#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkz s PRO 85 N 0.00 4.32 -0.73 2.12 0.02 -1.26 -4.93 135.00 134.53 2kkz s PRO 85 Ca 0.00 2.10 -0.26 0.00 0.02 0.00 0.00 61.00 62.87 2kkz s PRO 85 Cb 0.00 -3.23 -0.08 0.00 0.02 0.00 0.00 34.50 31.21 2kkz s PRO 85 CO 0.00 -0.43 2.22 0.00 -0.33 0.00 0.00 177.00 178.46 2kkz s ALA 86 N 0.97 1.34 -1.39 -1.55 0.00 -1.26 -4.79 121.76 115.08 2kkz s ALA 86 Ca 0.64 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 51.67 2kkz s ALA 86 Cb -0.37 -4.48 0.04 0.00 0.00 0.00 0.00 23.12 18.30 2kkz s ALA 86 CO 0.32 -5.05 2.11 0.45 0.00 0.00 0.00 175.76 173.58 2kkz n SER 87 N 16.09 4.03 -4.07 0.00 2.88 -1.25 -3.33 113.62 127.97 2kkz n SER 87 Ca 0.39 -2.85 -0.24 0.00 -1.33 0.00 0.00 58.87 54.84 2kkz n SER 87 Cb 0.48 -1.65 -0.16 0.00 -0.75 0.00 0.00 64.21 62.12 2kkz n SER 87 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2kkz s ARG 88 N 3.55 1.58 -0.57 -1.46 3.52 -1.13 -4.91 118.95 119.54 2kkz s ARG 88 Ca 0.49 -0.48 -0.24 0.00 -0.13 0.00 0.00 55.73 55.38 2kkz s ARG 88 Cb 0.12 -1.36 0.04 0.00 -1.56 0.00 0.00 34.95 32.19 2kkz s ARG 88 CO -0.04 0.14 0.95 0.71 -0.81 0.00 0.00 175.30 176.25 2kkz s TYR 89 N 0.28 2.77 -0.08 5.12 1.51 -1.26 -0.67 117.35 125.02 2kkz s TYR 89 Ca -0.07 -0.08 -0.30 0.00 -1.01 0.00 0.00 57.07 55.61 2kkz s TYR 89 Cb -0.12 -4.10 -0.02 0.00 -0.11 0.00 0.00 41.96 37.60 2kkz s TYR 89 CO 0.02 -1.40 1.06 0.42 -1.11 0.00 0.00 175.55 174.55 2kkz s ILE 90 N 3.98 4.64 -0.58 2.71 -1.09 0.14 -4.90 121.20 126.10 2kkz s ILE 90 Ca 0.29 1.92 -0.01 0.00 -2.23 0.00 0.00 60.65 60.62 2kkz s ILE 90 Cb -0.13 -4.23 0.15 0.00 -1.58 0.00 0.00 42.46 36.67 2kkz s ILE 90 CO 0.18 0.02 0.37 0.42 -1.23 0.00 0.00 174.94 174.70 2kkz s THR 91 N 1.95 3.41 -0.37 2.92 -4.23 -1.26 -1.52 115.64 116.55 2kkz s THR 91 Ca 0.51 -2.95 0.27 0.00 -1.18 0.00 0.00 61.69 58.34 2kkz s THR 91 Cb -0.20 -3.26 0.33 0.00 1.34 0.00 0.00 72.50 70.70 2kkz s THR 91 CO 0.20 -0.84 1.77 0.44 -0.54 0.00 0.00 174.62 175.65 2kkz h ASP 92 N 7.02 0.00 -3.31 3.99 3.32 -1.80 -3.43 116.42 122.21 2kkz h ASP 92 Ca -0.04 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.34 2kkz h ASP 92 Cb 0.95 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.19 2kkz h ASP 92 CO 0.70 0.00 -0.82 -0.04 -1.72 0.00 0.00 179.24 177.36 2kkz s MET 93 N -3.33 3.20 0.70 3.56 -1.94 -1.26 -4.81 119.30 115.41 2kkz s MET 93 Ca 0.06 -0.78 -0.11 0.00 -1.71 0.00 0.00 55.69 53.14 2kkz s MET 93 Cb 0.09 -2.49 0.01 0.00 2.01 0.00 0.00 34.83 34.44 2kkz s MET 93 CO 0.57 0.15 1.07 0.99 -0.01 0.00 0.00 175.02 177.78 2kkz s THR 94 N 0.47 3.90 0.42 2.05 2.01 -1.26 -4.83 115.64 118.40 2kkz s THR 94 Ca -0.13 0.62 0.22 0.00 0.31 0.00 0.00 61.69 62.71 2kkz s THR 94 Cb -0.17 -3.50 0.42 0.00 0.01 0.00 0.00 72.50 69.26 2kkz s THR 94 CO 0.05 -0.80 1.77 0.40 -0.69 0.00 0.00 174.62 175.35 2kkz h ILE 95 N -0.66 0.49 0.00 1.82 5.03 -2.00 -1.74 117.51 120.45 2kkz h ILE 95 Ca -0.45 -0.11 0.00 0.00 -0.12 0.00 0.00 64.86 64.18 2kkz h ILE 95 Cb 1.23 0.14 0.00 0.00 -3.03 0.00 0.00 36.82 35.16 2kkz h ILE 95 CO 0.61 0.06 0.00 -0.62 -0.68 0.00 0.00 178.15 177.51 2kkz n GLU 96 N -4.57 0.00 0.17 2.37 1.02 -1.26 -1.23 120.64 117.15 2kkz n GLU 96 Ca 0.26 0.65 0.01 0.00 -0.02 0.00 0.00 57.16 58.07 2kkz n GLU 96 Cb 0.96 -1.44 0.30 0.00 -0.02 0.00 0.00 31.44 31.23 2kkz n GLU 96 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2kkz h GLU 97 N 0.00 0.00 -0.59 3.49 9.09 -1.88 -1.34 114.58 123.35 2kkz h GLU 97 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 2kkz h GLU 97 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 2kkz h GLU 97 CO 0.00 0.45 0.28 1.25 0.05 0.00 0.00 179.01 181.03 2kkz h LEU 98 N 0.00 0.77 -3.13 3.06 6.46 -1.32 -3.03 115.31 118.12 2kkz h LEU 98 Ca -0.00 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2kkz h LEU 98 Cb 0.80 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 2kkz h LEU 98 CO 0.06 0.69 0.00 -1.20 -0.62 0.00 0.00 178.44 177.37 2kkz n SER 99 N -4.52 4.21 -4.74 1.25 7.64 -0.36 -4.99 113.62 112.11 2kkz n SER 99 Ca 0.03 -2.51 -0.41 0.00 1.01 0.00 0.00 58.87 57.00 2kkz n SER 99 Cb 0.13 -0.50 -0.05 0.00 -1.01 0.00 0.00 64.21 62.78 2kkz n SER 99 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2kkz s ARG 100 N -1.94 4.68 0.18 1.43 3.52 -0.53 -5.02 118.95 121.28 2kkz s ARG 100 Ca 0.43 1.39 -0.17 0.00 -0.13 0.00 0.00 55.73 57.25 2kkz s ARG 100 Cb 0.29 -3.36 -0.08 0.00 -1.56 0.00 0.00 34.95 30.25 2kkz s ARG 100 CO 0.19 0.28 0.63 -0.51 -0.81 0.00 0.00 175.30 175.07 2kkz s ASP 101 N -0.20 6.92 0.04 -2.12 1.01 -1.26 -5.02 116.67 116.04 2kkz s ASP 101 Ca 0.44 