#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3it5 n PRO 3 N 0.00 -0.74 0.00 0.54 -0.04 -1.26 -4.95 135.00 128.55 3it5 n PRO 3 Ca 0.00 -0.19 0.04 0.00 -0.04 0.00 0.00 63.50 63.31 3it5 n PRO 3 Cb 0.00 -1.59 0.21 0.00 -0.04 0.00 0.00 33.50 32.08 3it5 n PRO 3 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3it5 n SER 4 N -0.30 0.00 -0.89 3.54 3.41 -1.26 -2.43 113.62 115.70 3it5 n SER 4 Ca 0.02 0.02 0.08 0.00 -0.26 0.00 0.00 58.87 58.73 3it5 n SER 4 Cb 0.60 -0.18 0.21 0.00 -0.26 0.00 0.00 64.21 64.58 3it5 n SER 4 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3it5 n ASN 5 N -1.18 3.27 -0.03 4.04 6.94 -1.26 -4.36 115.26 122.67 3it5 n ASN 5 Ca 0.05 -1.99 -0.22 0.00 -0.02 0.00 0.00 54.58 52.40 3it5 n ASN 5 Cb 0.05 -0.32 -0.13 0.00 -2.36 0.00 0.00 39.78 37.02 3it5 n ASN 5 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3it5 n LEU 6 N 0.92 2.46 -4.47 -4.53 7.94 -1.02 -4.75 117.00 113.55 3it5 n LEU 6 Ca 0.16 0.24 -0.25 0.00 -1.11 0.00 0.00 56.01 55.05 3it5 n LEU 6 Cb 0.49 -1.06 -0.10 0.00 0.53 0.00 0.00 43.42 43.28 3it5 n LEU 6 CO 0.11 0.72 -0.48 -0.04 -1.11 0.00 0.00 177.39 176.59 3it5 s MET 7 N -2.51 1.69 0.31 1.96 -1.94 -1.26 -4.46 119.30 113.10 3it5 s MET 7 Ca -0.25 -1.68 0.05 0.00 -1.71 0.00 0.00 55.69 52.09 3it5 s MET 7 Cb 0.07 -1.82 -0.02 0.00 2.01 0.00 0.00 34.83 35.07 3it5 s MET 7 CO 0.71 0.35 0.17 0.00 -0.01 0.00 0.00 175.02 176.24 3it5 n GLN 8 N -0.43 0.49 -2.51 2.03 10.64 0.84 -0.07 117.38 128.37 3it5 n GLN 8 Ca -0.07 -2.82 -0.38 0.00 -1.83 0.00 0.00 57.00 51.90 3it5 n GLN 8 Cb 0.59 1.90 -0.04 0.00 -0.86 0.00 0.00 30.24 31.83 3it5 n GLN 8 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3it5 s LEU 9 N 0.00 4.31 0.00 2.61 1.43 -1.26 -4.69 118.68 121.08 3it5 s LEU 9 Ca 0.25 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 3it5 s LEU 9 Cb 0.01 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.27 3it5 s LEU 9 CO 0.17 -0.36 0.70 -0.81 0.23 0.00 0.00 176.35 176.29 3it5 n PRO 10 N 0.44 0.88 -4.59 1.29 -0.04 -1.26 -4.73 135.00 126.99 3it5 n PRO 10 Ca 0.03 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.22 3it5 n PRO 10 Cb 0.48 -1.21 -0.10 0.00 -0.04 0.00 0.00 33.50 32.62 3it5 n PRO 10 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3it5 s TRP 11 N -0.33 2.26 0.24 0.54 -2.14 -1.26 -0.70 118.94 117.55 3it5 s TRP 11 Ca 0.00 -0.81 -0.31 0.00 2.66 0.00 0.00 56.10 57.64 3it5 s TRP 11 Cb 0.00 -1.60 -0.13 0.00 -3.10 0.00 0.00 33.47 28.64 3it5 s TRP 11 CO 0.00 0.28 1.53 0.54 -2.66 0.00 0.00 176.95 176.63 3it5 n ARG 12 N -0.93 2.32 -1.69 3.25 1.74 -1.25 -4.75 116.66 115.35 3it5 n ARG 12 Ca -0.06 0.83 -0.44 0.00 -0.77 0.00 0.00 57.85 57.41 3it5 n ARG 12 Cb 0.67 -2.56 -0.03 0.00 -1.02 0.00 0.00 32.46 29.51 3it5 n ARG 12 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3it5 n GLN 13 N 2.53 2.45 -0.12 5.56 7.27 -1.26 -2.07 117.38 131.74 3it5 n GLN 13 Ca 0.12 0.88 0.00 0.00 0.07 0.00 0.00 57.00 58.07 3it5 n GLN 13 Cb 0.33 -2.68 0.00 0.00 2.41 0.00 0.00 30.24 30.30 3it5 n GLN 13 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3it5 n GLY 14 N 3.52 0.66 3.49 1.69 0.00 0.42 -5.03 105.19 109.94 3it5 n GLY 14 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3it5 n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3it5 s TYR 15 N -2.18 2.17 -0.15 1.61 2.02 -0.88 -4.92 117.35 115.02 3it5 s TYR 15 Ca 0.00 -0.63 -0.02 0.00 -0.37 0.00 0.00 57.07 56.05 3it5 s TYR 15 Cb 0.00 -1.27 0.05 0.00 -0.40 0.00 0.00 41.96 40.33 3it5 s TYR 15 CO 0.00 0.40 0.00 -1.12 -1.57 0.00 0.00 175.55 173.26 3it5 s SER 16 N -3.53 2.53 0.25 2.29 0.01 -1.26 -0.93 113.70 113.05 3it5 s SER 16 Ca 0.31 -0.58 0.09 0.00 1.31 0.00 0.00 55.95 57.08 3it5 s SER 16 Cb 0.04 -0.64 -0.04 0.00 0.21 0.00 0.00 66.02 65.59 3it5 s SER 16 CO 0.14 -0.24 0.01 0.26 0.41 0.00 0.00 173.24 173.82 3it5 s TRP 17 N 1.83 2.75 -0.41 2.43 0.52 -1.14 -4.59 118.94 120.33 3it5 s TRP 17 Ca 0.01 -0.20 -0.18 0.00 0.02 0.00 0.00 56.10 55.75 3it5 s TRP 17 Cb -0.15 -1.24 0.02 0.00 -1.15 0.00 0.00 33.47 30.94 3it5 s TRP 17 CO -0.07 0.59 0.49 -0.65 0.02 0.00 0.00 176.95 177.33 3it5 s GLN 18 N -3.55 3.21 0.46 4.98 -0.21 -0.32 -0.51 119.66 123.72 3it5 s GLN 18 Ca 0.31 -0.60 -0.14 0.00 0.02 0.00 0.00 55.36 54.95 3it5 s GLN 18 Cb -0.07 -3.94 -0.07 0.00 1.00 0.00 0.00 33.01 29.93 3it5 s GLN 18 CO 0.20 -0.85 0.88 -1.25 -2.12 0.00 0.00 175.29 172.15 3it5 s PRO 19 N 2.31 3.88 0.08 2.91 0.04 -1.26 -2.15 135.00 140.81 3it5 s PRO 19 Ca 0.15 0.72 0.01 0.00 0.04 0.00 0.00 61.00 61.93 3it5 s PRO 19 Cb -0.16 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 32.13 3it5 s PRO 19 CO 0.15 -0.14 0.11 0.27 0.04 0.00 0.00 177.00 177.42 3it5 n ASN 20 N -1.40 0.48 -4.77 6.66 6.94 -0.94 -1.22 115.26 121.02 3it5 n ASN 20 Ca 0.05 -1.23 -0.35 0.00 -0.02 0.00 0.00 54.58 53.02 3it5 n ASN 20 Cb 0.54 -0.05 -0.00 0.00 -2.36 0.00 0.00 39.78 37.91 3it5 n ASN 20 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3it5 s GLY 21 N -2.29 2.65 0.58 4.83 0.00 -1.26 -4.51 107.32 107.31 3it5 s GLY 21 Ca 0.08 0.83 -0.20 0.00 0.00 0.00 0.00 44.72 45.43 3it5 s GLY 21 CO 0.05 1.20 1.29 0.00 0.00 0.00 0.00 173.10 175.64 3it5 s ALA 22 N -1.75 2.65 0.25 3.20 0.00 -1.26 -4.35 121.76 120.50 3it5 s ALA 22 Ca 0.71 1.18 -0.22 0.00 0.00 0.00 0.00 51.96 53.64 3it5 s ALA 22 Cb -0.24 -3.52 0.03 0.00 0.00 0.00 0.00 23.12 19.39 3it5 s ALA 22 CO 0.28 -1.31 0.76 -3.38 0.00 0.00 0.00 175.76 172.10 3it5 s HIS 23 N -1.42 -0.19 0.88 0.00 -3.43 0.43 -0.67 115.29 110.89 3it5 s HIS 23 Ca 0.75 -0.23 -0.12 0.00 -0.80 0.00 0.00 55.06 54.67 3it5 s HIS 23 Cb -0.36 0.69 0.12 0.00 -1.43 0.00 0.00 32.58 31.60 3it5 s HIS 23 CO 0.41 -1.15 1.10 -1.54 -2.00 0.00 0.00 174.74 171.56 3it5 s SER 24 N -2.92 3.64 0.36 7.38 1.04 -1.26 -0.60 113.70 121.35 3it5 s SER 24 Ca 0.11 1.37 0.09 0.00 0.48 0.00 0.00 55.95 57.99 3it5 s SER 24 Cb -0.05 -2.05 0.82 0.00 0.10 0.00 0.00 66.02 64.84 3it5 s SER 24 CO 0.05 -2.52 1.90 -1.13 0.98 0.00 0.00 173.24 172.53 3it5 h ASN 25 N -1.47 0.63 -0.01 7.02 -1.24 -1.93 -2.46 