 0.00 0.71 0.00 0.00 56.30 57.01 1rzz h ASN 187 Cb 0.33 0.04 -0.09 0.00 0.73 0.00 0.00 38.32 39.33 1rzz h ASN 187 CO 0.00 0.17 0.27 -1.13 -1.29 0.00 0.00 177.43 175.46 1rzz h ASN 188 N -0.51 0.23 -0.83 1.15 -1.24 -0.86 -0.70 115.58 112.82 1rzz h ASN 188 Ca -0.02 0.11 0.11 0.00 0.71 0.00 0.00 56.30 57.21 1rzz h ASN 188 Cb 0.40 0.10 -0.08 0.00 0.73 0.00 0.00 38.32 39.47 1rzz h ASN 188 CO 0.03 0.08 0.46 0.15 -1.29 0.00 0.00 177.43 176.87 1rzz h PHE 189 N 0.41 0.83 -0.13 0.67 3.04 -0.82 0.19 116.94 121.12 1rzz h PHE 189 Ca 0.40 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.35 1rzz h PHE 189 Cb 0.61 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.87 1rzz h PHE 189 CO -0.18 0.30 -0.03 1.03 -2.02 0.00 0.00 178.31 177.41 1rzz h SER 190 N 0.74 0.25 -0.50 0.41 0.87 -0.95 -2.37 113.55 112.00 1rzz h SER 190 Ca 0.41 -0.36 0.07 0.00 -1.23 0.00 0.00 61.79 60.68 1rzz h SER 190 Cb 0.44 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.28 1rzz h SER 190 CO -0.28 0.55 0.19 -0.07 -0.53 0.00 0.00 176.83 176.69 1rzz h LEU 191 N -0.06 0.20 -1.52 2.23 4.07 -0.50 -0.42 115.31 119.31 1rzz h LEU 191 Ca 0.03 0.06 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 1rzz h LEU 191 Cb 0.44 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 1rzz h LEU 191 CO 0.01 0.14 -0.13 0.58 -1.08 0.00 0.00 178.44 177.96 1rzz h VAL 192 N 0.37 0.40 -0.42 1.22 2.07 -0.63 -3.06 116.25 116.21 1rzz h VAL 192 Ca 0.24 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 1rzz h VAL 192 Cb 0.24 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1rzz h VAL 192 CO -0.23 0.13 0.04 1.41 0.02 0.00 0.00 177.57 178.94 1rzz n HIS 193 N -3.37 1.46 -2.91 1.57 8.25 -0.82 -4.85 115.22 114.55 1rzz n HIS 193 Ca -0.00 -0.96 -0.09 0.00 -0.26 0.00 0.00 57.72 56.40 1rzz n HIS 193 Cb 0.33 -0.44 0.03 0.00 1.12 0.00 0.00 29.99 31.03 1rzz n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rzz n GLY 194 N -0.26 0.38 1.54 -1.41 0.00 -1.04 -1.23 105.19 103.17 1rzz n GLY 194 Ca 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 1rzz n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rzz n ASN 195 N -0.27 -3.51 0.12 1.61 4.05 -0.23 -3.18 115.26 113.86 1rzz n ASN 195 Ca 0.00 0.53 0.11 0.00 0.45 0.00 0.00 54.58 55.67 1rzz n ASN 195 Cb 0.52 -2.31 0.48 0.00 1.23 0.00 0.00 39.78 39.71 1rzz n ASN 195 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1rzz n LEU 196 N 0.56 0.55 0.29 1.20 7.94 -1.26 -2.31 117.00 123.97 1rzz n LEU 196 Ca -0.04 0.67 0.16 0.00 -1.11 0.00 0.00 56.01 55.70 1rzz n LEU 196 Cb 0.06 -0.64 0.89 0.00 0.53 0.00 0.00 43.42 44.26 1rzz n LEU 196 CO 0.04 -0.65 1.07 -0.26 -1.11 0.00 0.00 177.39 176.47 1rzz h PHE 197 N 0.00 0.00 -0.01 1.96 0.04 -1.96 -0.04 116.94 116.94 1rzz h PHE 197 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1rzz h PHE 197 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1rzz h PHE 197 CO 0.00 0.05 -0.15 0.66 -0.60 0.00 0.00 178.31 178.27 1rzz n TYR 198 N -3.51 0.00 -2.69 -0.55 4.01 -0.98 -4.75 117.16 108.69 1rzz n TYR 198 Ca -0.02 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.29 1rzz n TYR 198 Cb 0.16 -0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 39.01 1rzz n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1rzz s ASN 199 N -2.46 6.67 0.29 7.72 3.84 -0.03 -4.78 114.94 126.19 1rzz s ASN 199 Ca 0.28 0.53 0.04 0.00 0.21 0.00 0.00 52.86 53.92 1rzz s ASN 199 Cb 0.20 -2.51 0.67 0.00 -0.55 0.00 0.00 41.25 39.06 1rzz s ASN 199 CO 0.48 -1.07 1.78 1.55 -2.79 0.00 0.00 177.10 177.05 1rzz h PRO 200 N 8.85 0.75 0.00 0.43 0.13 -1.85 -0.53 132.00 139.78 1rzz h PRO 200 Ca -0.23 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.79 1rzz h PRO 200 Cb 1.07 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1rzz h PRO 200 CO 1.06 0.50 -0.34 0.74 -0.23 0.00 0.00 178.00 179.73 1rzz h PHE 201 N 0.77 0.00 -0.18 1.56 0.04 -1.91 -1.61 116.94 115.61 1rzz h PHE 201 Ca 0.55 