1.23 -0.17 0.00 0.71 0.00 0.00 52.55 54.76 2kkz s ASP 101 Cb -0.23 -2.35 0.03 0.00 1.01 0.00 0.00 42.92 41.38 2kkz s ASP 101 CO 0.29 0.07 0.39 -1.66 0.21 0.00 0.00 175.17 174.46 2kkz s TRP 102 N -1.50 -0.24 0.32 4.23 1.48 -1.26 -5.02 118.94 116.95 2kkz s TRP 102 Ca 0.40 0.20 0.02 0.00 -1.06 0.00 0.00 56.10 55.67 2kkz s TRP 102 Cb -0.16 0.19 -0.03 0.00 -1.16 0.00 0.00 33.47 32.32 2kkz s TRP 102 CO 0.20 -0.55 0.49 -0.59 -4.06 0.00 0.00 176.95 172.44 2kkz s PHE 103 N -2.37 3.45 -0.15 1.66 -0.71 -1.26 -5.11 117.98 113.48 2kkz s PHE 103 Ca -0.06 0.20 -0.00 0.00 -1.04 0.00 0.00 56.93 56.02 2kkz s PHE 103 Cb -0.01 -1.81 0.04 0.00 -1.21 0.00 0.00 43.02 40.02 2kkz s PHE 103 CO -0.02 0.20 -0.07 -1.64 -1.34 0.00 0.00 175.22 172.35 2kkz s MET 104 N -4.21 1.54 -0.03 1.99 -1.94 -1.26 -4.85 119.30 110.54 2kkz s MET 104 Ca 0.39 -0.46 -0.22 0.00 -1.71 0.00 0.00 55.69 53.69 2kkz s MET 104 Cb -0.09 -1.91 -0.16 0.00 2.01 0.00 0.00 34.83 34.68 2kkz s MET 104 CO 0.34 -0.37 0.99 1.25 -0.01 0.00 0.00 175.02 177.21 2kkz h LEU 105 N 8.13 -0.26 -7.29 -0.03 6.46 -1.98 -3.40 115.31 116.93 2kkz h LEU 105 Ca -0.27 -0.27 -0.64 0.00 -0.12 0.00 0.00 57.88 56.58 2kkz h LEU 105 Cb 1.12 0.07 -0.41 0.00 -0.73 0.00 0.00 40.66 40.71 2kkz h LEU 105 CO 0.41 0.22 -0.58 -0.04 -0.62 0.00 0.00 178.44 177.84 2kkz s MET 106 N -3.85 2.22 -0.35 1.25 -1.94 -1.26 -5.02 119.30 110.35 2kkz s MET 106 Ca -0.13 -2.88 -0.29 0.00 -1.71 0.00 0.00 55.69 50.68 2kkz s MET 106 Cb 0.01 -3.40 0.01 0.00 2.01 0.00 0.00 34.83 33.46 2kkz s MET 106 CO 0.49 -1.18 1.28 -2.14 -0.01 0.00 0.00 175.02 173.46 2kkz s PRO 107 N -0.70 3.84 -0.51 2.03 0.02 -1.26 -1.39 135.00 137.04 2kkz s PRO 107 Ca 0.20 1.08 -0.21 0.00 0.02 0.00 0.00 61.00 62.09 2kkz s PRO 107 Cb -0.18 -3.89 0.04 0.00 0.02 0.00 0.00 34.50 30.49 2kkz s PRO 107 CO -0.06 -1.21 0.75 0.21 -0.33 0.00 0.00 177.00 176.36 2kkz s LYS 108 N 4.29 3.24 -0.49 5.54 2.47 -0.20 -4.99 119.74 129.61 2kkz s LYS 108 Ca 0.55 -0.52 -0.21 0.00 -1.56 0.00 0.00 55.97 54.22 2kkz s LYS 108 Cb -0.14 -4.05 0.04 0.00 -1.46 0.00 0.00 37.83 32.22 2kkz s LYS 108 CO 0.25 -1.27 0.73 -1.14 0.16 0.00 0.00 175.35 174.08 2kkz s GLN 109 N 3.18 3.25 0.01 4.03 2.00 -1.26 -3.37 119.66 127.49 2kkz s GLN 109 Ca 0.23 -0.50 -0.00 0.00 -2.00 0.00 0.00 55.36 53.08 2kkz s GLN 109 Cb -0.15 -4.03 -0.01 0.00 0.80 0.00 0.00 33.01 29.62 2kkz s GLN 109 CO 0.16 -1.22 -0.01 0.21 -0.50 0.00 0.00 175.29 173.94 2kkz s LYS 110 N 3.09 0.11 0.03 1.67 2.20 -1.24 -5.09 119.74 120.52 2kkz s LYS 110 Ca 0.23 -0.20 0.01 0.00 -0.36 0.00 0.00 55.97 55.65 2kkz s LYS 110 Cb -0.15 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.17 2kkz s LYS 110 CO 0.17 -0.02 0.06 0.08 -0.36 0.00 0.00 175.35 175.28 2kkz s VAL 111 N -0.50 4.51 -0.39 4.02 1.01 -1.26 -0.96 120.40 126.83 2kkz s VAL 111 Ca -0.05 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2kkz s VAL 111 Cb -0.03 -3.10 0.13 0.00 0.00 0.00 0.00 36.38 33.38 2kkz s VAL 111 CO -0.00 0.26 0.21 -0.70 0.00 0.00 0.00 175.10 174.87 2kkz s GLU 112 N -1.98 0.89 5.30 2.72 2.56 -0.21 -4.90 118.70 123.08 2kkz s GLU 112 Ca 0.25 -1.61 0.00 0.00 0.00 0.00 0.00 54.97 53.61 2kkz s GLU 112 Cb -0.12 -1.82 0.00 0.00 2.00 0.00 0.00 34.13 34.19 2kkz s GLU 112 CO 0.16 -1.17 0.00 0.41 -0.56 0.00 0.00 175.26 174.11 2kkz n GLY 113 N 3.89 1.15 0.50 -1.50 0.00 -1.26 -3.07 105.19 104.89 2kkz n GLY 113 Ca 0.09 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.43 2kkz n GLY 113 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kkz n PRO 114 N 12.57 1.25 -4.20 1.61 -0.02 -1.26 -4.79 135.00 140.16 2kkz n PRO 114 Ca 0.00 -0.22 -0.18 0.00 -2.02 0.00 0.00 63.50 61.08 2kkz n PRO 114 Cb 0.00 -1.45 -0.15 0.00 -0.02 0.00 0.00 33.50 31.88 2kkz n PRO 114 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kkz s LEU 115 N -0.37 1.77 -0.13 2.45 1.02 -1.17 -1.00 118.68 121.25 2kkz s LEU 115 Ca 0.04 -0.12 -0.07 0.00 0.02 0.00 0.00 54.13 54.00 2kkz s LEU 115 Cb 0.03 -0.37 -0.04 0.00 0.02 0.00 0.00 46.19 45.83 2kkz s LEU 115 CO 0.01 0.03 0.12 0.00 0.02 0.00 0.00 176.35 176.54 2kkz s ILE 117 N -0.85 4.31 -0.26 0.00 -1.09 -0.13 -2.17 121.20 121.01 2kkz s ILE 117 Ca 0.14 -0.22 -0.06 0.00 -2.23 0.00 0.00 60.65 58.28 2kkz s ILE 117 Cb -0.12 -2.87 -0.01 0.00 -1.58 0.00 0.00 42.46 37.88 2kkz s ILE 117 CO 0.03 0.53 0.04 -0.13 -1.23 0.00 0.00 174.94 174.18 2kkz s ARG 118 N -0.14 3.37 -0.10 2.79 1.81 -0.02 -3.64 118.95 123.03 2kkz s ARG 118 Ca 0.05 -0.66 0.01 0.00 -1.72 0.00 0.00 55.73 53.41 2kkz s ARG 118 Cb -0.13 -3.24 0.02 0.00 -0.45 0.00 0.00 34.95 31.15 2kkz s ARG 118 CO 0.02 -0.28 -0.13 0.42 -0.68 