115.58 116.12 3it5 h ASN 25 Ca -0.49 0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.54 3it5 h ASN 25 Cb 1.29 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.24 3it5 h ASN 25 CO 0.57 0.35 -0.49 0.35 -1.29 0.00 0.00 177.43 176.91 3it5 n THR 26 N -4.52 0.00 -0.69 -3.57 -2.24 -1.26 -4.99 114.28 97.00 3it5 n THR 26 Ca 0.15 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3it5 n THR 26 Cb 0.40 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 3it5 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3it5 n GLY 27 N 1.39 0.81 0.00 3.38 0.00 -0.93 -4.80 105.19 105.05 3it5 n GLY 27 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3it5 n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3it5 n SER 28 N 0.00 0.00 -2.05 1.61 3.41 -1.26 -4.79 113.62 110.54 3it5 n SER 28 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3it5 n SER 28 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3it5 n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3it5 n GLY 29 N 0.00 -0.66 2.99 5.00 0.00 -1.26 -5.01 105.19 106.25 3it5 n GLY 29 Ca 0.00 -1.73 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 3it5 n GLY 29 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3it5 s TYR 30 N -0.63 0.51 0.57 1.61 5.04 -1.26 -4.47 117.35 118.72 3it5 s TYR 30 Ca 0.00 -0.26 -0.07 0.00 -2.44 0.00 0.00 57.07 54.30 3it5 s TYR 30 Cb 0.00 -0.32 -0.01 0.00 0.35 0.00 0.00 41.96 41.98 3it5 s TYR 30 CO 0.00 -0.04 0.89 -1.25 -1.34 0.00 0.00 175.55 173.81 3it5 s PRO 31 N -0.72 3.21 -1.27 4.97 0.04 -1.26 -5.07 135.00 134.90 3it5 s PRO 31 Ca -0.03 0.20 -0.19 0.00 0.04 0.00 0.00 61.00 61.01 3it5 s PRO 31 Cb -0.05 -2.26 0.05 0.00 0.04 0.00 0.00 34.50 32.27 3it5 s PRO 31 CO 0.00 -0.54 1.75 0.71 0.04 0.00 0.00 177.00 178.96 3it5 s TYR 32 N -2.96 2.64 -1.69 0.56 2.02 -1.26 -4.13 117.35 112.54 3it5 s TYR 32 Ca 0.52 -1.27 0.28 0.00 -0.37 0.00 0.00 57.07 56.23 3it5 s TYR 32 Cb -0.11 -4.64 1.01 0.00 -0.40 0.00 0.00 41.96 37.82 3it5 s TYR 32 CO 0.47 -1.73 1.72 -1.13 -1.57 0.00 0.00 175.55 173.31 3it5 n SER 33 N 9.32 0.72 -4.16 2.29 3.41 -0.98 -2.19 113.62 122.02 3it5 n SER 33 Ca 0.47 -0.71 -0.20 0.00 -0.26 0.00 0.00 58.87 58.18 3it5 n SER 33 Cb 0.46 0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 64.30 3it5 n SER 33 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3it5 s SER 34 N -2.49 1.76 0.02 4.04 0.01 0.24 -1.67 113.70 115.60 3it5 s SER 34 Ca 0.27 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.01 3it5 s SER 34 Cb 0.20 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 3it5 s SER 34 CO 0.50 0.01 -0.04 0.72 0.41 0.00 0.00 173.24 174.84 3it5 s PHE 35 N -0.97 0.30 0.35 2.43 -0.12 -0.60 -0.42 117.98 118.95 3it5 s PHE 35 Ca 0.01 -0.44 0.01 0.00 -0.05 0.00 0.00 56.93 56.46 3it5 s PHE 35 Cb -0.09 -0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.07 3it5 s PHE 35 CO 0.02 -0.14 0.56 -0.51 -0.05 0.00 0.00 175.22 175.09 3it5 s ASP 36 N -1.25 6.25 -0.09 1.98 1.01 -1.26 -1.45 116.67 121.86 3it5 s ASP 36 Ca -0.12 0.42 -0.08 0.00 0.71 0.00 0.00 52.55 53.48 3it5 s ASP 36 Cb -0.08 -1.97 0.03 0.00 1.01 0.00 0.00 42.92 41.90 3it5 s ASP 36 CO -0.01 -0.33 0.24 0.00 0.21 0.00 0.00 175.17 175.29 3it5 s ALA 37 N -2.33 -0.59 -0.18 5.23 0.00 0.02 -2.20 121.76 121.71 3it5 s ALA 37 Ca 0.41 0.74 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 3it5 s ALA 37 Cb -0.10 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.64 3it5 s ALA 37 CO 0.36 -0.13 0.47 0.45 0.00 0.00 0.00 175.76 176.91 3it5 s SER 38 N 0.33 -0.52 0.10 0.00 0.15 -0.91 0.02 113.70 112.87 3it5 s SER 38 Ca -0.02 0.96 -0.24 0.00 0.70 0.00 0.00 55.95 57.35 3it5 s SER 38 Cb -0.03 0.93 -0.12 0.00 -1.71 0.00 0.00 66.02 65.09 3it5 s SER 38 CO -0.01 -0.18 1.70 0.22 1.20 0.00 0.00 173.24 176.17 3it5 h TYR 39 N 5.95 -0.26 0.00 3.44 3.20 -1.88 -0.83 116.97 126.59 3it5 h TYR 39 Ca -0.30 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.57 3it5 h TYR 39 Cb 1.18 0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.56 3it5 h TYR 39 CO 0.34 -0.16 0.00 -0.40 -1.64 0.00 0.00 178.16 176.30 3it5 n ASP 40 N -5.22 0.71 -4.06 -2.11 5.75 -1.26 -4.26 116.55 106.10 3it5 n ASP 40 Ca -0.07 -0.88 -0.37 0.00 -0.01 0.00 0.00 54.79 53.46 3it5 n ASP 40 Cb 0.15 0.20 -0.01 0.00 -1.03 0.00 0.00 41.12 40.42 3it5 n ASP 40 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3it5 n TRP 41 N -0.20 -1.48 -2.03 2.11 7.02 -1.26 -4.97 117.44 116.62 3it5 n TRP 41 Ca 0.00 0.38 -0.14 0.00 -1.02 0.00 0.00 57.50 56.72 3it5 n TRP 41 Cb 0.02 -3.05 0.08 0.00 -2.42 0.00 0.00 31.31 25.94 3it5 n TRP 41 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3it5 n PRO 42 N -4.69 -0.17 -2.04 -0.99 -0.04 -1.26 -4.98 135.00 120.83 3it5 n PRO 42 Ca -0.20 -1.31 -0.31 0.00 -0.04 0.00 0.00 63.50 61.64 3it5 n PRO 42 Cb 0.62 -0.52 -0.00 0.00 -0.04 0.00 0.00 33.50 33.56 3it5 n PRO 42 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3it5 s ARG 43 N -4.16 3.68 0.46 0.54 0.52 -1.26 -3.97 118.95 114.77 3it5 s ARG 43 Ca 0.38 0.77 -0.23 0.00 -0.52 0.00 0.00 55.73 56.13 3it5 s ARG 43 Cb -0.02 -2.11 -0.10 0.00 0.52 0.00 0.00 34.95 33.25 3it5 s ARG 43 CO 0.26 -0.48 0.91 0.91 0.02 0.00 0.00 175.30 176.92 3it5 n TRP 44 N -2.44 0.78 -0.35 -0.53 7.02 -1.26 -2.87 117.44 117.79 3it5 n TRP 44 Ca 0.06 0.54 0.00 0.00 -1.02 0.00 0.00 57.50 57.07 3it5 n TRP 44 Cb 0.54 -2.17 0.00 0.00 -2.42 0.00 0.00 31.31 27.26 3it5 n TRP 44 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3it5 n GLY 45 N 1.32 0.71 3.89 6.99 0.00 -0.30 -5.05 105.19 112.74 3it5 n GLY 45 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3it5 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3it5 s SER 46 N -2.78 6.50 0.50 1.61 0.01 -1.14 -5.07 113.70 113.34 3it5 s SER 46 Ca 0.00 0.77 -0.23 0.00 1.31 0.00 0.00 55.95 57.80 3it5 s SER 46 Cb 0.00 -2.17 -0.07 0.00 0.21 0.00 0.00 66.02 64.00 3it5 s SER 46 CO 0.00 -0.14 1.38 0.00 0.41 0.00 0.00 173.24 174.89 3it5 n ALA 47 N -0.61 1.75 -2.63 1.44 0.00 -1.26 -4.70 120.51 114.51 3it5 n ALA 47 Ca -0.01 0.18 