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 61.14 1rzz h PHE 201 Cb 0.79 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.94 1rzz h PHE 201 CO -0.02 0.34 -0.61 1.25 -0.60 0.00 0.00 178.31 178.68 1rzz h HIS 202 N 0.00 0.79 -0.55 -0.55 2.76 -1.39 -1.08 115.15 115.12 1rzz h HIS 202 Ca -0.00 -0.30 -0.11 0.00 -2.20 0.00 0.00 60.37 57.76 1rzz h HIS 202 Cb 0.81 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 1rzz h HIS 202 CO 0.00 1.07 -0.08 0.78 -1.30 0.00 0.00 177.93 178.40 1rzz h GLY 203 N 0.97 1.10 0.81 5.26 0.00 -0.91 -1.87 103.07 108.43 1rzz h GLY 203 Ca -0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 47.33 46.44 1rzz h GLY 203 CO 0.12 0.79 0.01 1.41 0.00 0.00 0.00 176.54 178.87 1rzz h LEU 204 N 0.92 0.31 -1.11 3.11 3.38 -1.23 -1.71 115.31 118.97 1rzz h LEU 204 Ca 0.15 -0.29 0.15 0.00 0.09 0.00 0.00 57.88 57.97 1rzz h LEU 204 Cb 0.64 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 1rzz h LEU 204 CO 0.04 0.53 0.61 -1.28 0.09 0.00 0.00 178.44 178.43 1rzz h SER 205 N 0.08 0.79 -0.47 -0.43 0.87 -1.05 0.24 113.55 113.59 1rzz h SER 205 Ca 0.05 0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.56 1rzz h SER 205 Cb 0.36 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1rzz h SER 205 CO 0.01 0.38 -0.12 0.40 -0.53 0.00 0.00 176.83 176.96 1rzz h ILE 206 N 0.83 1.27 -0.57 2.23 2.04 -1.12 -1.09 117.51 121.11 1rzz h ILE 206 Ca 0.50 -1.25 0.08 0.00 1.00 0.00 0.00 64.86 65.19 1rzz h ILE 206 Cb 0.69 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 1rzz h ILE 206 CO -0.27 0.43 0.23 0.00 0.00 0.00 0.00 178.15 178.54 1rzz h ALA 207 N 0.88 0.73 0.00 1.87 0.00 0.33 0.22 119.26 123.28 1rzz h ALA 207 Ca 0.12 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1rzz h ALA 207 Cb 0.68 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1rzz h ALA 207 CO 0.05 -0.16 -0.55 0.74 0.00 0.00 0.00 179.25 179.33 1rzz h PHE 208 N 0.43 0.00 -0.03 0.00 0.04 -0.96 0.38 116.94 116.80 1rzz h PHE 208 Ca 0.28 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.01 1rzz h PHE 208 Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1rzz h PHE 208 CO -0.15 0.55 -0.12 1.25 -0.60 0.00 0.00 178.31 179.24 1rzz h LEU 209 N 0.00 0.16 -0.45 1.54 5.85 -0.22 0.17 115.31 122.36 1rzz h LEU 209 Ca -0.01 -0.63 -0.02 0.00 0.84 0.00 0.00 57.88 58.06 1rzz h LEU 209 Cb 1.17 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1rzz h LEU 209 CO 0.07 0.77 0.20 1.88 -0.34 0.00 0.00 178.44 181.02 1rzz h TYR 210 N -0.43 0.66 0.00 1.25 0.05 -0.61 -2.69 116.97 115.20 1rzz h TYR 210 Ca -0.01 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1rzz h TYR 210 Cb 0.75 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.29 1rzz h TYR 210 CO 0.14 0.54 -0.03 0.78 -1.05 0.00 0.00 178.16 178.54 1rzz h GLY 211 N 0.58 0.00 1.66 3.88 0.00 -0.13 0.20 103.07 109.26 1rzz h GLY 211 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.28 1rzz h GLY 211 CO -0.02 0.00 -0.86 1.76 0.00 0.00 0.00 176.54 177.42 1rzz h SER 212 N 0.00 0.39 0.47 0.19 0.02 -0.33 -0.44 113.55 113.85 1rzz h SER 212 Ca -0.00 -0.30 -0.22 0.00 -0.84 0.00 0.00 61.79 60.42 1rzz h SER 212 Cb 0.06 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1rzz h SER 212 CO 0.00 1.09 -0.97 0.00 -1.14 0.00 0.00 176.83 175.81 1rzz h ALA 213 N 0.89 0.37 0.34 3.77 0.00 -1.12 -1.53 119.26 121.99 1rzz h ALA 213 Ca -0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 1rzz h ALA 213 Cb 1.