0.00 0.00 175.30 174.65 2kkz s ILE 119 N 1.53 1.31 -0.31 1.52 1.01 -1.22 -2.82 121.20 122.23 2kkz s ILE 119 Ca 0.05 -0.53 -0.14 0.00 0.00 0.00 0.00 60.65 60.02 2kkz s ILE 119 Cb -0.16 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 2kkz s ILE 119 CO 0.01 0.40 0.34 -0.62 0.00 0.00 0.00 174.94 175.07 2kkz s ASP 120 N 1.03 6.18 0.00 3.58 2.15 -1.12 -1.04 116.67 127.47 2kkz s ASP 120 Ca -0.07 -0.01 0.27 0.00 0.43 0.00 0.00 52.55 53.18 2kkz s ASP 120 Cb -0.15 -2.19 1.25 0.00 -0.30 0.00 0.00 42.92 41.53 2kkz s ASP 120 CO -0.01 -0.24 1.90 0.00 -0.17 0.00 0.00 175.17 176.65 2kkz n GLN 121 N 5.32 0.16 0.05 4.34 6.02 -0.48 -2.96 117.38 129.82 2kkz n GLN 121 Ca -0.10 0.03 -0.01 0.00 -0.01 0.00 0.00 57.00 56.92 2kkz n GLN 121 Cb 0.50 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.19 2kkz n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kkz h ALA 122 N 3.08 0.65 -1.51 -1.58 0.00 -1.94 -3.45 119.26 114.52 2kkz h ALA 122 Ca 0.00 -0.83 -0.56 0.00 0.00 0.00 0.00 54.91 53.51 2kkz h ALA 122 Cb 0.38 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 2kkz h ALA 122 CO 0.00 0.95 0.91 0.42 0.00 0.00 0.00 179.25 181.53 2kkz s ILE 123 N -2.88 3.96 0.12 0.00 -1.09 -1.16 -4.98 121.20 115.17 2kkz s ILE 123 Ca -0.01 0.40 0.03 0.00 -2.23 0.00 0.00 60.65 58.84 2kkz s ILE 123 Cb 0.08 -4.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.12 2kkz s ILE 123 CO 0.80 -1.59 -0.07 -0.04 -1.23 0.00 0.00 174.94 172.81 2kkz s MET 124 N 5.10 0.95 -1.49 2.79 -1.94 -1.26 -4.86 119.30 118.59 2kkz s MET 124 Ca 0.35 -1.40 0.00 0.00 -1.71 0.00 0.00 55.69 52.92 2kkz s MET 124 Cb -0.10 -0.37 0.00 0.00 2.01 0.00 0.00 34.83 36.37 2kkz s MET 124 CO 0.17 0.01 0.00 -3.47 -0.01 0.00 0.00 175.02 171.72 2kkz n ASP 125 N -0.12 -4.75 -4.45 3.03 2.03 -0.47 -4.95 116.55 106.87 2kkz n ASP 125 Ca -0.11 0.20 -0.30 0.00 0.52 0.00 0.00 54.79 55.11 2kkz n ASP 125 Cb 0.61 -3.74 -0.12 0.00 -0.72 0.00 0.00 41.12 37.15 2kkz n ASP 125 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2kkz s LYS 126 N -3.97 1.75 -0.53 -0.67 -0.14 -1.26 -4.91 119.74 110.00 2kkz s LYS 126 Ca 0.00 -1.18 -0.24 0.00 -1.36 0.00 0.00 55.97 53.19 2kkz s LYS 126 Cb 0.00 -2.07 0.04 0.00 -1.68 0.00 0.00 37.83 34.12 2kkz s LYS 126 CO 0.00 0.49 0.91 -0.80 -0.76 0.00 0.00 175.35 175.19 2kkz s ASN 127 N -1.92 6.35 -0.20 2.83 0.02 -1.26 -0.83 114.94 119.94 2kkz s ASN 127 Ca 0.16 -0.32 -0.09 0.00 -1.02 0.00 0.00 52.86 51.59 2kkz s ASN 127 Cb -0.10 -2.43 -0.04 0.00 0.02 0.00 0.00 41.25 38.70 2kkz s ASN 127 CO 0.08 -1.17 0.10 -0.63 0.02 0.00 0.00 177.10 175.49 2kkz s ILE 128 N 3.81 5.02 -0.33 0.60 1.01 0.11 -1.51 121.20 129.91 2kkz s ILE 128 Ca 0.30 0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.87 2kkz s ILE 128 Cb -0.13 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 2kkz s ILE 128 CO 0.20 0.43 0.27 -0.32 0.00 0.00 0.00 174.94 175.52 2kkz s MET 129 N 0.54 3.62 -0.49 2.79 -2.45 0.04 -1.76 119.30 121.59 2kkz s MET 129 Ca 0.05 -0.49 -0.16 0.00 -1.25 0.00 0.00 55.69 53.84 2kkz s MET 129 Cb -0.12 -3.77 0.07 0.00 1.25 0.00 0.00 34.83 32.26 2kkz s MET 129 CO 0.00 -0.41 0.46 -0.51 1.05 0.00 0.00 175.02 175.62 2kkz s LEU 130 N 1.83 5.52 0.09 4.11 2.01 -0.47 -1.57 118.68 130.20 2kkz s LEU 130 Ca 0.08 -1.27 0.07 0.00 0.01 0.00 0.00 54.13 53.02 2kkz s LEU 130 Cb -0.17 -2.25 -0.03 0.00 0.01 0.00 0.00 46.19 43.75 2kkz s LEU 130 CO 0.11 -0.73 -0.18 -0.54 1.01 0.00 0.00 176.35 176.01 2kkz s LYS 131 N 1.89 1.02 0.01 1.70 1.02 -0.84 -0.73 119.74 123.82 2kkz s LYS 131 Ca 0.07 -1.06 -0.02 0.00 0.02 0.00 0.00 55.97 54.97 2kkz s LYS 131 Cb -0.24 -1.18 -0.01 0.00 -0.52 0.00 0.00 37.83 35.88 2kkz s LYS 131 CO 0.07 0.27 0.02 0.00 -0.92 0.00 0.00 175.35 174.80 2kkz s ALA 132 N -1.17 -0.01 -0.29 5.17 0.00 -1.26 -0.94 121.76 123.25 2kkz s ALA 132 Ca 0.03 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 2kkz s ALA 132 Cb -0.10 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2kkz s ALA 132 CO 0.03 -0.17 0.20 -0.80 0.00 0.00 0.00 175.76 175.02 2kkz s ASN 133 N -1.43 6.00 0.10 0.00 -0.87 0.30 -2.04 114.94 117.01 2kkz s ASN 133 Ca -0.16 -0.12 -0.14 0.00 -1.57 0.00 0.00 52.86 50.87 2kkz s ASN 133 Cb -0.09 -2.12 0.03 0.00 -0.02 0.00 0.00 41.25 39.05 2kkz s ASN 133 CO -0.00 -0.09 0.35 0.72 -2.57 0.00 0.00 177.10 175.50 2kkz s PHE 134 N 1.75 -0.13 0.32 2.20 -0.71 -0.57 -1.45 117.98 119.39 2kkz s PHE 134 Ca 0.07 -0.18 -0.14 0.00 -1.04 0.00 0.00 56.93 55.64 2kkz s PHE 134 Cb -0.16 0.18 -0.09 0.00 -1.21 0.00 0.00 43.02 41.74 2kkz s PHE 134 CO 0.11 -0.64 0.72 -1.12 -1.34 0.00 0.00 175.22 172.94 2kkz s SER 135 N -2.69 