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 3it5 n ALA 47 Cb 0.53 -2.37 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 3it5 n ALA 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3it5 s THR 48 N -1.25 1.55 0.27 0.00 -4.23 -1.26 -5.04 115.64 105.68 3it5 s THR 48 Ca 0.67 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 59.34 3it5 s THR 48 Cb -0.43 -2.42 -0.06 0.00 1.34 0.00 0.00 72.50 70.93 3it5 s THR 48 CO 0.53 0.00 0.02 -0.31 -0.54 0.00 0.00 174.62 174.31 3it5 s TYR 49 N -2.79 1.76 -0.24 3.99 2.02 -1.26 -4.95 117.35 115.87 3it5 s TYR 49 Ca 0.20 -0.91 -0.29 0.00 -0.37 0.00 0.00 57.07 55.70 3it5 s TYR 49 Cb 0.03 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.50 3it5 s TYR 49 CO 0.11 0.01 1.55 -1.12 -1.57 0.00 0.00 175.55 174.53 3it5 s SER 50 N -3.39 6.43 0.10 2.29 0.01 -1.26 -3.10 113.70 114.77 3it5 s SER 50 Ca 0.32 1.52 -0.27 0.00 1.31 0.00 0.00 55.95 58.83 3it5 s SER 50 Cb 0.07 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.70 3it5 s SER 50 CO 0.12 -1.23 0.84 -0.69 0.41 0.00 0.00 173.24 172.68 3it5 s VAL 51 N 5.06 4.56 0.21 3.43 1.01 -0.43 -3.94 120.40 130.30 3it5 s VAL 51 Ca 0.68 1.80 0.09 0.00 0.00 0.00 0.00 61.98 64.55 3it5 s VAL 51 Cb -0.23 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 3it5 s VAL 51 CO 0.28 0.38 -0.16 0.68 0.00 0.00 0.00 175.10 176.28 3it5 s VAL 52 N -0.28 1.88 0.19 2.92 -7.23 0.13 -0.98 120.40 117.03 3it5 s VAL 52 Ca 0.41 -2.18 -0.31 0.00 -1.81 0.00 0.00 61.98 58.09 3it5 s VAL 52 Cb -0.22 -2.04 -0.11 0.00 0.56 0.00 0.00 36.38 34.58 3it5 s VAL 52 CO 0.26 -0.50 1.58 0.00 -0.31 0.00 0.00 175.10 176.14 3it5 s ALA 53 N -2.68 3.79 -0.60 1.32 0.00 0.71 -4.47 121.76 119.83 3it5 s ALA 53 Ca 0.22 1.42 0.26 0.00 0.00 0.00 0.00 51.96 53.86 3it5 s ALA 53 Cb -0.03 -3.63 0.84 0.00 0.00 0.00 0.00 23.12 20.30 3it5 s ALA 53 CO 0.08 -0.82 1.75 0.00 0.00 0.00 0.00 175.76 176.78 3it5 h ALA 54 N 6.44 1.00 -2.92 0.00 0.00 -1.84 0.56 119.26 122.49 3it5 h ALA 54 Ca -0.43 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.54 3it5 h ALA 54 Cb 1.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3it5 h ALA 54 CO 0.90 0.00 0.28 -3.38 0.00 0.00 0.00 179.25 177.04 3it5 s HIS 55 N -3.19 -0.11 0.51 0.00 -3.43 -1.26 -0.11 115.29 107.69 3it5 s HIS 55 Ca 0.08 -0.39 -0.19 0.00 -0.80 0.00 0.00 55.06 53.77 3it5 s HIS 55 Cb 0.11 0.73 -0.08 0.00 -1.43 0.00 0.00 32.58 31.91 3it5 s HIS 55 CO 0.55 -1.27 1.02 0.00 -2.00 0.00 0.00 174.74 173.04 3it5 s ALA 56 N -3.44 2.90 0.00 -1.38 0.00 -1.26 -3.46 121.76 115.11 3it5 s ALA 56 Ca 0.12 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.54 3it5 s ALA 56 Cb -0.05 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3it5 s ALA 56 CO 0.07 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3it5 n GLY 57 N -0.69 -0.33 3.46 0.00 0.00 -0.88 -4.13 105.19 102.62 3it5 n GLY 57 Ca 0.08 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 3it5 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3it5 s THR 58 N -3.25 3.10 0.03 2.61 2.01 -0.27 -1.12 115.64 118.75 3it5 s THR 58 Ca 0.00 -0.69 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 3it5 s THR 58 Cb 0.00 -2.24 -0.06 0.00 0.01 0.00 0.00 72.50 70.22 3it5 s THR 58 CO 0.00 0.58 0.67 -0.69 -0.69 0.00 0.00 174.62 174.48 3it5 s VAL 59 N -0.47 4.80 -0.10 3.82 1.01 0.83 -1.23 120.40 129.05 3it5 s VAL 59 Ca 0.06 1.42 0.02 0.00 0.00 0.00 0.00 61.98 63.48 3it5 s VAL 59 Cb -0.12 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.26 3it5 s VAL 59 CO 0.02 0.41 -0.17 -0.60 0.00 0.00 0.00 175.10 174.76 3it5 s ARG 60 N -0.26 2.37 -0.79 2.72 6.06 0.44 -0.92 118.95 128.57 3it5 s ARG 60 Ca 0.34 -0.63 -0.17 0.00 -2.50 0.00 0.00 55.73 52.77 3it5 s ARG 60 Cb -0.19 -1.92 0.16 0.00 0.06 0.00 0.00 34.95 33.05 3it5 s ARG 60 CO 0.20 0.02 0.85 0.08 -2.50 0.00 0.00 175.30 173.95 3it5 s VAL 61 N 0.75 5.13 0.18 7.11 1.01 -1.26 -1.15 120.40 132.17 3it5 s VAL 61 Ca -0.11 -1.80 -0.11 0.00 0.00 0.00 0.00 61.98 59.96 3it5 s VAL 61 Cb -0.16 -4.57 0.08 0.00 0.00 0.00 0.00 36.38 31.74 3it5 s VAL 61 CO 0.02 -1.20 1.71 -0.07 0.00 0.00 0.00 175.10 175.56 3it5 h LEU 62 N 9.17 0.91 -8.00 3.92 3.38 -1.71 -3.47 115.31 119.50 3it5 h LEU 62 Ca 0.01 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3it5 h LEU 62 Cb 1.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3it5 h LEU 62 CO 0.96 0.88 0.26 -0.94 0.09 0.00 0.00 178.44 179.68 3it5 s SER 63 N -6.24 -0.06 0.19 -0.43 1.04 -1.11 -4.96 113.70 102.13 3it5 s SER 63 Ca -0.13 -1.01 0.15 0.00 0.48 0.00 0.00 55.95 55.45 3it5 s SER 63 Cb 0.13 0.82 0.76 0.00 0.10 0.00 0.00 66.02 67.83 3it5 s SER 63 CO 0.82 -1.60 1.47 -2.11 0.98 0.00 0.00 173.24 172.79 3it5 n ARG 64 N -0.51 0.10 -0.04 4.02 1.85 -1.26 -2.08 116.66 118.73 3it5 n ARG 64 Ca -0.07 0.53 0.01 0.00 -1.00 0.00 0.00 57.85 57.32 3it5 n ARG 64 Cb 0.60 -1.77 0.03 0.00 -1.05 0.00 0.00 32.46 30.27 3it5 n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3it5 s GLN 66 N -1.05 0.18 -0.01 0.00 0.74 -0.89 -1.09 119.66 117.55 3it5 s GLN 66 Ca 0.05 0.40 0.02 0.00 0.05 0.00 0.00 55.36 55.89 3it5 s GLN 66 Cb 0.03 -0.07 -0.00 0.00 1.10 0.00 0.00 33.01 34.07 3it5 s GLN 66 CO 0.03 -0.12 -0.07 0.08 -0.55 0.00 0.00 175.29 174.66 3it5 s VAL 67 N 0.87 0.57 -0.09 1.34 1.01 -0.92 -1.75 120.40 121.42 3it5 s VAL 67 Ca -0.06 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3it5 s VAL 67 Cb -0.08 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.82 3it5 s VAL 67 CO -0.05 0.17 -0.20 -0.60 0.00 0.00 0.00 175.10 174.42 3it5 s ARG 68 N -0.11 2.60 -0.20 2.72 6.06 -0.30 -0.68 118.95 129.04 3it5 s ARG 68 Ca 0.02 -0.72 -0.02 0.00 -2.50 0.00 0.00 55.73 52.51 3it5 s ARG 68 Cb -0.03 -2.02 -0.00 0.00 0.06 0.00 0.00 34.95 32.95 3it5 s ARG 68 CO -0.00 0.10 -0.09 0.08 -2.50 0.00 0.00 175.30 172.89 3it5 s VAL 69 N 0.53 3.05 -0.18 7.11 1.01 -0.36 -0.42 120.40 131.13 3it5 s VAL 69 Ca -0.16 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3it5 s VAL 69 Cb -0.17 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.87 3it5 s VAL 69 