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1rzz h ALA 213 CO 0.14 0.88 -0.16 1.25 0.00 0.00 0.00 179.25 181.36 1rzz h LEU 214 N 0.16 -0.39 -0.63 0.00 5.85 -0.91 -1.94 115.31 117.46 1rzz h LEU 214 Ca -0.08 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.49 1rzz h LEU 214 Cb 1.62 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 1rzz h LEU 214 CO 0.16 -0.24 -0.45 0.25 -0.34 0.00 0.00 178.44 177.82 1rzz h LEU 215 N -0.50 0.58 -0.52 2.25 5.85 -1.12 -1.55 115.31 120.30 1rzz h LEU 215 Ca -0.05 -0.28 -0.16 0.00 0.84 0.00 0.00 57.88 58.24 1rzz h LEU 215 Cb 0.38 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1rzz h LEU 215 CO 0.08 0.95 -0.73 0.15 -0.34 0.00 0.00 178.44 178.54 1rzz h PHE 216 N 0.43 0.09 -0.33 1.25 3.04 -1.29 0.40 116.94 120.52 1rzz h PHE 216 Ca 0.03 -0.04 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 1rzz h PHE 216 Cb 0.97 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 1rzz h PHE 216 CO 0.04 0.77 -0.22 0.00 -2.02 0.00 0.00 178.31 176.88 1rzz h ALA 217 N 1.21 0.47 0.35 2.41 0.00 -1.30 0.27 119.26 122.68 1rzz h ALA 217 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1rzz h ALA 217 Cb 1.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rzz h ALA 217 CO 0.10 0.44 -0.17 0.52 0.00 0.00 0.00 179.25 180.14 1rzz h MET 218 N 0.50 -0.46 -0.36 0.00 2.86 -1.02 -1.51 114.93 114.94 1rzz h MET 218 Ca 0.07 0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1rzz h MET 218 Cb 0.78 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1rzz h MET 218 CO 0.06 -0.26 -0.00 1.25 1.06 0.00 0.00 176.91 179.02 1rzz h HIS 219 N -0.55 0.70 -0.80 -0.22 -0.00 -0.17 -1.02 115.15 113.09 1rzz h HIS 219 Ca -0.05 -0.12 -0.05 0.00 -0.00 0.00 0.00 60.37 60.15 1rzz h HIS 219 Cb 0.41 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.60 1rzz h HIS 219 CO -0.03 0.74 0.31 0.78 -0.00 0.00 0.00 177.93 179.73 1rzz h GLY 220 N 0.46 1.28 1.29 5.26 0.00 -0.48 -0.82 103.07 110.07 1rzz h GLY 220 Ca 0.10 -0.71 -0.13 0.00 0.00 0.00 0.00 47.33 46.60 1rzz h GLY 220 CO 0.02 0.66 -0.28 0.00 0.00 0.00 0.00 176.54 176.94 1rzz h ALA 221 N 1.17 0.79 0.00 3.60 0.00 -1.21 -2.19 119.26 121.43 1rzz h ALA 221 Ca 0.26 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1rzz h ALA 221 Cb 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1rzz h ALA 221 CO -0.02 0.65 -0.00 1.15 0.00 0.00 0.00 179.25 181.03 1rzz h THR 222 N 0.68 1.16 -0.56 0.00 2.02 -0.80 0.27 112.91 115.68 1rzz h THR 222 Ca 0.08 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1rzz h THR 222 Cb 0.82 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1rzz h THR 222 CO 0.07 0.13 0.37 0.40 0.37 0.00 0.00 175.52 176.85 1rzz h ILE 223 N -0.21 1.15 -0.60 3.11 1.08 -1.15 -1.65 117.51 119.24 1rzz h ILE 223 Ca -0.00 -0.28 -0.07 0.00 -0.39 0.00 0.00 64.86 64.12 1rzz h ILE 223 Cb 0.21 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.27 1rzz h ILE 223 CO 0.00 0.14 0.09 -0.07 -0.69 0.00 0.00 178.15 177.63 1rzz h LEU 224 N 0.76 0.92 -2.16 1.44 3.38 -1.32 -0.93 115.31 117.40 1rzz h LEU 224 Ca 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1rzz h LEU 224 Cb -0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 1rzz h LEU 224 CO -0.04 0.93 -0.06 0.00 0.09 0.00 0.00 178.44 179.35 1rzz h ALA 225 N 1.18 1.22 -0.13 1.53 0.00 -0.29 -2.49 119.26 120.28 1rzz h ALA 225 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rzz h ALA 225 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rzz h ALA 225 CO 0.01 0.08 0.00 1.33 0.00 0.00 0.00 179.25 180.67 1rzz n VAL 226 N -3.49 1.81 0.32 0.00 0.24 -0.68 -4.53 118.33 112.01 1rzz n VAL 226 Ca -0.02 -1.82 0.15 0.00 -2.04 0.00 0.00 64.34 60.61 1rzz n VAL 226 Cb 0.19 -0.06 0.63 0.00 -1.47 0.00 0.00 33.84 33.12 1rzz n VAL 226 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1rzz h SER 227 N 0.86 0.00 0.22 -1.34 4.64 -0.71 -1.58 113.55 115.64 1rzz h SER 227 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rzz h SER 227 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1rzz h SER 227 CO 0.08 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.93 1rzz n ARG 228 N -2.78 0.06 -0.13 4.77 1.85 -1.26 -0.92 116.66 118.25 1rzz n ARG 228 Ca 0.01 0.47 0.08 0.00 -1.00 0.00 0.00 57.85 57.41 1rzz n ARG 228 Cb 0.27 -1.67 0.11 0.00 -1.05 0.00 0.00 32.46 30.13 1rzz n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1rzz n PHE 229 N -1.79 0.00 -1.65 2.89 3.72 -0.66 -4.97 