6.73 0.06 1.98 0.01 -0.13 -0.68 113.70 118.97 2kkz s SER 135 Ca 0.02 1.23 0.09 0.00 1.31 0.00 0.00 55.95 58.59 2kkz s SER 135 Cb 0.02 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 2kkz s SER 135 CO -0.10 -0.21 -0.24 -0.69 0.41 0.00 0.00 173.24 172.41 2kkz s VAL 136 N -2.01 1.92 -0.17 3.43 1.01 0.15 -1.09 120.40 123.64 2kkz s VAL 136 Ca 0.53 -1.36 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 2kkz s VAL 136 Cb -0.10 -1.66 0.09 0.00 0.00 0.00 0.00 36.38 34.70 2kkz s VAL 136 CO 0.19 0.23 0.80 -0.51 0.00 0.00 0.00 175.10 175.81 2kkz s ILE 137 N -0.86 0.00 -1.62 2.22 1.10 -0.52 -2.82 121.20 118.71 2kkz s ILE 137 Ca 0.10 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.24 2kkz s ILE 137 Cb -0.09 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.52 2kkz s ILE 137 CO 0.03 0.00 0.00 0.49 -2.11 0.00 0.00 174.94 173.35 2kkz n PHE 138 N 1.61 -0.75 -1.81 3.50 3.72 -1.26 -1.35 117.46 121.12 2kkz n PHE 138 Ca -0.15 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.14 2kkz n PHE 138 Cb 0.56 -3.27 -0.02 0.00 -0.94 0.00 0.00 39.48 35.81 2kkz n PHE 138 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2kkz n ASP 139 N -1.50 -3.89 -4.27 4.37 9.92 -1.26 -5.03 116.55 114.89 2kkz n ASP 139 Ca -0.19 0.11 -0.19 0.00 -0.53 0.00 0.00 54.79 53.99 2kkz n ASP 139 Cb 0.61 -2.77 -0.10 0.00 -0.64 0.00 0.00 41.12 38.22 2kkz n ASP 139 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kkz s ARG 140 N -3.81 1.56 -0.30 -1.24 1.70 -0.46 -4.59 118.95 111.80 2kkz s ARG 140 Ca 0.00 -1.87 -0.29 0.00 -0.47 0.00 0.00 55.73 53.10 2kkz s ARG 140 Cb 0.00 -0.43 -0.00 0.00 -0.57 0.00 0.00 34.95 33.95 2kkz s ARG 140 CO 0.00 -0.32 1.39 -1.17 -1.08 0.00 0.00 175.30 174.12 2kkz s LEU 141 N -3.40 3.83 -0.04 -1.89 0.20 -1.20 -1.43 118.68 114.75 2kkz s LEU 141 Ca 0.36 1.22 -0.10 0.00 0.69 0.00 0.00 54.13 56.29 2kkz s LEU 141 Cb 0.07 -3.54 -0.06 0.00 -0.43 0.00 0.00 46.19 42.24 2kkz s LEU 141 CO 0.15 -1.18 0.48 -0.08 -0.29 0.00 0.00 176.35 175.43 2kkz h GLU 142 N 9.85 -0.35 -3.00 1.98 4.57 -1.39 -3.35 114.58 122.88 2kkz h GLU 142 Ca -0.28 0.02 -0.21 0.00 -1.18 0.00 0.00 59.36 57.72 2kkz h GLU 142 Cb 1.11 0.08 -0.31 0.00 -0.16 0.00 0.00 28.75 29.47 2kkz h GLU 142 CO 1.04 -0.24 -0.51 0.99 -1.18 0.00 0.00 179.01 179.11 2kkz s THR 143 N -2.76 -0.13 -0.04 0.32 2.01 -1.25 -4.13 115.64 109.67 2kkz s THR 143 Ca -0.05 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 2kkz s THR 143 Cb 0.01 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 2kkz s THR 143 CO 0.16 0.08 1.26 -0.22 -0.69 0.00 0.00 174.62 175.21 2kkz s LEU 144 N 1.54 4.29 -0.14 4.42 2.96 -1.26 -0.96 118.68 129.53 2kkz s LEU 144 Ca -0.07 1.90 -0.24 0.00 -0.22 0.00 0.00 54.13 55.50 2kkz s LEU 144 Cb -0.11 -3.56 -0.25 0.00 0.50 0.00 0.00 46.19 42.77 2kkz s LEU 144 CO -0.08 -0.62 0.61 0.40 -1.32 0.00 0.00 176.35 175.34 2kkz h ILE 145 N 4.98 1.43 -1.74 6.68 5.03 -1.61 -3.45 117.51 128.85 2kkz h ILE 145 Ca -0.35 -2.33 0.02 0.00 -0.12 0.00 0.00 64.86 62.08 2kkz h ILE 145 Cb 1.17 2.98 -0.22 0.00 -3.03 0.00 0.00 36.82 37.71 2kkz h ILE 145 CO 0.89 0.56 0.39 -0.22 -0.68 0.00 0.00 178.15 179.08 2kkz s LEU 146 N -8.00 -0.50 0.14 1.44 2.96 -0.64 -4.46 118.68 109.61 2kkz s LEU 146 Ca -0.21 0.67 0.06 0.00 -0.22 0.00 0.00 54.13 54.43 2kkz s LEU 146 Cb 0.01 2.12 -0.04 0.00 0.50 0.00 0.00 46.19 48.78 2kkz s LEU 146 CO 0.69 -0.38 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.99 2kkz s LEU 147 N -0.77 2.46 -0.17 -0.68 0.20 -0.41 -0.54 118.68 118.77 2kkz s LEU 147 Ca -0.04 -0.89 -0.18 0.00 0.69 0.00 0.00 54.13 53.71 2kkz s LEU 147 Cb -0.01 -0.51 0.05 0.00 -0.43 0.00 0.00 46.19 45.28 2kkz s LEU 147 CO 0.03 -0.20 0.50 -0.60 -0.29 0.00 0.00 176.35 175.79 2kkz s ARG 148 N -3.08 0.62 -0.23 1.98 3.52 -0.11 -1.29 118.95 120.36 2kkz s ARG 148 Ca 0.13 0.62 -0.05 0.00 -0.13 0.00 0.00 55.73 56.29 2kkz s ARG 148 Cb -0.02 0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 33.65 2kkz s ARG 148 CO 0.03 -0.09 0.01 0.00 -0.81 0.00 0.00 175.30 174.44 2kkz s ALA 149 N 0.09 2.99 0.20 6.12 0.00 -0.52 -1.98 121.76 128.66 2kkz s ALA 149 Ca -0.01 -1.11 0.08 0.00 0.00 0.00 0.00 51.96 50.91 2kkz s ALA 149 Cb -0.03 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 2kkz s ALA 149 CO 0.01 -0.38 0.01 -0.06 0.00 0.00 0.00 175.76 175.34 2kkz s PHE 150 N 1.41 2.83 0.39 0.00 0.08 -0.61 -1.38 117.98 120.70 2kkz s PHE 150 Ca 0.05 -0.15 0.07 0.00 0.12 0.00 0.00 56.93 57.02 2kkz s PHE 150 Cb -0.15 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 40.96 2kkz s PHE 150 CO 0.01 0.54 0.53 0.95 -0.10 0.00 0.00 175.22 177.14 2kkz s