CO 0.06 0.46 -0.17 -0.89 0.00 0.00 0.00 175.10 174.56 3it5 s THR 70 N 1.24 2.33 0.29 3.92 2.01 -0.36 -1.07 115.64 124.01 3it5 s THR 70 Ca 0.03 -0.85 -0.24 0.00 0.31 0.00 0.00 61.69 60.94 3it5 s THR 70 Cb -0.14 -1.99 -0.09 0.00 0.01 0.00 0.00 72.50 70.28 3it5 s THR 70 CO -0.04 0.52 0.87 -2.28 -0.69 0.00 0.00 174.62 173.00 3it5 s HIS 71 N 1.23 3.66 0.65 4.92 2.46 0.76 -1.11 115.29 127.87 3it5 s HIS 71 Ca 0.03 1.64 0.34 0.00 0.47 0.00 0.00 55.06 57.55 3it5 s HIS 71 Cb -0.14 -2.82 1.89 0.00 -0.13 0.00 0.00 32.58 31.39 3it5 s HIS 71 CO -0.09 0.24 2.10 -1.35 -2.47 0.00 0.00 174.74 173.17 3it5 h PRO 72 N 3.21 0.00 -0.01 2.88 0.11 -1.87 -0.23 132.00 136.08 3it5 h PRO 72 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3it5 h PRO 72 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3it5 h PRO 72 CO 0.65 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.87 3it5 n SER 73 N -3.17 0.47 0.00 -2.05 7.64 -1.26 -4.91 113.62 110.35 3it5 n SER 73 Ca -0.01 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.64 3it5 n SER 73 Cb 0.28 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 3it5 n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3it5 n GLY 74 N 1.02 2.46 3.76 0.23 0.00 -0.10 -4.92 105.19 107.65 3it5 n GLY 74 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3it5 n GLY 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3it5 s TRP 75 N -2.41 2.55 0.17 1.61 0.52 -1.25 -1.69 118.94 118.45 3it5 s TRP 75 Ca 0.00 1.36 -0.18 0.00 0.02 0.00 0.00 56.10 57.30 3it5 s TRP 75 Cb 0.00 -3.76 0.04 0.00 -1.15 0.00 0.00 33.47 28.60 3it5 s TRP 75 CO 0.00 -2.54 0.51 0.00 0.02 0.00 0.00 176.95 174.94 3it5 s ALA 76 N -1.28 -1.05 0.01 0.98 0.00 -0.53 -0.17 121.76 119.73 3it5 s ALA 76 Ca 0.63 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.54 3it5 s ALA 76 Cb -0.40 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 3it5 s ALA 76 CO 0.49 -0.76 -0.05 0.95 0.00 0.00 0.00 175.76 176.39 3it5 s THR 77 N -3.84 0.32 0.09 0.00 -4.23 -0.23 -0.66 115.64 107.09 3it5 s THR 77 Ca 0.06 -0.55 0.07 0.00 -1.18 0.00 0.00 61.69 60.10 3it5 s THR 77 Cb -0.00 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.45 3it5 s THR 77 CO -0.07 -0.16 -0.14 0.21 -0.54 0.00 0.00 174.62 173.93 3it5 s ASN 78 N -0.76 4.13 -0.30 3.99 2.47 -0.53 -1.23 114.94 122.72 3it5 s ASN 78 Ca -0.05 -0.43 -0.02 0.00 0.42 0.00 0.00 52.86 52.78 3it5 s ASN 78 Cb -0.05 -0.71 0.10 0.00 -1.45 0.00 0.00 41.25 39.13 3it5 s ASN 78 CO -0.00 0.20 0.11 -0.31 -3.72 0.00 0.00 177.10 173.38 3it5 s TYR 79 N -1.12 1.20 0.26 0.43 1.51 0.14 -2.16 117.35 117.62 3it5 s TYR 79 Ca 0.19 -1.40 0.08 0.00 -1.01 0.00 0.00 57.07 54.93 3it5 s TYR 79 Cb -0.11 -1.40 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 3it5 s TYR 79 CO 0.10 -0.85 0.10 -0.47 -1.11 0.00 0.00 175.55 173.33 3it5 s TYR 80 N 1.79 2.89 -0.97 2.71 5.04 -0.54 -2.17 117.35 126.10 3it5 s TYR 80 Ca 0.09 -0.18 -0.06 0.00 -2.44 0.00 0.00 57.07 54.48 3it5 s TYR 80 Cb -0.17 -1.32 0.01 0.00 0.35 0.00 0.00 41.96 40.83 3it5 s TYR 80 CO -0.28 0.55 0.81 0.72 -1.34 0.00 0.00 175.55 176.01 3it5 n HIS 81 N -1.05 -1.99 -2.19 4.97 8.25 -1.02 -1.55 115.22 120.65 3it5 n HIS 81 Ca -0.07 0.69 -0.27 0.00 -0.26 0.00 0.00 57.72 57.81 3it5 n HIS 81 Cb 0.59 -3.82 0.05 0.00 1.12 0.00 0.00 29.99 27.93 3it5 n HIS 81 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3it5 s MET 82 N -5.88 2.56 0.05 -0.41 -1.94 -0.25 -0.53 119.30 112.90 3it5 s MET 82 Ca 0.40 -0.00 -0.27 0.00 -1.71 0.00 0.00 55.69 54.11 3it5 s MET 82 Cb -0.18 -2.16 0.08 0.00 2.01 0.00 0.00 34.83 34.58 3it5 s MET 82 CO 0.49 -1.03 0.68 0.34 -0.01 0.00 0.00 175.02 175.49 3it5 s ASP 83 N -4.42 -0.57 -1.21 3.03 2.15 0.17 -4.22 116.67 111.61 3it5 s ASP 83 Ca 0.58 0.28 -0.26 0.00 0.43 0.00 0.00 52.55 53.57 3it5 s ASP 83 Cb -0.11 0.54 0.02 0.00 -0.30 0.00 0.00 42.92 43.07 3it5 s ASP 83 CO 0.46 -0.77 0.69 0.00 -0.17 0.00 0.00 175.17 175.38 3it5 n GLN 84 N 0.16 -0.82 -2.05 4.34 6.02 -1.26 -1.69 117.38 122.07 3it5 n GLN 84 Ca -0.17 0.24 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 3it5 n GLN 84 Cb 0.61 -3.31 -0.03 0.00 1.02 0.00 0.00 30.24 28.53 3it5 n GLN 84 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3it5 s ILE 85 N -3.56 3.38 -0.17 5.09 1.01 -1.26 -4.20 121.20 121.49 3it5 s ILE 85 Ca 0.44 0.75 0.17 0.00 0.00 0.00 0.00 60.65 62.02 3it5 s ILE 85 Cb -0.21 -3.48 0.45 0.00 0.01 0.00 0.00 42.46 39.23 3it5 s ILE 85 CO 0.93 -0.01 1.33 0.00 0.00 0.00 0.00 174.94 177.19 3it5 n GLN 86 N 5.79 2.35 -4.51 2.79 10.64 0.75 -4.98 117.38 130.20 3it5 n GLN 86 Ca 0.15 -2.78 -0.27 0.00 -1.83 0.00 0.00 57.00 52.28 3it5 n GLN 86 Cb 0.42 -1.73 -0.10 0.00 -0.86 0.00 0.00 30.24 27.96 3it5 n GLN 86 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 3it5 s VAL 87 N -2.87 2.18 0.27 -0.39 -7.23 -1.24 -4.96 120.40 106.17 3it5 s VAL 87 Ca 0.39 -2.03 0.11 0.00 -1.81 0.00 0.00 61.98 58.64 3it5 s VAL 87 Cb 0.32 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 3it5 s VAL 87 CO 0.07 -0.09 -0.15 -0.44 -0.31 0.00 0.00 175.10 174.17 3it5 s SER 88 N -3.70 3.82 0.33 4.85 0.01 -1.26 -4.98 113.70 112.77 3it5 s SER 88 Ca 0.35 -0.92 -0.28 0.00 1.31 0.00 0.00 55.95 56.40 3it5 s SER 88 Cb 0.06 -0.43 -0.12 0.00 0.21 0.00 0.00 66.02 65.73 3it5 s SER 88 CO 0.18 0.04 1.30 0.59 0.41 0.00 0.00 173.24 175.76 3it5 n ASN 89 N -0.62 2.75 0.00 2.44 3.02 -1.26 -2.55 115.26 119.03 3it5 n ASN 89 Ca -0.06 1.