117.46 114.99 1rzz n PHE 229 Ca 0.01 -0.83 -0.05 0.00 -0.05 0.00 0.00 57.45 56.53 1rzz n PHE 229 Cb 0.08 -0.13 -0.01 0.00 -0.94 0.00 0.00 39.48 38.48 1rzz n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rzz n GLY 230 N -1.19 0.44 0.32 1.37 0.00 -0.09 -4.58 105.19 101.46 1rzz n GLY 230 Ca 0.13 -0.75 0.15 0.00 0.00 0.00 0.00 46.02 45.55 1rzz n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rzz h GLY 231 N 0.00 0.00 2.00 -0.02 0.00 -1.55 -2.00 103.07 101.51 1rzz h GLY 231 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1rzz h GLY 231 CO 0.14 0.00 -0.08 0.83 0.00 0.00 0.00 176.54 177.44 1rzz h GLU 232 N 0.00 0.00 -3.44 4.80 3.07 -1.83 -3.25 114.58 113.92 1rzz h GLU 232 Ca 0.09 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.37 1rzz h GLU 232 Cb 0.42 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1rzz h GLU 232 CO -0.00 0.08 3.22 0.00 -1.40 0.00 0.00 179.01 180.90 1rzz h GLU 234 N 5.85 -0.08 -0.57 0.00 5.08 -1.83 0.34 114.58 123.37 1rzz h GLU 234 Ca 0.67 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 59.09 1rzz h GLU 234 Cb 0.34 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1rzz h GLU 234 CO 1.72 -0.06 0.38 -0.07 -1.00 0.00 0.00 179.01 179.98 1rzz h LEU 235 N -0.09 0.48 -0.68 1.33 3.38 -1.93 0.60 115.31 118.40 1rzz h LEU 235 Ca 0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1rzz h LEU 235 Cb 0.21 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1rzz h LEU 235 CO -0.20 0.32 -0.40 -0.08 0.09 0.00 0.00 178.44 178.17 1rzz h GLU 236 N 0.55 0.57 0.00 1.13 4.81 -1.68 -2.18 114.58 117.78 1rzz h GLU 236 Ca 0.24 -0.29 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1rzz h GLU 236 Cb 0.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1rzz h GLU 236 CO -0.07 0.87 -0.39 1.96 -0.73 0.00 0.00 179.01 180.65 1rzz h GLN 237 N 0.47 0.00 -0.05 1.92 1.08 0.73 -1.61 115.11 117.65 1rzz h GLN 237 Ca 0.04 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 1rzz h GLN 237 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1rzz h GLN 237 CO 0.08 0.39 -0.23 0.82 -0.95 0.00 0.00 178.83 178.93 1rzz h ILE 238 N 0.00 1.45 -0.13 2.54 2.04 -0.68 -2.45 117.51 120.28 1rzz h ILE 238 Ca -0.00 -1.67 -0.12 0.00 1.00 0.00 0.00 64.86 64.06 1rzz h ILE 238 Cb 1.09 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 39.54 1rzz h ILE 238 CO 0.05 0.47 -0.46 0.00 0.00 0.00 0.00 178.15 178.21 1rzz h ALA 239 N 0.41 0.97 -2.00 1.87 0.00 -1.40 -3.39 119.26 115.71 1rzz h ALA 239 Ca -0.01 -0.45 -0.45 0.00 0.00 0.00 0.00 54.91 53.99 1rzz h ALA 239 Cb 0.89 -0.09 -0.32 0.00 0.00 0.00 0.00 17.79 18.26 1rzz h ALA 239 CO 0.05 0.64 -0.81 0.34 0.00 0.00 0.00 179.25 179.47 1rzz s ASP 240 N -6.88 0.85 0.08 0.00 2.15 -0.61 -5.11 116.67 107.15 1rzz s ASP 240 Ca -0.05 -2.42 -0.36 0.00 0.43 0.00 0.00 52.55 50.14 1rzz s ASP 240 Cb 0.13 0.28 -0.18 0.00 -0.30 0.00 0.00 42.92 42.84 1rzz s ASP 240 CO 0.79 -0.17 1.13 -1.14 -0.17 0.00 0.00 175.17 175.61 1rzz n ARG 241 N 3.23 0.60 -4.69 4.34 0.63 -0.92 -4.49 116.66 115.36 1rzz n ARG 241 Ca 0.22 0.21 -0.33 0.00 -0.92 0.00 0.00 57.85 57.04 1rzz n ARG 241 Cb 0.48 -1.71 -0.07 0.00 0.45 0.00 0.00 32.46 31.61 1rzz n ARG 241 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rzz n GLY 242 N 1.97 3.54 0.30 5.14 0.00 -1.26 -5.02 105.19 109.85 1rzz n GLY 242 Ca 0.18 -2.37 0.18 0.00 0.00 0.00 0.00 46.02 44.01 1rzz n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rzz h THR 243 N 1.25 0.25 -0.26 2.61 1.03 -1.94 -2.08 112.91 113.77 1rzz h THR 243 Ca -0.43 -0.28 -0.04 0.00 -0.01 0.00 0.00 66.41 65.66 1rzz h THR 243 Cb 1.29 1.22 -0.01 0.00 -1.07 0.00 0.00 68.15 69.58 1rzz h THR 243 CO 0.70 0.04 0.02 0.00 -0.01 0.00 0.00 175.52 176.27 1rzz h ALA 244 N 1.96 0.35 -0.26 0.00 0.00 -1.89 -0.27 119.26 119.15 1rzz h ALA 244 Ca -0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1rzz h ALA 244 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1rzz h ALA 