THR 151 N -1.86 3.37 0.10 0.64 -4.23 -0.32 -0.78 115.64 112.56 2kkz s THR 151 Ca 0.28 -1.01 0.31 0.00 -1.18 0.00 0.00 61.69 60.09 2kkz s THR 151 Cb -0.09 -3.14 0.35 0.00 1.34 0.00 0.00 72.50 70.96 2kkz s THR 151 CO 0.19 -0.06 1.93 1.05 -0.54 0.00 0.00 174.62 177.20 2kkz h GLU 152 N 0.74 0.00 -0.02 3.99 -0.00 -1.61 -1.86 114.58 115.82 2kkz h GLU 152 Ca -0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 58.92 2kkz h GLU 152 Cb 1.27 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.02 2kkz h GLU 152 CO 0.48 0.06 -0.07 0.93 -0.00 0.00 0.00 179.01 180.41 2kkz h GLU 153 N 0.00 0.03 0.00 1.06 4.39 -1.95 -3.47 114.58 114.64 2kkz h GLU 153 Ca -0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kkz h GLU 153 Cb 0.59 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2kkz h GLU 153 CO 0.01 0.11 0.00 0.41 -1.16 0.00 0.00 179.01 178.38 2kkz n GLY 154 N -1.29 0.98 3.78 -3.84 0.00 -0.70 -5.10 105.19 99.02 2kkz n GLY 154 Ca -0.02 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2kkz n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkz s ALA 155 N -2.00 3.70 -0.05 4.61 0.00 -1.26 -4.87 121.76 121.89 2kkz s ALA 155 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 2kkz s ALA 155 Cb 0.00 -1.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.11 2kkz s ALA 155 CO 0.00 0.40 1.04 0.42 0.00 0.00 0.00 175.76 177.62 2kkz s ILE 156 N -0.34 4.68 0.00 0.00 1.01 -1.26 -1.17 121.20 124.12 2kkz s ILE 156 Ca 0.11 1.94 0.00 0.00 0.00 0.00 0.00 60.65 62.70 2kkz s ILE 156 Cb -0.12 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.11 2kkz s ILE 156 CO 0.01 0.06 0.40 1.33 0.00 0.00 0.00 174.94 176.74 2kkz n VAL 157 N 4.31 0.09 -3.79 2.92 0.24 -0.48 -4.65 118.33 116.98 2kkz n VAL 157 Ca 0.08 -0.37 -0.04 0.00 -2.04 0.00 0.00 64.34 61.97 2kkz n VAL 157 Cb 0.49 1.26 -0.02 0.00 -1.47 0.00 0.00 33.84 34.10 2kkz n VAL 157 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kkz s GLY 158 N -0.09 -0.19 -0.10 7.63 0.00 -1.13 -2.77 107.32 110.67 2kkz s GLY 158 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 44.72 44.42 2kkz s GLY 158 CO 0.00 -0.02 0.94 1.85 0.00 0.00 0.00 173.10 175.87 2kkz s GLU 159 N -3.45 0.70 -0.27 2.90 2.12 -1.13 -1.44 118.70 118.13 2kkz s GLU 159 Ca 0.12 -0.01 -0.00 0.00 0.36 0.00 0.00 54.97 55.44 2kkz s GLU 159 Cb -0.03 0.33 0.08 0.00 0.26 0.00 0.00 34.13 34.78 2kkz s GLU 159 CO 0.04 -0.26 0.04 0.42 -0.54 0.00 0.00 175.26 174.96 2kkz s ILE 160 N -1.85 1.15 -0.22 -3.70 1.01 -0.41 -0.84 121.20 116.34 2kkz s ILE 160 Ca 0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 60.65 59.28 2kkz s ILE 160 Cb -0.01 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 2kkz s ILE 160 CO -0.02 -0.44 -0.01 -0.94 0.00 0.00 0.00 174.94 173.53 2kkz s SER 161 N 1.52 4.60 0.37 3.58 1.04 -0.92 -1.28 113.70 122.59 2kkz s SER 161 Ca 0.04 -0.30 -0.28 0.00 0.48 0.00 0.00 55.95 55.89 2kkz s SER 161 Cb -0.18 -1.79 -0.11 0.00 0.10 0.00 0.00 66.02 64.04 2kkz s SER 161 CO -0.15 0.01 1.43 -2.84 0.98 0.00 0.00 173.24 172.66 2kkz s PRO 162 N 1.31 4.17 -0.06 4.02 0.02 -1.26 -1.23 135.00 141.97 2kkz s PRO 162 Ca 0.04 2.45 -0.30 0.00 0.02 0.00 0.00 61.00 63.21 2kkz s PRO 162 Cb -0.15 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 2kkz s PRO 162 CO -0.00 -0.43 1.34 -0.51 -0.33 0.00 0.00 177.00 177.06 2kkz s LEU 163 N -2.03 4.27 0.03 -5.54 1.43 -0.17 -4.86 118.68 111.81 2kkz s LEU 163 Ca 0.52 1.94 0.13 0.00 -1.03 0.00 0.00 54.13 55.69 2kkz s LEU 163 Cb -0.44 -3.55 0.58 0.00 0.03 0.00 0.00 46.19 42.81 2kkz s LEU 163 CO 0.60 -0.72 1.43 -0.81 0.23 0.00 0.00 176.35 177.08 2kkz n PRO 164 N 5.85 0.02 0.00 1.29 -0.04 -1.26 -1.67 135.00 139.19 2kkz n PRO 164 Ca 0.13 0.30 0.15 0.00 -0.04 0.00 0.00 63.50 64.05 2kkz n PRO 164 Cb 0.45 -1.54 0.83 0.00 -0.04 0.00 0.00 33.50 33.20 2kkz n PRO 164 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2kkz n SER 165 N -1.58 0.18 -3.78 3.54 3.41 -1.26 -4.55 113.62 109.58 2kkz n SER 165 Ca 0.03 -0.79 -0.30 0.00 -0.26 0.00 0.00 58.87 57.54 2kkz n SER 165 Cb 0.15 -0.07 -0.15 0.00 -0.26 0.00 0.00 64.21 63.88 2kkz n SER 165 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2kkz s PHE 166 N -2.19 2.11 -1.18 7.33 0.08 -0.67 -5.07 117.98 118.39 2kkz s PHE 166 Ca 0.40 -2.04 -0.22 0.00 0.12 0.00 0.00 56.93 55.20 2kkz s PHE 166 Cb 0.21 -1.96 -0.06 0.00 -0.57 0.00 0.00 43.02 40.64 2kkz s PHE 166 CO 0.40 -0.88 1.90 -0.35 -0.10 0.00 0.00 175.22 176.19 2kkz n PRO 167 N 4.61 1.89 0.00 0.24 -0.04 -1.26 -4.76 135.00 135.69 2kkz n PRO 167 Ca 0.00 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.89 2kkz n PRO 167 Cb 