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.69 3it5 n ASN 89 Cb 0.59 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 3it5 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3it5 n GLY 90 N 0.91 0.62 3.75 7.41 0.00 -0.10 -4.98 105.19 112.80 3it5 n GLY 90 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3it5 n GLY 90 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3it5 s GLN 91 N -0.38 4.65 -0.12 1.61 0.74 -1.06 -4.74 119.66 120.36 3it5 s GLN 91 Ca 0.00 1.70 -0.19 0.00 0.05 0.00 0.00 55.36 56.93 3it5 s GLN 91 Cb 0.00 -3.25 -0.04 0.00 1.10 0.00 0.00 33.01 30.82 3it5 s GLN 91 CO 0.00 0.18 0.50 -0.65 -0.55 0.00 0.00 175.29 174.77 3it5 s GLN 92 N -0.79 4.33 0.33 1.67 -1.52 -1.26 -0.12 119.66 122.29 3it5 s GLN 92 Ca 0.47 0.48 0.03 0.00 -1.95 0.00 0.00 55.36 54.38 3it5 s GLN 92 Cb -0.29 -3.45 -0.05 0.00 -0.22 0.00 0.00 33.01 28.99 3it5 s GLN 92 CO 0.36 0.11 0.09 0.14 -0.25 0.00 0.00 175.29 175.75 3it5 s VAL 93 N 0.76 0.83 0.44 1.09 -7.23 -0.28 -5.00 120.40 111.01 3it5 s VAL 93 Ca 0.27 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.48 3it5 s VAL 93 Cb -0.15 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.11 3it5 s VAL 93 CO 0.11 0.00 0.02 -0.44 -0.31 0.00 0.00 175.10 174.48 3it5 s SER 94 N -3.46 3.77 0.28 4.85 0.01 -1.26 -2.08 113.70 115.80 3it5 s SER 94 Ca 0.34 -1.51 -0.30 0.00 1.31 0.00 0.00 55.95 55.79 3it5 s SER 94 Cb 0.07 0.06 -0.13 0.00 0.21 0.00 0.00 66.02 66.23 3it5 s SER 94 CO 0.15 -0.66 1.32 0.00 0.41 0.00 0.00 173.24 174.46 3it5 n ALA 95 N -1.06 0.98 -0.94 1.44 0.00 -1.23 -2.13 120.51 117.57 3it5 n ALA 95 Ca -0.10 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3it5 n ALA 95 Cb 0.67 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3it5 n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3it5 n ASP 96 N 1.60 -0.64 -4.66 0.00 2.03 0.19 -4.95 116.55 110.12 3it5 n ASP 96 Ca 0.09 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.98 3it5 n ASP 96 Cb 0.33 -0.11 -0.02 0.00 -0.72 0.00 0.00 41.12 40.60 3it5 n ASP 96 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3it5 s THR 97 N -3.46 3.87 0.14 5.18 2.01 -0.91 -4.71 115.64 117.76 3it5 s THR 97 Ca 0.00 1.04 -0.31 0.00 0.31 0.00 0.00 61.69 62.73 3it5 s THR 97 Cb 0.00 -3.70 -0.10 0.00 0.01 0.00 0.00 72.50 68.71 3it5 s THR 97 CO 0.00 -0.12 1.67 -0.75 -0.69 0.00 0.00 174.62 174.73 3it5 s LYS 98 N 3.89 4.18 -0.15 4.92 2.20 -1.26 -0.21 119.74 133.31 3it5 s LYS 98 Ca 0.66 2.44 0.13 0.00 -0.36 0.00 0.00 55.97 58.84 3it5 s LYS 98 Cb -0.28 -3.33 -0.24 0.00 -1.51 0.00 0.00 37.83 32.48 3it5 s LYS 98 CO 0.24 -0.71 0.24 1.28 -0.36 0.00 0.00 175.35 176.04 3it5 n LEU 99 N 4.68 0.76 0.00 5.43 4.77 -0.15 -4.71 117.00 127.77 3it5 n LEU 99 Ca 0.15 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3it5 n LEU 99 Cb 0.38 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3it5 n LEU 99 CO 0.63 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 3it5 n GLY 100 N 1.76 -0.62 3.33 -0.72 0.00 -1.19 -0.18 105.19 107.58 3it5 n GLY 100 Ca -0.29 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 3it5 n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3it5 s VAL 101 N -4.00 1.52 0.45 1.61 -7.23 -0.68 -1.32 120.40 110.75 3it5 s VAL 101 Ca 0.00 -2.15 -0.20 0.00 -1.81 0.00 0.00 61.98 57.82 3it5 s VAL 101 Cb 0.00 -2.09 -0.10 0.00 0.56 0.00 0.00 36.38 34.75 3it5 s VAL 101 CO 0.00 -0.56 0.97 -0.72 -0.31 0.00 0.00 175.10 174.49 3it5 s TYR 102 N -3.11 3.25 0.32 2.82 -0.85 -1.18 -0.66 117.35 117.94 3it5 s TYR 102 Ca 0.23 1.59 -0.29 0.00 -0.52 0.00 0.00 57.07 58.08 3it5 s TYR 102 Cb 0.01 -2.90 -0.10 0.00 0.38 0.00 0.00 41.96 39.36 3it5 s TYR 102 CO 0.06 -0.31 1.20 0.00 -1.52 0.00 0.00 175.55 174.98 3it5 s ALA 103 N -2.18 3.41 -0.95 9.51 0.00 0.31 -4.60 121.76 127.26 3it5 s ALA 103 Ca 0.63 1.07 0.19 0.00 0.00 0.00 0.00 51.96 53.85 3it5 s ALA 103 Cb -0.11 -3.40 -0.19 0.00 0.00 0.00 0.00 23.12 19.42 3it5 s ALA 103 CO 0.17 -0.42 0.82 0.41 0.00 0.00 0.00 175.76 176.73 3it5 n GLY 104 N 0.94 -0.73 3.31 0.00 0.00 -1.26 -4.35 105.19 103.09 3it5 n GLY 104 Ca 0.00 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 3it5 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3it5 s ASN 105 N -2.75 2.72 0.24 1.61 4.22 -1.26 -1.15 114.94 118.57 3it5 s ASN 105 Ca 0.08 -0.70 0.07 0.00 -2.14 0.00 0.00 52.86 50.17 3it5 s ASN 105 Cb 0.14 -0.16 0.26 0.00 1.28 0.00 0.00 41.25 42.78 3it5 s ASN 105 CO 0.76 0.09 1.56 -0.29 -2.04 0.00 0.00 177.10 177.18 3it5 h ILE 106 N 4.04 1.43 -0.17 0.54 2.10 -1.99 -2.08 117.51 121.38 3it5 h ILE 106 Ca -0.47 -2.14 -0.01 0.00 1.08 0.00 0.00 64.86 63.32 3it5 h ILE 106 Cb 1.18 2.13 -0.01 0.00 -1.09 0.00 0.00 36.82 39.03 3it5 h ILE 106 CO 0.39 0.62 0.06 0.78 -1.08 0.00 0.00 178.15 178.93 3it5 h ASN 107 N 0.09 0.24 -0.26 2.19 -0.26 -1.97 -1.35 115.58 114.25 3it5 h ASN 107 Ca -0.01 -0.17 -0.16 0.00 -0.56 0.00 0.00 56.30 55.40 3it5 h ASN 107 Cb 1.16 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 38.35 3it5 h ASN 107 CO 0.09 0.35 -0.42 0.74 -1.06 0.00 0.00 177.43 177.13 3it5 h THR 108 N 0.12 1.28 -0.71 2.81 2.02 -1.93 0.11 112.91 116.60 3it5 h THR 108 Ca 0.06 -1.60 0.14 0.00 0.77 0.00 0.00 66.41 65.78 3it5 h THR 108 Cb 0.19 1.48 -0.10 0.00 -1.74 0.00 0.00 68.15 67.97 3it5 h THR 108 CO -0.00 0.52 0.21 0.00 0.37 0.00 0.00 175.52 176.62 3it5 h ALA 109 N 0.87 0.94 -0.33 6.16 0.00 -1.21 -2.67 119.26 123.01 3it5 h ALA 109 Ca 0.05 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3it5 h ALA 109 Cb 0.99 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 3it5 h ALA 109 CO 0.09 -0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.34 3it5 n LEU 110 N -5.09 4.12 0.13 0.00 4.77 -0.52 -3.92 117.00 116.48 3it5 n LEU 110 Ca 0.13 -3.36 0.06 0.00 -0.03 0.00 0.00 56.01 52.81 3it5 n LEU 110 Cb 0.41 -0.60 0.34 0.00 -2.33 0.00 0.00 43.42 41.24 3it5 n LEU 110 CO 0.16 0.93 0.74 0.00 -1.33 0.00 0.00 177.39 177.89 3it5 n GLU 112 N -1.95 1.83 -1.40 0.00 1.02 -1.26 -5.04 120.64 113.85 3it5 n GLU 112 Ca -0.01 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3it5 n GLU 112 Cb 0.21 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 3it5 n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3it5 n GLY 113 N 2.48 -0.35 0.90 0.62 0.00 0.48 -5.18 105.19 104.15 3it5 n GLY 113 Ca -0.05 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3it5 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3it5 n GLY 114 N -1.59 -1.85 3.16 -0.02 0.00 -1.26 -4.69 105.19 98.92 3it5 n GLY 114 Ca 0.00 -1.93 -0.18 0.00 0.00 0.00 0.00 46.02 43.91 3it5 n GLY 114 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3it5 s SER 115 N -4.00 