244 CO 0.01 0.07 -0.27 0.00 0.00 0.00 0.00 179.25 179.05 1rzz h ALA 245 N 0.83 1.04 -0.13 0.00 0.00 -1.77 -2.00 119.26 117.24 1rzz h ALA 245 Ca 0.08 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1rzz h ALA 245 Cb 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rzz h ALA 245 CO 0.01 0.58 -0.19 0.93 0.00 0.00 0.00 179.25 180.58 1rzz h GLU 246 N 0.45 0.35 -0.66 0.00 5.08 -1.32 -2.16 114.58 116.32 1rzz h GLU 246 Ca 0.06 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1rzz h GLU 246 Cb 0.71 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1rzz h GLU 246 CO 0.05 0.79 0.15 0.00 -1.00 0.00 0.00 179.01 179.00 1rzz h ARG 247 N -0.05 1.07 -0.15 2.33 3.08 -1.01 -0.56 114.38 119.09 1rzz h ARG 247 Ca 0.01 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 59.82 1rzz h ARG 247 Cb 0.75 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1rzz h ARG 247 CO 0.04 0.96 -0.00 0.00 -1.07 0.00 0.00 179.97 179.90 1rzz h ALA 248 N 1.06 0.13 -0.80 0.04 0.00 -1.38 0.06 119.26 118.36 1rzz h ALA 248 Ca 0.21 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1rzz h ALA 248 Cb 0.38 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1rzz h ALA 248 CO 0.00 -0.45 0.37 0.00 0.00 0.00 0.00 179.25 179.18 1rzz h ALA 249 N 1.13 1.15 0.00 0.00 0.00 -1.12 -2.88 119.26 117.55 1rzz h ALA 249 Ca 0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1rzz h ALA 249 Cb 0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1rzz h ALA 249 CO -0.12 0.64 -0.58 -0.07 0.00 0.00 0.00 179.25 179.12 1rzz h LEU 250 N 1.14 0.00 0.01 0.00 3.38 -0.60 -0.69 115.31 118.55 1rzz h LEU 250 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1rzz h LEU 250 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1rzz h LEU 250 CO -0.03 0.58 -0.03 0.15 0.09 0.00 0.00 178.44 179.20 1rzz h PHE 251 N 0.00 -0.07 -0.24 1.13 3.57 -0.78 0.08 116.94 120.64 1rzz h PHE 251 Ca -0.01 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.34 1rzz h PHE 251 Cb 1.13 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 1rzz h PHE 251 CO 0.00 -0.04 -0.47 -1.49 -2.23 0.00 0.00 178.31 174.08 1rzz h TRP 252 N -0.05 0.77 -0.44 0.41 4.06 -1.46 -0.78 115.95 118.46 1rzz h TRP 252 Ca 0.01 -0.25 -0.03 0.00 2.06 0.00 0.00 58.89 60.68 1rzz h TRP 252 Cb 0.06 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.05 1rzz h TRP 252 CO -0.10 0.98 0.16 -0.09 -3.56 0.00 0.00 178.44 175.83 1rzz h ARG 253 N 0.50 0.66 0.00 0.49 2.43 -0.97 0.47 114.38 117.96 1rzz h ARG 253 Ca 0.03 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 1rzz h ARG 253 Cb 1.00 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 1rzz h ARG 253 CO 0.09 0.62 -0.54 -1.49 -1.51 0.00 0.00 179.97 177.15 1rzz h TRP 254 N 0.56 0.00 0.05 2.20 6.55 -0.91 -0.10 115.95 124.31 1rzz h TRP 254 Ca 0.14 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.98 1rzz h TRP 254 Cb 0.22 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.52 1rzz h TRP 254 CO 0.01 0.54 -0.02 1.15 -1.05 0.00 0.00 178.44 179.06 1rzz h THR 255 N 0.00 0.96 -0.06 1.49 2.02 -0.83 -3.41 112.91 113.08 1rzz h THR 255 Ca -0.01 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.61 1rzz h THR 255 Cb 0.95 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1rzz h THR 255 CO 0.07 0.30 0.00 1.15 0.37 0.00 0.00 175.52 177.41 1rzz n MET 256 N -4.76 2.78 -0.39 6.66 0.00 0.13 -5.02 117.12 116.53 1rzz n MET 256 Ca -0.06 -1.75 0.00 0.00 0.00 0.00 0.00 57.70 55.89 1rzz n MET 256 Cb 0.27 -1.12 0.00 0.00 0.00 0.00 0.00 33.22 32.36 1rzz n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1rzz n GLY 257 N -0.44 1.56 3.54 3.17 0.00 -0.05 -5.00 105.19 107.97 1rzz n GLY 257 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1rzz n GLY 257 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rzz s PHE 258 N -3.14 -0.02 0.37 1.61 -0.71 -1.25 -4.92 117.98 109.92 1rzz s PHE 258 Ca 0.00 -0.34 -0.05 0.00 -1.04 0.00 0.00 56.93 55.50 1rzz s PHE 