0.41 -3.63 0.00 0.00 -0.04 0.00 0.00 33.50 30.24 2kkz n PRO 167 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kkz n GLY 168 N 5.60 2.66 3.58 0.55 0.00 -1.26 -5.15 105.19 111.17 2kkz n GLY 168 Ca 0.46 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 2kkz n GLY 168 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kkz s HIS 169 N -2.65 0.49 0.38 1.61 -3.43 -1.26 -4.97 115.29 105.47 2kkz s HIS 169 Ca 0.00 -0.85 0.05 0.00 -0.80 0.00 0.00 55.06 53.46 2kkz s HIS 169 Cb 0.00 0.17 -0.00 0.00 -1.43 0.00 0.00 32.58 31.31 2kkz s HIS 169 CO 0.00 -1.05 0.54 0.95 -2.00 0.00 0.00 174.74 173.18 2kkz s THR 170 N -3.73 3.81 0.39 -5.38 -4.23 -1.26 -4.74 115.64 100.51 2kkz s THR 170 Ca 0.24 -0.88 0.14 0.00 -1.18 0.00 0.00 61.69 60.01 2kkz s THR 170 Cb -0.01 -3.34 0.36 0.00 1.34 0.00 0.00 72.50 70.85 2kkz s THR 170 CO 0.11 -0.16 1.86 -0.29 -0.54 0.00 0.00 174.62 175.61 2kkz h ILE 171 N 0.70 0.74 -0.54 2.99 2.10 -1.72 -2.71 117.51 119.08 2kkz h ILE 171 Ca -0.45 -0.18 0.01 0.00 1.08 0.00 0.00 64.86 65.33 2kkz h ILE 171 Cb 1.26 0.18 -0.03 0.00 -1.09 0.00 0.00 36.82 37.14 2kkz h ILE 171 CO 0.52 0.09 0.35 -0.33 -1.08 0.00 0.00 178.15 177.71 2kkz h GLU 172 N 0.51 0.69 -0.50 2.19 5.08 -1.94 -1.10 114.58 119.50 2kkz h GLU 172 Ca 0.46 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.75 2kkz h GLU 172 Cb 0.99 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2kkz h GLU 172 CO -0.19 0.46 0.20 -0.44 -1.00 0.00 0.00 179.01 178.03 2kkz h ASP 173 N 0.71 0.70 -0.53 1.42 3.32 -1.88 -2.77 116.42 117.39 2kkz h ASP 173 Ca 0.20 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 2kkz h ASP 173 Cb -0.06 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2kkz h ASP 173 CO -0.05 0.68 0.16 0.58 -1.72 0.00 0.00 179.24 178.89 2kkz h VAL 174 N 0.67 1.23 -0.60 -1.35 2.07 -1.37 -1.73 116.25 115.19 2kkz h VAL 174 Ca 0.17 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2kkz h VAL 174 Cb 0.21 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2kkz h VAL 174 CO -0.01 0.29 0.27 0.11 0.02 0.00 0.00 177.57 178.25 2kkz h LYS 175 N 0.74 0.85 -0.37 1.57 1.57 -1.14 -0.31 116.57 119.48 2kkz h LYS 175 Ca 0.17 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2kkz h LYS 175 Cb 0.28 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2kkz h LYS 175 CO -0.00 0.68 -0.01 -0.91 -0.57 0.00 0.00 179.45 178.64 2kkz h ASN 176 N 0.85 0.64 -0.55 0.86 -0.26 -1.29 -1.50 115.58 114.32 2kkz h ASN 176 Ca 0.21 -0.31 0.02 0.00 -0.56 0.00 0.00 56.30 55.65 2kkz h ASN 176 Cb 0.12 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.18 2kkz h ASN 176 CO -0.02 0.80 0.35 0.00 -1.06 0.00 0.00 177.43 177.49 2kkz h ALA 177 N 0.87 0.71 -0.21 -0.83 0.00 -0.61 -0.65 119.26 118.53 2kkz h ALA 177 Ca 0.10 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2kkz h ALA 177 Cb 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2kkz h ALA 177 CO 0.02 0.09 -0.48 0.82 0.00 0.00 0.00 179.25 179.71 2kkz h ILE 178 N 0.70 1.31 0.00 0.00 2.04 -1.08 -2.41 117.51 118.08 2kkz h ILE 178 Ca 0.21 -1.69 -0.05 0.00 1.00 0.00 0.00 64.86 64.33 2kkz h ILE 178 Cb -0.03 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2kkz h ILE 178 CO -0.07 0.53 -0.25 1.23 0.00 0.00 0.00 178.15 179.59 2kkz h GLY 179 N 1.07 0.00 0.52 5.37 0.00 -0.79 -0.78 103.07 108.46 2kkz h GLY 179 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 2kkz h GLY 179 CO 0.09 0.00 -0.29 -2.08 0.00 0.00 0.00 176.54 174.26 2kkz h VAL 180 N 0.00 1.51 0.27 4.60 2.07 -0.94 -1.29 116.25 122.47 2kkz h VAL 180 Ca -0.00 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.61 2kkz h VAL 180 Cb 0.54 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2kkz h VAL 180 CO 0.03 0.53 -0.13 0.25 0.02 0.00 0.00 177.57 178.27 2kkz h LEU 181 N -0.40 -0.31 -0.20 2.57 5.85 -1.30 -0.42 115.31 121.10 2kkz h LEU 181 Ca -0.03 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2kkz h LEU 181 Cb 1.01 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2kkz h LEU 181 CO 0.06 -0.18 0.01 0.40 -0.34 0.00 0.00 178.44 178.39 2kkz h ILE 182 N -0.41 1.24 -0.56 4.05 2.04 -1.28 -2.06 117.51 120.54 2kkz h ILE 182 Ca -0.04 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 65.05 2kkz h ILE 182 Cb 0.31 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2kkz h ILE 182 CO 0.06 0.25 0.37 1.23 0.00 0.00 0.00 178.15 180.06 2kkz h GLY 183 N 0.13 0.67 0.92 5.37 0.00 -1.23 0.97 103.07 109.90 2kkz h GLY 183 Ca 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2kkz h GLY 183 CO 0.01 0.18 0.12 -1.33 0.00 0.00 0.00 176.54 175.51 2kkz h GLY 184 N 0.56 0.39 2.00 4.60 0.00 -0.82 -2.64 103.07 107.15 2kkz h GLY 184 Ca 0.24 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 2kkz h GLY 184 CO -0.07 0.19 -0.21 1.41 0.00 0.00 0.00 176.54 177.86 2kkz h LEU 185 N 0.27 0.00 -0.33 3.11 3.38 -0.54 -0.72 115.31 120.49 2kkz h LEU 185 Ca 0.09 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 2kkz h LEU 185 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2kkz h LEU 185 CO -0.01 0.21 -0.32 -0.33 0.09 0.00 0.00 178.44 178.08 2kkz h GLU 186 N 0.00 0.80 0.00 1.13 4.39 -0.72 -1.99 114.58 118.20 2kkz h GLU 186 Ca -0.00 -0.42 -0.10 0.00 0.34 0.00 0.00 59.36 59.17 2kkz h GLU 186 Cb 0.39 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2kkz h GLU 186 CO 0.03 1.05 -0.50 0.00 -1.16 0.00 0.00 179.01 178.43 2kkz h ARG 187 N 0.58 0.00 0.00 2.33 3.08 -1.10 -2.44 114.38 116.83 2kkz h ARG 187 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2kkz h ARG 187 Cb 0.90 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 2kkz h ARG 187 CO 0.08 0.50 -0.00 -0.91 -1.07 0.00 0.00 179.97 178.57 2kkz h ASN 188 N 0.00 0.00 -4.72 7.04 -0.26 -1.05 -3.48 115.58 113.11 2kkz h ASN 188 Ca -0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.67 2kkz h ASN 188 Cb 1.11 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 38.42 2kkz h ASN 188 CO 0.06 0.00 -0.23 0.47 -1.06 0.00 0.00 177.43 176.68 2kkz n ASP 189 N -3.10 -5.86 -4.14 5.81 8.00 -0.89 -4.56 116.55 111.81 2kkz n ASP 189 Ca 0.01 -0.22 -0.10 0.00 0.71 0.00 0.00 54.79 55.19 2kkz n ASP 189 Cb 0.35 -4.02 -0.10 0.00 -0.02 0.00 0.00 41.12 37.33 2kkz n ASP 189 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kkz s ASN 190 N -2.93 0.98 -0.56 -2.24 2.20 -0.80 -1.37 114.94 110.22 2kkz s ASN 190 Ca 0.12 -0.92 -0.26 0.00 -0.94 0.00 0.00 52.86 50.86 2kkz s ASN 190 Cb -0.02 0.10 0.04 0.00 -2.00 0.00 0.00 41.25 39.37 2kkz s ASN 190 CO 0.54 -0.44 1.05 -0.89 -2.94 0.00 0.00 177.10 174.41 2kkz s THR 191 N -3.28 4.23 0.28 0.54 2.01 -0.01 -4.55 115.64 114.87 2kkz s THR 191 Ca 0.07 0.55 -0.22 0.00 0.31 0.00 0.00 61.69 62.40 2kkz s THR 191 Cb 0.03 -4.62 -0.09 0.00 0.01 0.00 0.00 72.50 67.83 2kkz s THR 191 CO -0.05 -1.21 0.82 0.68 -0.69 0.00 0.00 174.62 174.18 2kkz s VAL 192 N 4.38 4.43 -0.11 3.82 -7.23 -1.26 -0.71 120.40 123.72 2kkz s VAL 192 Ca 0.36 1.47 -0.05 0.00 -1.81 0.00 0.00 61.98 61.95 2kkz s VAL 192 Cb -0.10 -3.87 0.05 0.00 0.56 0.00 0.00 36.38 33.02 2kkz s VAL 192 CO 0.22 0.10 0.24 -0.60 -0.31 0.00 0.00 175.10 174.75 2kkz s ARG 193 N -2.19 0.16 0.17 4.82 3.52 -0.72 -4.91 118.95 119.79 2kkz s ARG 193 Ca 0.48 0.61 -0.08 0.00 -0.13 0.00 0.00 55.73 56.62 2kkz s ARG 193 Cb -0.16 -0.11 -0.06 0.00 -1.56 0.00 0.00 34.95 33.06 2kkz s ARG 193 CO 0.21 -0.23 0.45 0.08 -0.81 0.00 0.00 175.30 175.00 2kkz s VAL 194 N 1.81 5.06 0.42 7.11 1.01 -1.26 -1.36 120.40 133.18 2kkz s VAL 194 Ca -0.04 0.28 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 2kkz s VAL 194 Cb -0.11 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2kkz s VAL 194 CO -0.08 0.04 1.46 -0.24 0.00 0.00 0.00 175.10 176.27 2kkz n SER 195 N 0.14 3.53 -0.32 3.32 2.88 0.09 -4.83 113.62 118.42 2kkz n SER 195 Ca -0.02 1.17 0.12 0.00 -1.33 0.00 0.00 58.87 58.81 2kkz n SER 195 Cb 0.52 -1.61 0.34 0.00 -0.75 0.00 0.00 64.21 62.71 2kkz n SER 195 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2kkz h LYS 196 N 2.59 0.73 -0.01 -1.46 1.79 -1.97 -0.74 116.57 117.50 2kkz h LYS 196 Ca -0.51 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 57.92 2kkz h LYS 196 Cb 1.26 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2kkz h LYS 196 CO 0.62 0.48 -0.00 1.79 -1.08 0.00 0.00 179.45 181.26 2kkz h THR 197 N 0.75 1.30 -0.50 -0.16 1.35 -1.98 -2.86 112.91 110.80 2kkz h THR 197 Ca 0.52 -0.90 0.01 0.00 -0.55 0.00 0.00 66.41 65.50 2kkz h THR 197 Cb 0.82 1.88 -0.03 0.00 -1.73 0.00 0.00 68.15 69.10 2kkz h THR 197 CO -0.29 0.24 0.33 -0.07 -0.25 0.00 0.00 175.52 175.48 2kkz h LEU 198 N -0.34 0.55 0.38 3.87 3.38 -1.69 -0.57 115.31 120.89 2kkz h LEU 198 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2kkz h LEU 198 Cb 0.39 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2kkz h LEU 198 CO 0.00 0.39 -0.18 1.56 0.09 0.00 0.00 178.44 180.30 2kkz h GLN 199 N 0.65 -0.49 0.00 1.13 4.20 -1.12 -0.39 115.11 119.09 2kkz h GLN 199 Ca 0.19 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2kkz h GLN 199 Cb -0.03 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2kkz h GLN 199 CO -0.04 -0.23 -0.28 2.89 -0.67 0.00 0.00 178.83 180.50 2kkz n ARG 200 N -5.24 0.16 -0.08 1.46 -4.01 -1.04 0.12 116.66 108.04 2kkz n ARG 200 Ca -0.10 0.09 -0.20 0.00 -1.04 0.00 0.00 57.85 56.60 2kkz n ARG 200 Cb 0.26 -1.64 -0.13 0.00 -3.04 0.00 0.00 32.46 27.91 2kkz n ARG 200 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 2kkz n PHE 201 N -1.90 0.52 0.05 2.89 3.72 -0.25 -4.23 117.46 118.26 2kkz n PHE 201 Ca 0.05 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2kkz n PHE 201 Cb 0.39 -1.07 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 2kkz n PHE 201 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kkz n ALA 202 N -3.18 3.00 0.09 4.37 0.00 -0.63 -3.23 120.51 120.93 2kkz n ALA 202 Ca -0.40 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.05 2kkz n ALA 202 Cb 1.01 0.19 0.36 0.00 0.00 0.00 0.00 19.45 21.01 2kkz n ALA 202 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2kkz h TRP 203 N 0.00 0.32 0.00 0.00 2.91 -0.97 -3.34 115.95 114.88 2kkz h TRP 203 Ca 0.00 -0.04 -0.14 0.00 1.13 0.00 0.00 58.89 59.84 2kkz h TRP 203 Cb 0.00 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.54 2kkz h TRP 203 CO 0.00 0.41 -1.28 0.41 -1.03 0.00 0.00 178.44 176.95 2kkz n GLY 204 N -0.86 -0.23 3.53 2.65 0.00 0.12 -4.93 105.19 105.46 2kkz n GLY 204 Ca -0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2kkz n GLY 204 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkz s SER 205 N -6.08 6.26 -0.44 1.61 0.01 -1.24 -4.96 113.70 108.85 2kkz s SER 205 Ca -0.16 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 56.84 2kkz s SER 205 Cb 0.05 -2.25 0.18 0.00 0.21 0.00 0.00 66.02 64.21 2kkz s SER 205 CO 0.21 -0.53 0.52 -0.44 0.41 0.00 0.00 173.24 173.41 2kkz s SER 206 N 1.81 0.04 -0.27 2.44 0.01 -1.26 -3.78 113.70 112.69 2kkz s SER 206 Ca 0.16 -2.07 -0.02 0.00 1.31 0.00 0.00 55.95 55.33 2kkz s SER 206 Cb -0.16 0.86 0.09 0.00 0.21 0.00 0.00 66.02 67.01 2kkz s SER 206 CO 0.14 -0.14 0.07 0.20 0.41 0.00 0.00 173.24 173.92 2kkz s ASN 207 N 0.80 3.63 -0.10 2.44 -0.87 -1.26 -5.12 114.94 114.45 2kkz s ASN 207 Ca 0.27 -1.33 -0.08 0.00 -1.57 0.00 0.00 52.86 50.15 2kkz s ASN 207 Cb -0.02 -0.74 0.03 0.00 -0.02 0.00 0.00 41.25 40.50 2kkz s ASN 207 CO -0.09 -0.38 0.27 -1.83 -2.57 0.00 0.00 177.10 172.50 2kkz s GLU 208 N 1.73 0.28 -0.42 -0.60 1.03 -1.26 -5.11 118.70 114.35 2kkz s GLU 208 Ca 0.06 0.44 0.03 0.00 0.03 0.00 0.00 54.97 55.52 2kkz s GLU 208 Cb -0.17 0.06 0.19 0.00 -0.80 0.00 0.00 34.13 33.41 2kkz s GLU 208 CO -0.20 -0.08 0.80 1.21 -1.33 0.00 0.00 175.26 175.66 2kkz s ASN 209 N 0.54 -1.12 -0.13 0.83 3.84 -1.26 -5.06 114.94 112.59 2kkz s ASN 209 Ca -0.03 -0.92 -0.20 0.00 0.21 0.00 0.00 52.86 51.92 2kkz s ASN 209 Cb -0.05 1.45 -0.18 0.00 -0.55 0.00 0.00 41.25 41.92 2kkz s ASN 209 CO -0.03 -0.08 0.53 1.23 -2.79 0.00 0.00 177.10 175.95 2kkz h GLY 210 N 5.66 -0.00 -3.72 1.21 0.00 -2.09 -3.51 103.07 100.62 2kkz h GLY 210 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2kkz h GLY 210 CO 0.01 -0.00 -0.76 0.54 0.00 0.00 0.00 176.54 176.33 2kkz n ARG 211 N -4.67 -4.37 -1.98 4.80 1.74 -1.26 -4.99 116.66 105.92 2kkz n ARG 211 Ca -0.07 3.21 -0.34 0.00 -0.77 0.00 0.00 57.85 59.89 2kkz n ARG 211 Cb 0.32 -3.45 0.03 0.00 -1.02 0.00 0.00 32.46 28.35 2kkz n ARG 211 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2kkz s PRO 212 N -1.11 3.03 -0.17 5.56 0.04 -1.26 -4.93 135.00 136.16 2kkz s PRO 212 Ca 0.00 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.27 2kkz s PRO 212 Cb 0.00 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 2kkz s PRO 212 CO 0.00 -1.10 2.11 -0.35 0.04 0.00 0.00 177.00 177.70 2kkz n PRO 213 N -1.87 2.01 -1.75 0.56 -0.04 -1.26 -4.88 135.00 127.76 2kkz n PRO 213 Ca 0.11 0.63 -0.38 0.00 -0.04 0.00 0.00 63.50 63.83 2kkz n PRO 213 Cb 0.51 -2.94 -0.03 0.00 -0.04 0.00 0.00 33.50 31.00 2kkz n PRO 213 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkz s LEU 214 N 6.61 3.38 0.36 1.53 1.43 -1.26 -4.95 118.68 125.79 2kkz s LEU 214 Ca 0.99 0.93 -0.26 0.00 -1.03 0.00 0.00 54.13 54.76 2kkz s LEU 214 Cb -0.52 -2.68 -0.09 0.00 0.03 0.00 0.00 46.19 42.93 2kkz s LEU 214 CO 0.42 -2.56 1.07 0.42 0.23 0.00 0.00 176.35 175.94 2kkz s THR 215 N 10.49 3.61 0.54 5.49 -4.23 -1.26 -5.07 115.64 125.21 2kkz s THR 215 Ca 0.87 1.35 0.05 0.00 -1.18 0.00 0.00 61.69 62.78 2kkz s THR 215 Cb -0.17 -3.76 0.05 0.00 1.34 0.00 0.00 72.50 69.96 2kkz s THR 215 CO 0.26 0.13 0.43 0.18 -0.54 0.00 0.00 174.62 175.08 2kkz n LEU 216 N 0.33 0.00 -0.01 4.79 4.77 -1.26 -5.31 117.00 120.30 2kkz n LEU 216 Ca 0.03 -2.77 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 2kkz n LEU 216 Cb 0.48 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2kkz n LEU 216 CO 0.48 -0.59 0.26 -0.62 -1.33 0.00 0.00 177.39 175.59