1.60 -0.12 1.61 0.15 -1.26 -5.01 113.70 106.67 3it5 s SER 115 Ca 0.00 -0.59 -0.10 0.00 0.70 0.00 0.00 55.95 55.96 3it5 s SER 115 Cb 0.00 -0.05 0.03 0.00 -1.71 0.00 0.00 66.02 64.29 3it5 s SER 115 CO 0.00 -0.07 0.31 -0.55 1.20 0.00 0.00 173.24 174.13 3it5 s SER 116 N -1.63 -0.33 0.23 5.45 0.15 -1.26 -5.04 113.70 111.27 3it5 s SER 116 Ca -0.02 0.62 0.20 0.00 0.70 0.00 0.00 55.95 57.45 3it5 s SER 116 Cb -0.10 0.62 0.05 0.00 -1.71 0.00 0.00 66.02 64.88 3it5 s SER 116 CO 0.02 -0.12 1.18 0.71 1.20 0.00 0.00 173.24 176.24 3it5 h THR 117 N 4.81 0.30 0.00 6.45 1.35 -2.01 -3.49 112.91 120.31 3it5 h THR 117 Ca -0.28 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 3it5 h THR 117 Cb 1.19 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 3it5 h THR 117 CO 0.32 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 3it5 n GLY 118 N 1.23 -0.56 3.67 5.82 0.00 -1.26 -4.90 105.19 109.19 3it5 n GLY 118 Ca -0.01 -1.20 -0.51 0.00 0.00 0.00 0.00 46.02 44.30 3it5 n GLY 118 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3it5 n PRO 119 N -0.72 1.74 -3.51 1.61 -0.02 -1.25 -4.98 135.00 127.87 3it5 n PRO 119 Ca 0.00 0.63 -0.11 0.00 -2.02 0.00 0.00 63.50 62.01 3it5 n PRO 119 Cb 0.00 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.06 3it5 n PRO 119 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3it5 s HIS 120 N 2.59 -0.42 0.16 6.00 -3.43 -1.26 -4.54 115.29 114.39 3it5 s HIS 120 Ca 0.89 0.43 -0.26 0.00 -0.80 0.00 0.00 55.06 55.33 3it5 s HIS 120 Cb -0.83 0.51 -0.08 0.00 -1.43 0.00 0.00 32.58 30.75 3it5 s HIS 120 CO 0.51 -0.56 0.81 -1.17 -2.00 0.00 0.00 174.74 172.33 3it5 s LEU 121 N -2.07 4.58 -0.43 5.38 2.96 0.10 -4.51 118.68 124.69 3it5 s LEU 121 Ca 0.01 1.67 -0.11 0.00 -0.22 0.00 0.00 54.13 55.49 3it5 s LEU 121 Cb -0.01 -3.34 0.08 0.00 0.50 0.00 0.00 46.19 43.42 3it5 s LEU 121 CO -0.05 0.17 0.29 -2.28 -1.32 0.00 0.00 176.35 173.17 3it5 s HIS 122 N -0.99 3.32 0.00 5.38 5.65 -0.59 -0.80 115.29 127.26 3it5 s HIS 122 Ca 0.37 -1.39 -0.01 0.00 0.25 0.00 0.00 55.06 54.28 3it5 s HIS 122 Cb -0.23 -3.02 -0.04 0.00 -1.18 0.00 0.00 32.58 28.11 3it5 s HIS 122 CO 0.27 -0.84 0.14 0.12 -0.65 0.00 0.00 174.74 173.78 3it5 s PHE 123 N 1.48 3.43 0.00 3.88 5.36 -0.53 -1.47 117.98 130.13 3it5 s PHE 123 Ca 0.03 0.28 -0.15 0.00 -0.96 0.00 0.00 56.93 56.13 3it5 s PHE 123 Cb -0.23 -1.78 0.02 0.00 -0.34 0.00 0.00 43.02 40.69 3it5 s PHE 123 CO 0.03 0.60 0.32 -1.12 -1.46 0.00 0.00 175.22 173.59 3it5 s SER 124 N -1.95 -0.19 -0.02 6.13 0.01 -0.92 -1.56 113.70 115.20 3it5 s SER 124 Ca 0.27 0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.54 3it5 s SER 124 Cb -0.12 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.40 3it5 s SER 124 CO 0.18 -0.50 0.07 -0.22 0.41 0.00 0.00 173.24 173.17 3it5 s LEU 125 N -1.55 3.85 0.05 2.44 2.96 -0.67 -1.45 118.68 124.30 3it5 s LEU 125 Ca -0.11 0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 3it5 s LEU 125 Cb -0.04 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 3it5 s LEU 125 CO 0.02 0.29 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.56 3it5 s LEU 126 N -1.59 2.44 -0.07 -0.68 1.02 0.16 -2.68 118.68 117.28 3it5 s LEU 126 Ca 0.21 -0.94 -0.03 0.00 0.02 0.00 0.00 54.13 53.39 3it5 s LEU 126 Cb -0.12 0.21 0.04 0.00 0.02 0.00 0.00 46.19 46.35 3it5 s LEU 126 CO 0.12 -0.57 0.14 -0.47 0.02 0.00 0.00 176.35 175.58 3it5 s TYR 127 N -3.68 -0.13 -1.42 0.29 5.04 0.05 -1.45 117.35 116.05 3it5 s TYR 127 Ca 0.05 0.51 -0.02 0.00 -2.44 0.00 0.00 57.07 55.17 3it5 s TYR 127 Cb 0.06 -0.26 0.01 0.00 0.35 0.00 0.00 41.96 42.12 3it5 s TYR 127 CO -0.09 -0.23 0.15 0.09 -1.34 0.00 0.00 175.55 174.13 3it5 n ASN 128 N 5.04 -4.98 0.00 4.32 3.02 -0.68 -2.03 115.26 119.95 3it5 n ASN 128 Ca -0.10 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 3it5 n ASN 128 Cb 0.50 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.53 3it5 n ASN 128 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3it5 n GLY 129 N -1.04 0.75 3.55 7.41 0.00 -1.26 -5.05 105.19 109.55 3it5 n GLY 129 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3it5 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it5 s ALA 130 N -2.33 2.96 0.39 4.61 0.00 -0.86 -5.08 121.76 121.45 3it5 s ALA 130 Ca 0.00 -0.87 -0.27 0.00 0.00 0.00 0.00 51.96 50.82 3it5 s ALA 130 Cb 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 23.12 21.71 3it5 s ALA 130 CO 0.00 0.46 1.46 -0.06 0.00 0.00 0.00 175.76 177.62 3it5 s PHE 131 N -0.43 2.58 0.04 0.00 0.40 -1.26 -0.77 117.98 118.53 3it5 s PHE 131 Ca 0.06 1.20 0.00 0.00 -0.60 0.00 0.00 56.93 57.60 3it5 s PHE 131 Cb -0.12 -3.98 -0.03 0.00 0.51 0.00 0.00 43.02 39.40 3it5 s PHE 131 CO 0.02 -2.92 -0.04 0.14 0.70 0.00 0.00 175.22 173.11 3it5 s VAL 132 N -1.14 0.27 0.33 -0.44 -7.23 -1.09 -4.85 120.40 106.25 3it5 s VAL 132 Ca 0.55 -1.26 -0.28 0.00 -1.81 0.00 0.00 61.98 59.18 3it5 s VAL 132 Cb -0.45 -0.77 -0.13 0.00 0.56 0.00 0.00 36.38 35.59 3it5 s VAL 132 CO 0.61 -0.63 1.21 -0.24 -0.31 0.00 0.00 175.10 175.74 3it5 n SER 133 N 1.06 2.36 0.10 4.85 2.88 -1.26 -4.02 113.62 119.59 3it5 n SER 133 Ca -0.20 1.20 0.12 0.00 -1.33 0.00 0.00 58.87 58.66 3it5 n SER 133 Cb 0.57 -1.43 0.45 0.00 -0.75 0.00 0.00 64.21 63.05 3it5 n SER 133 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3it5 n LEU 134 N 0.86 0.66 -4.67 2.46 4.77 -0.93 -4.91 117.00 115.24 3it5 n LEU 134 Ca 0.06 0.60 -0.55 0.00 -0.03 0.00 0.00 56.01 56.08 3it5 n LEU 134 Cb 0.35 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 3it5 n LEU 134 CO 0.62 -0.31 1.18 1.67 -1.33 0.00 0.00 177.39 179.22 3it5 n GLN 135 N -2.16 1.18 -0.99 3.23 -0.06 -1.26 -1.80 117.38 115.51 3it5 n GLN 135 Ca 0.04 0.43 0.00 0.00 -2.00 0.00 0.00 57.00 55.47 3it5 n GLN 135 Cb 0.34 -2.10 0.00 0.00 -4.06 0.00 0.00 30.24 24.42 3it5 n GLN 135 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3it5 n GLY 136 N 3.62 0.38 3.85 1.69 0.00 -0.70 -5.02 105.19 109.01 3it5 n GLY 136 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3it5 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it5 