258 Cb 0.00 0.35 0.02 0.00 -1.21 0.00 0.00 43.02 42.18 1rzz s PHE 258 CO 0.00 -0.93 0.58 0.27 -1.34 0.00 0.00 175.22 173.79 1rzz n ASN 259 N -0.34 -1.63 -1.58 1.98 6.94 -1.26 -3.19 115.26 116.18 1rzz n ASN 259 Ca -0.08 -2.87 0.00 0.00 -0.02 0.00 0.00 54.58 51.61 1rzz n ASN 259 Cb 0.62 2.92 0.00 0.00 -2.36 0.00 0.00 39.78 40.97 1rzz n ASN 259 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rzz n ALA 260 N -0.61 0.00 -2.51 -2.53 0.00 -1.26 -5.05 120.51 108.55 1rzz n ALA 260 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 1rzz n ALA 260 Cb 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.95 1rzz n ALA 260 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rzz s THR 261 N -0.58 1.83 0.37 0.00 -4.23 -1.26 -4.78 115.64 107.00 1rzz s THR 261 Ca 0.00 -2.10 0.05 0.00 -1.18 0.00 0.00 61.69 58.46 1rzz s THR 261 Cb 0.00 -2.67 0.28 0.00 1.34 0.00 0.00 72.50 71.44 1rzz s THR 261 CO 0.00 -0.16 2.00 -0.03 -0.54 0.00 0.00 174.62 175.89 1rzz h MET 262 N 2.07 0.71 0.14 3.99 4.05 -1.91 -0.67 114.93 123.31 1rzz h MET 262 Ca -0.42 -0.04 -0.26 0.00 -0.28 0.00 0.00 59.70 58.70 1rzz h MET 262 Cb 1.24 -0.16 0.01 0.00 -0.80 0.00 0.00 31.60 31.89 1rzz h MET 262 CO 0.71 0.47 -1.27 1.49 0.23 0.00 0.00 176.91 178.54 1rzz h GLU 263 N 0.73 0.30 -0.13 0.39 4.81 -1.94 -3.37 114.58 115.37 1rzz h GLU 263 Ca 0.24 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1rzz h GLU 263 Cb 0.07 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1rzz h GLU 263 CO -0.07 1.24 0.04 0.78 -0.73 0.00 0.00 179.01 180.28 1rzz h GLY 264 N -0.01 0.19 2.00 1.92 0.00 -1.89 -2.50 103.07 102.79 1rzz h GLY 264 Ca -0.26 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1rzz h GLY 264 CO 0.11 0.08 -0.15 1.19 0.00 0.00 0.00 176.54 177.76 1rzz h ILE 265 N 0.18 0.77 0.00 2.60 6.09 -1.28 -1.20 117.51 124.67 1rzz h ILE 265 Ca 0.05 -0.61 0.00 0.00 -1.37 0.00 0.00 64.86 62.93 1rzz h ILE 265 Cb 0.06 1.37 0.00 0.00 0.47 0.00 0.00 36.82 38.71 1rzz h ILE 265 CO -0.00 0.15 -0.11 0.45 -3.07 0.00 0.00 178.15 175.56 1rzz h HIS 266 N 0.00 0.00 0.18 2.19 3.86 -1.64 -1.49 115.15 118.25 1rzz h HIS 266 Ca -0.00 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.90 1rzz h HIS 266 Cb 0.35 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.86 1rzz h HIS 266 CO 0.00 0.00 -1.30 0.00 0.86 0.00 0.00 177.93 177.49 1rzz h ARG 267 N 0.00 0.56 -0.87 2.45 3.08 -1.29 -1.67 114.38 116.64 1rzz h ARG 267 Ca 0.00 -0.85 0.01 0.00 0.07 0.00 0.00 59.98 59.21 1rzz h ARG 267 Cb 0.88 0.30 -0.04 0.00 0.08 0.00 0.00 29.97 31.19 1rzz h ARG 267 CO 0.00 1.40 0.58 -1.49 -1.07 0.00 0.00 179.97 179.38 1rzz h TRP 268 N 0.16 1.10 -0.23 3.04 4.06 -1.28 -2.51 115.95 120.28 1rzz h TRP 268 Ca -0.21 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 60.69 1rzz h TRP 268 Cb 2.00 -0.37 -0.01 0.00 -1.00 0.00 0.00 29.16 29.78 1rzz h TRP 268 CO 0.13 0.69 -0.12 0.00 -3.56 0.00 0.00 178.44 175.58 1rzz h ALA 269 N 1.32 0.33 -0.18 1.49 0.00 -1.23 -1.56 119.26 119.44 1rzz h ALA 269 Ca 0.32 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1rzz h ALA 269 Cb -0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1rzz h ALA 269 CO -0.07 0.19 -0.26 0.97 0.00 0.00 0.00 179.25 180.08 1rzz h ILE 270 N 0.20 1.25 0.06 0.00 2.10 -1.23 -2.35 117.51 117.55 1rzz h ILE 270 Ca 0.05 -1.19 -0.26 0.00 1.08 0.00 0.00 64.86 64.53 1rzz h ILE 270 Cb 0.63 1.41 0.01 0.00 -1.09 0.00 0.00 36.82 37.78 1rzz h ILE 270 CO 0.04 0.37 -1.11 -0.50 -1.08 0.00 0.00 178.15 175.87 1rzz h TRP 271 N 0.29 0.76 -0.53 2.19 4.06 -1.45 -0.82 115.95 120.45 1rzz h TRP 271 Ca 0.04 -0.46 0.04 0.00 2.06 0.00 0.00 58.89 60.58 1rzz h TRP 271 Cb 0.62 -0.07 -0.04 0.00 -1.00 0.00 0.00 29.16 28.67 1rzz h TRP 271 CO 0.01 1.30 0.28 1.98 -3.56 0.00 0.00 178.44 178.46 1rzz h MET 272 N 0.23 0.52 0.03 0.49 4.05 -1.09 -0.78 114.93 118.39 1rzz h MET 272 Ca -0.13 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1rzz h MET 272 Cb 1.77 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.46 1rzz h MET 272 CO 0.20 0.35 -0.02 0.00 0.23 0.00 0.00 176.91 177.67 1rzz h ALA 273 N 1.28 -0.04 -0.24 0.39 0.00 -1.44 -3.27 119.26 115.94 1rzz h ALA 273 Ca 0.23 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1rzz h ALA 273 Cb 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1rzz h ALA 273 CO -0.15 -0.23 0.18 0.28 0.00 0.00 0.00 179.25 179.32 1rzz h VAL 274 N -0.63 0.85 0.00 0.00 2.07 -1.05 -1.30 116.25 116.19 1rzz h VAL 274 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1rzz h VAL 274 Cb 0.58 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1rzz h VAL 274 CO 0.01 0.00 -0.12 -0.07 0.02 0.00 0.00 177.57 177.41 1rzz h LEU 275 N 0.00 0.00 0.27 2.57 3.38 -1.19 -2.36 115.31 117.98 1rzz h LEU 275 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1rzz h LEU 275 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1rzz h LEU 275 CO -0.00 0.12 -0.33 0.58 0.09 0.00 0.00 178.44 178.90 1rzz h VAL 276 N 0.00 0.00 0.00 1.22 2.07 -1.31 -1.67 116.25 116.55 1rzz h VAL 276 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 1rzz h VAL 276 Cb 0.70 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1rzz h VAL 276 CO 0.02 0.00 -0.45 0.71 0.02 0.00 0.00 177.57 177.87 1rzz h THR 277 N -0.61 0.84 0.39 2.57 1.35 -1.71 -1.81 112.91 113.92 1rzz h THR 277 Ca -0.03 -1.96 -0.02 0.00 -0.55 0.00 0.00 66.41 63.85 1rzz h THR 277 Cb 0.54 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1rzz h THR 277 CO -0.07 0.44 -0.19 0.25 -0.25 0.00 0.00 175.52 175.70 1rzz h LEU 278 N 0.00 -0.44 -0.67 3.87 5.85 -1.35 0.36 115.31 122.92 1rzz h LEU 278 Ca -0.00 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 1rzz h LEU 278 Cb 1.21 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1rzz h LEU 278 CO 0.06 -0.21 -0.50 0.71 -0.34 0.00 0.00 178.44 178.16 1rzz h THR 279 N -0.65 1.33 0.02 1.05 1.35 -1.38 -2.96 112.91 111.67 1rzz h THR 279 Ca -0.05 -1.73 -0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1rzz h THR 279 Cb 0.47 1.75 -0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1rzz h THR 279 CO 0.09 0.53 -0.01 1.23 -0.25 0.00 0.00 175.52 177.10 1rzz h GLY 280 N 1.19 -0.03 0.76 5.82 0.00 -1.13 -0.86 103.07 108.83 1rzz h GLY 280 Ca 0.01 0.01 0.10 0.00 0.00 0.00 0.00 47.33 47.46 1rzz h GLY 280 CO 0.09 -0.01 0.54 -1.33 0.00 0.00 0.00 176.54 175.83 1rzz h GLY 281 N -0.03 1.14 1.02 4.60 0.00 -0.23 -1.34 103.07 108.23 1rzz h GLY 281 Ca -0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 1rzz h GLY 281 CO 0.00 0.18 -0.27 -2.22 0.00 0.00 0.00 176.54 174.23 1rzz h ILE 282 N 0.78 1.29 -0.62 2.60 2.04 -1.29 -1.31 117.51 120.99 1rzz h ILE 282 Ca 0.39 -1.43 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 1rzz h ILE 282 Cb 0.46 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1rzz h ILE 282 CO -0.16 0.47 0.26 1.23 0.00 0.00 0.00 178.15 179.95 1rzz h GLY 283 N 0.57 0.97 1.36 5.37 0.00 -0.12 -2.45 103.07 108.77 1rzz h GLY 283 Ca 0.06 -0.49 -0.27 0.00 0.00 0.00 0.00 47.33 46.63 1rzz h GLY 283 CO 0.07 0.47 -1.14 -2.22 0.00 0.00 0.00 176.54 173.72 1rzz h ILE 284 N 0.90 1.33 -0.47 2.60 1.08 -1.25 -3.13 117.51 118.58 1rzz h ILE 284 Ca 0.21 -2.49 -0.03 0.00 -0.39 0.00 0.00 64.86 62.16 1rzz h ILE 284 Cb 0.16 2.61 -0.02 0.00 -3.07 0.00 0.00 36.82 36.50 1rzz h ILE 284 CO -0.02 0.75 0.18 0.25 -0.69 0.00 0.00 178.15 178.62 1rzz h LEU 285 N 0.26 0.61 -0.53 1.44 5.85 -1.07 -1.91 115.31 119.97 1rzz h LEU 285 Ca -0.15 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1rzz h LEU 285 Cb 1.81 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.68 1rzz h LEU 285 CO 0.21 0.56 0.00 -0.07 -0.34 0.00 0.00 178.44 178.80 1rzz h LEU 286 N 0.67 0.00 -8.87 2.25 3.38 -1.50 -3.40 115.31 107.83 1rzz h LEU 286 Ca 0.16 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.56 1rzz h LEU 286 Cb 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1rzz h LEU 286 CO -0.01 0.00 1.07 -0.44 0.09 0.00 0.00 178.44 179.15 1rzz s SER 287 N -5.86 6.38 0.00 -0.43 0.01 -0.72 -1.66 113.70 111.42 1rzz s SER 287 Ca 0.05 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.37 1rzz s SER 287 Cb 0.07 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1rzz s SER 287 CO 0.61 -1.35 0.00 0.61 0.41 0.00 0.00 173.24 173.52 1rzz n GLY 288 N 4.88 1.58 0.09 3.44 0.00 0.87 -4.82 105.19 111.23 1rzz n GLY 288 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1rzz n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rzz n THR 289 N -2.00 1.03 0.00 2.61 -2.24 -1.18 -4.80 114.28 107.69 1rzz n THR 289 Ca 0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1rzz n THR 289 Cb 0.00 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 1rzz n THR 289 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1rzz n VAL 290 N -2.94 0.00 -4.02 2.28 0.31 -0.77 -5.01 118.33 108.17 1rzz n VAL 290 Ca -0.30 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.74 1rzz n VAL 290 Cb 0.86 -0.78 -0.17 0.00 -0.91 0.00 0.00 33.84 32.85 1rzz n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1rzz s VAL 291 N -1.95 1.33 -0.01 2.52 1.01 -0.66 -5.01 120.40 117.64 1rzz s VAL 291 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1rzz s VAL 291 Cb 0.00 -1.28 -0.25 0.00 0.00 0.00 0.00 36.38 34.85 1rzz s VAL 291 CO 0.00 0.42 0.81 0.44 0.00 0.00 0.00 175.10 176.77 1rzz h ASP 292 N 8.02 0.18 -2.93 3.32 3.32 -1.90 0.25 116.42 126.68 1rzz h ASP 292 Ca -0.34 -0.29 -0.35 0.00 0.02 0.00 0.00 57.03 56.08 1rzz h ASP 292 Cb 1.14 -0.06 -0.37 0.00 0.22 0.00 0.00 39.33 40.26 1rzz h ASP 292 CO 0.48 1.24 -0.67 0.21 -1.72 0.00 0.00 179.24 178.78 1rzz s ASN 293 N -6.61 1.33 0.29 6.45 3.84 -1.26 -4.26 114.94 114.73 1rzz s ASN 293 Ca -0.07 -0.07 0.02 0.00 0.21 0.00 0.00 52.86 52.96 1rzz s ASN 293 Cb 0.08 0.15 0.46 0.00 -0.55 0.00 0.00 41.25 41.39 1rzz s ASN 293 CO 0.83 -0.29 1.78 -0.50 -2.79 0.00 0.00 177.10 176.12 1rzz h TRP 294 N 8.37 0.59 0.27 0.43 4.06 -1.33 -0.74 115.95 127.60 1rzz h TRP 294 Ca -0.15 -0.10 -0.01 0.00 2.06 0.00 0.00 58.89 60.70 1rzz h TRP 294 Cb 1.13 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 1rzz h TRP 294 CO 0.28 0.66 -0.14 -0.92 -3.56 0.00 0.00 178.44 174.76 1rzz h TYR 295 N 0.50 -0.37 -0.24 0.49 3.20 -1.79 0.43 116.97 119.20 1rzz h TYR 295 Ca 0.09 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.00 1rzz h TYR 295 Cb 0.52 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.87 1rzz h TYR 295 CO 0.02 -0.23 -0.06 0.28 -1.64 0.00 0.00 178.16 176.53 1rzz h VAL 296 N -0.38 0.76 -0.94 1.81 2.07 -1.84 -0.85 116.25 116.88 1rzz h VAL 296 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1rzz h VAL 296 Cb 0.30 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1rzz h VAL 296 CO 0.05 0.00 0.60 -0.25 0.02 0.00 0.00 177.57 177.99 1rzz h TRP 297 N -0.00 1.21 -0.04 1.57 7.01 -0.92 -1.44 115.95 123.35 1rzz h TRP 297 Ca 0.11 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 1rzz h TRP 297 Cb 0.17 -0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 1rzz h TRP 297 CO -0.24 0.78 -0.13 0.78 -2.79 0.00 0.00 178.44 176.84 1rzz h GLY 298 N 1.29 0.06 2.00 2.65 0.00 0.91 -2.37 103.07 107.61 1rzz h GLY 298 Ca 0.34 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.58 1rzz h GLY 298 CO -0.07 0.03 -0.28 1.46 0.00 0.00 0.00 176.54 177.68 1rzz h GLN 299 N 0.05 0.00 -0.65 4.80 1.08 -0.06 -2.68 115.11 117.65 1rzz h GLN 299 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1rzz h GLN 299 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1rzz h GLN 299 CO 0.02 0.28 0.00 0.09 -0.95 0.00 0.00 178.83 178.27 1rzz n ASN 300 N -4.12 4.51 0.00 1.46 4.13 -0.90 -5.12 115.26 115.22 1rzz n ASN 300 Ca -0.02 -2.41 0.00 0.00 1.68 0.00 0.00 54.58 53.83 1rzz n ASN 300 Cb 0.33 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 1rzz n ASN 300 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11