s ALA 137 N -1.79 3.45 -0.12 4.61 0.00 -0.74 -4.82 121.76 122.34 3it5 s ALA 137 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.85 3it5 s ALA 137 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 3it5 s ALA 137 CO 0.00 0.41 -0.00 -1.12 0.00 0.00 0.00 175.76 175.05 3it5 s SER 138 N -2.19 5.15 -0.42 0.00 0.01 -1.26 -1.90 113.70 113.08 3it5 s SER 138 Ca 0.49 0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.83 3it5 s SER 138 Cb -0.12 -1.63 0.12 0.00 0.21 0.00 0.00 66.02 64.60 3it5 s SER 138 CO 0.19 0.28 0.17 -0.36 0.41 0.00 0.00 173.24 173.94 3it5 s PHE 139 N -0.31 2.90 0.00 2.43 0.40 -0.53 -4.34 117.98 118.53 3it5 s PHE 139 Ca 0.06 -2.78 0.00 0.00 -0.60 0.00 0.00 56.93 53.62 3it5 s PHE 139 Cb -0.12 -2.51 0.00 0.00 0.51 0.00 0.00 43.02 40.90 3it5 s PHE 139 CO 0.02 -0.83 0.00 0.41 0.70 0.00 0.00 175.22 175.52 3it5 n GLY 140 N 3.77 1.83 0.17 4.36 0.00 0.90 -3.11 105.19 113.11 3it5 n GLY 140 Ca 0.05 -0.58 0.14 0.00 0.00 0.00 0.00 46.02 45.62 3it5 n GLY 140 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3it5 h PRO 141 N 0.00 0.00 -6.45 1.61 0.13 -1.90 -3.41 132.00 121.98 3it5 h PRO 141 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 3it5 h PRO 141 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 3it5 h PRO 141 CO 0.00 0.00 1.11 0.71 -0.23 0.00 0.00 178.00 179.59 3it5 s TYR 142 N -3.35 2.29 -0.00 1.56 2.02 -1.18 -0.98 117.35 117.70 3it5 s TYR 142 Ca 0.05 0.61 -0.21 0.00 -0.37 0.00 0.00 57.07 57.15 3it5 s TYR 142 Cb 0.09 -4.32 -0.05 0.00 -0.40 0.00 0.00 41.96 37.28 3it5 s TYR 142 CO 0.50 -2.06 0.63 0.50 -1.57 0.00 0.00 175.55 173.54 3it5 s ARG 143 N 5.27 4.36 -0.20 -0.62 3.52 0.26 -1.46 118.95 130.08 3it5 s ARG 143 Ca 0.60 0.79 -0.11 0.00 -0.13 0.00 0.00 55.73 56.88 3it5 s ARG 143 Cb -0.13 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.85 3it5 s ARG 143 CO 0.30 0.33 0.18 -1.50 -0.81 0.00 0.00 175.30 173.80 3it5 s ILE 144 N -0.08 5.37 -0.21 4.11 2.07 -0.80 0.10 121.20 131.76 3it5 s ILE 144 Ca 0.33 0.29 -0.05 0.00 -1.41 0.00 0.00 60.65 59.81 3it5 s ILE 144 Cb -0.18 -3.52 -0.02 0.00 0.13 0.00 0.00 42.46 38.86 3it5 s ILE 144 CO 0.18 0.40 0.00 0.21 -1.91 0.00 0.00 174.94 173.83 3it5 s ASN 145 N 0.53 4.76 0.15 4.50 2.47 -0.43 -1.72 114.94 125.20 3it5 s ASN 145 Ca 0.10 -0.25 -0.23 0.00 0.42 0.00 0.00 52.86 52.91 3it5 s ASN 145 Cb -0.12 -1.82 -0.08 0.00 -1.45 0.00 0.00 41.25 37.78 3it5 s ASN 145 CO 0.01 0.03 0.71 -0.69 -3.72 0.00 0.00 177.10 173.43 3it5 s VAL 146 N 1.22 4.51 0.00 -5.21 1.01 -1.26 -2.45 120.40 118.21 3it5 s VAL 146 Ca 0.03 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.51 3it5 s VAL 146 Cb -0.15 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3it5 s VAL 146 CO 0.01 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3it5 n GLY 147 N 1.48 -1.65 1.24 4.51 0.00 -1.26 -4.71 105.19 104.81 3it5 n GLY 147 Ca -0.06 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.48 3it5 n GLY 147 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3it5 n THR 148 N -1.67 2.22 -3.52 2.61 -2.24 -1.26 -4.95 114.28 105.46 3it5 n THR 148 Ca 0.00 -1.57 -0.08 0.00 -2.27 0.00 0.00 64.05 60.14 3it5 n THR 148 Cb 0.00 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.08 3it5 n THR 148 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3it5 s SER 149 N -1.38 -0.34 -0.12 3.42 1.04 -1.26 -5.04 113.70 110.02 3it5 s SER 149 Ca 0.45 -0.01 -0.35 0.00 0.48 0.00 0.00 55.95 56.52 3it5 s SER 149 Cb 0.34 0.36 -0.12 0.00 0.10 0.00 0.00 66.02 66.70 3it5 s SER 149 CO 0.14 -0.59 1.87 0.59 0.98 0.00 0.00 173.24 176.23 3it5 n ASN 150 N -0.23 3.33 -0.35 7.02 3.02 -1.26 -0.98 115.26 125.81 3it5 n ASN 150 Ca -0.08 0.98 -0.05 0.00 -0.03 0.00 0.00 54.58 55.40 3it5 n ASN 150 Cb 0.61 -1.35 -0.02 0.00 -0.61 0.00 0.00 39.78 38.42 3it5 n ASN 150 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3it5 n TYR 151 N 6.58 0.00 -1.69 3.10 4.02 0.15 -4.98 117.16 124.33 3it5 n TYR 151 Ca 0.23 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.69 3it5 n TYR 151 Cb 0.28 -1.35 -0.03 0.00 -0.02 0.00 0.00 39.34 38.21 3it5 n TYR 151 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3it5 n ASP 152 N 0.01 3.79 0.00 7.72 2.03 -0.15 -4.32 116.55 125.63 3it5 n ASP 152 Ca -0.05 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.29 3it5 n ASP 152 Cb 0.26 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.15 3it5 n ASP 152 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3it5 n ASN 153 N 4.89 1.05 -4.69 1.67 0.23 -1.26 -3.99 115.26 113.17 3it5 n ASN 153 Ca 0.18 -1.50 -0.42 0.00 -0.53 0.00 0.00 54.58 52.31 3it5 n ASN 153 Cb 0.34 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.01 3it5 n ASN 153 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3it5 s ASP 154 N -0.50 6.50 0.00 0.53 -1.08 -1.26 -4.57 116.67 116.29 3it5 s ASP 154 Ca 0.00 2.64 0.23 0.00 -0.52 0.00 0.00 52.55 54.90 3it5 s ASP 154 Cb 0.00 -2.57 1.38 0.00 -1.46 0.00 0.00 42.92 40.27 3it5 s ASP 154 CO 0.00 -0.95 1.81 0.00 0.52 0.00 0.00 175.17 176.55 3it5 h ARG 156 N 0.00 0.04 0.00 0.00 2.43 -2.02 -3.41 114.38 111.43 3it5 h ARG 156 Ca 0.00 -0.07 -0.34 0.00 -0.81 0.00 0.00 59.98 58.76 3it5 h ARG 156 Cb 0.00 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 3it5 h ARG 156 CO 0.00 0.99 -2.15 0.54 -1.51 0.00 0.00 179.97 177.83 3it5 n ARG 157 N -3.43 0.44 -4.08 0.20 1.74 -0.58 -4.99 116.66 105.96 3it5 n ARG 157 Ca -0.01 0.18 -0.34 0.00 -0.77 0.00 0.00 57.85 56.91 3it5 n ARG 157 Cb 0.91 -1.25 -0.10 0.00 -1.02 0.00 0.00 32.46 30.99 3it5 n ARG 157 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3it5 s TYR 158 N -2.38 3.19 0.06 -1.55 5.04 0.27 -4.23 117.35 117.75 3it5 s TYR 158 Ca -0.29 -0.04 -0.27 0.00 -2.44 0.00 0.00 57.07 54.03 3it5 s TYR 158 Cb 0.11 -2.06 0.09 0.00 0.35 0.00 0.00 41.96 40.44 3it5 s TYR 158 CO 0.37 0.08 0.96 1.52 -1.34 0.00 0.00 175.55 177.14 3it5 s TYR 159 N 0.45 -0.22 -0.33 4.97 -0.85 -1.03 -3.92 117.35 116.43 3it5 s TYR 159 Ca 0.01 0.01 -0.08 0.00 -0.52 0.00 0.00 57.07 56.49 3it5 s TYR 159 Cb -0.13 0.59 0.02 0.00 0.38 0.00 0.00 41.96 42.82 3it5 s TYR 159 CO 0.01 -0.65 0.12 -0.06 -1.52 0.00 0.00 175.55 173.45 3it5 s PHE 160 N -3.13 3.20 -0.40 -3.49 0.08 0.11 -1.31 117.98 113.04 3it5 s PHE 160 Ca 0.09 -1.07 -0.19 0.00 0.12 0.00 0.00 56.93 55.88 3it5 s PHE 160 Cb -0.01 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 40.15 3it5 s PHE 160 CO -0.03 -0.62 0.58 -0.47 -0.10 0.00 0.00 175.22 174.57 3it5 s TYR 161 N 1.49 3.13 -0.45 0.36 5.04 0.11 -0.64 117.35 126.40 3it5 s TYR 161 Ca 0.01 0.05 -0.28 0.00 -2.44 0.00 0.00 57.07 54.41 3it5 s TYR 161 Cb -0.18 -3.13 -0.01 0.00 0.35 0.00 0.00 41.96 38.98 3it5 s TYR 161 CO 0.04 -0.71 1.70 1.21 -1.34 0.00 0.00 175.55 176.44 3it5 s ASN 162 N 1.87 5.84 0.57 4.32 3.84 0.02 -0.57 114.94 130.83 3it5 s ASN 162 Ca 0.20 0.84 0.36 0.00 0.21 0.00 0.00 52.86 54.48 3it5 s ASN 162 Cb -0.15 -2.53 1.63 0.00 -0.55 0.00 0.00 41.25 39.65 3it5 s ASN 162 CO 0.16 -1.83 2.07 1.56 -2.79 0.00 0.00 177.10 176.27 3it5 h GLN 163 N 12.79 0.00 0.00 0.43 4.20 -1.37 -0.11 115.11 131.05 3it5 h GLN 163 Ca -0.30 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.21 3it5 h GLN 163 Cb 1.15 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.89 3it5 h GLN 163 CO 1.11 0.00 -1.60 0.45 -0.67 0.00 0.00 178.83 178.12 3it5 n SER 164 N -3.03 0.74 -0.00 1.46 2.88 -1.26 -4.47 113.62 109.93 3it5 n SER 164 Ca -0.00 0.33 0.06 0.00 -1.33 0.00 0.00 58.87 57.93 3it5 n SER 164 Cb 0.23 0.28 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 3it5 n SER 164 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3it5 n ALA 165 N -2.46 2.75 -1.03 -1.46 0.00 -1.14 -4.99 120.51 112.18 3it5 n ALA 165 Ca -0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 53.44 53.01 3it5 n ALA 165 Cb 0.90 -0.40 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 3it5 n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3it5 n GLY 166 N 1.66 0.47 3.87 0.00 0.00 -0.07 -5.01 105.19 106.12 3it5 n GLY 166 Ca -0.01 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 3it5 n GLY 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3it5 s THR 167 N -1.87 5.18 -0.14 2.61 -4.23 -1.23 -4.90 115.64 111.07 3it5 s THR 167 Ca 0.00 0.35 -0.12 0.00 -1.18 0.00 0.00 61.69 60.74 3it5 s THR 167 Cb 0.00 -3.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.18 3it5 s THR 167 CO 0.00 0.34 0.24 -0.89 -0.54 0.00 0.00 174.62 173.77 3it5 s THR 168 N -1.33 5.34 -0.03 3.99 2.01 -1.26 -0.80 115.64 123.55 3it5 s THR 168 Ca 0.30 0.44 0.06 0.00 0.31 0.00 0.00 61.69 62.79 3it5 s THR 168 Cb -0.14 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 3it5 s THR 168 CO 0.17 0.48 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.37 3it5 s HIS 169 N -0.09 1.89 0.29 4.92 3.76 0.19 -4.98 115.29 121.27 3it5 s HIS 169 Ca 0.15 -0.45 0.10 0.00 -0.15 0.00 0.00 55.06 54.71 3it5 s HIS 169 Cb -0.13 -1.24 -0.05 0.00 1.11 0.00 0.00 32.58 32.27 3it5 s HIS 169 CO 0.04 -0.10 -0.07 0.00 -0.85 0.00 0.00 174.74 173.75 3it5 n ALA 171 N -0.81 0.85 -3.33 0.00 0.00 -1.26 -3.17 120.51 112.78 3it5 n ALA 171 Ca -0.05 -0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 3it5 n ALA 171 Cb 0.60 -2.26 0.02 0.00 0.00 0.00 0.00 19.45 17.81 3it5 n ALA 171 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3it5 n PHE 172 N -1.87 -1.99 -4.33 0.00 3.01 -0.35 -5.00 117.46 106.92 3it5 n PHE 172 Ca 0.15 0.58 -0.19 0.00 1.01 0.00 0.00 57.45 59.01 3it5 n PHE 172 Cb 0.48 -3.78 -0.14 0.00 -0.01 0.00 0.00 39.48 36.03 3it5 n PHE 172 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3it5 s ARG 173 N -6.01 0.80 0.11 -1.08 1.81 -1.19 -5.06 118.95 108.33 3it5 s ARG 173 Ca 0.41 -0.56 -0.33 0.00 -1.72 0.00 0.00 55.73 53.54 3it5 s ARG 173 Cb -0.20 -0.76 -0.13 0.00 -0.45 0.00 0.00 34.95 33.41 3it5 s ARG 173 CO 0.51 0.19 1.69 -2.30 -0.68 0.00 0.00 175.30 174.72 3it5 n PRO 174 N 2.30 2.32 -3.79 3.54 -0.02 -1.26 -4.42 135.00 133.66 3it5 n PRO 174 Ca -0.16 0.84 -0.37 0.00 -2.02 0.00 0.00 63.50 61.79 3it5 n PRO 174 Cb 0.56 -2.65 -0.12 0.00 -0.02 0.00 0.00 33.50 31.26 3it5 n PRO 174 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3it5 s LEU 175 N 1.83 4.74 0.21 2.45 2.96 0.33 -4.89 118.68 126.32 3it5 s LEU 175 Ca 0.82 -1.64 -0.30 0.00 -0.22 0.00 0.00 54.13 52.79 3it5 s LEU 175 Cb -0.63 -1.82 -0.09 0.00 0.50 0.00 0.00 46.19 44.14 3it5 s LEU 175 CO 0.40 -0.44 1.40 -0.47 -1.32 0.00 0.00 176.35 175.93 3it5 s TYR 176 N 1.24 3.12 -0.41 5.38 6.14 -1.26 -2.88 117.35 128.68 3it5 s TYR 176 Ca 0.03 1.05 -0.15 0.00 0.64 0.00 0.00 57.07 58.63 3it5 s TYR 176 Cb -0.22 -3.74 0.03 0.00 0.42 0.00 0.00 41.96 38.45 3it5 s TYR 176 CO -0.02 -2.45 0.30 1.21 0.64 0.00 0.00 175.55 175.24 3it5 s ASN 177 N 0.50 6.08 0.00 4.32 2.47 -0.11 -4.94 114.94 123.26 3it5 s ASN 177 Ca 0.60 -0.96 0.27 0.00 0.42 0.00 0.00 52.86 53.19 3it5 s ASN 177 Cb -0.40 -2.15 0.81 0.00 -1.45 0.00 0.00 41.25 38.07 3it5 s ASN 177 CO 0.39 -0.47 1.60 -0.81 -3.72 0.00 0.00 177.10 174.10 3it5 n PRO 178 N 5.15 0.71 0.00 0.43 -0.04 -1.26 -0.43 135.00 139.56 3it5 n PRO 178 Ca -0.11 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 3it5 n PRO 178 Cb 0.47 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3it5 n PRO 178 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3it5 n GLY 179 N 1.35 -1.12 3.76 0.55 0.00 -1.26 -4.89 105.19 103.59 3it5 n GLY 179 Ca 0.12 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 3it5 n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3it5 s LEU 180 N 0.00 4.08 0.80 0.99 1.43 -1.26 -3.76 118.68 120.96 3it5 s LEU 180 Ca 0.00 2.57 -0.06 0.00 -1.03 0.00 0.00 54.13 55.61 3it5 s LEU 180 Cb 0.00 -4.08 0.15 0.00 0.03 0.00 0.00 46.19 42.29 3it5 s LEU 180 CO 0.00 -1.02 1.11 0.00 0.23 0.00 0.00 176.35 176.67 3it5 s ALA 181 N -1.35 3.16 0.00 4.21 0.00 -1.26 -4.89 121.76 121.63 3it5 s ALA 181 Ca 0.62 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3it5 s ALA 181 Cb -0.36 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.45 3it5 s ALA 181 CO 0.44 -1.78 0.00 -0.11 0.00 0.00 0.00 175.76 174.31