#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpu s PRO 2 N 0.00 3.05 0.04 1.61 0.04 -1.26 -3.51 135.00 134.96 1kpu s PRO 2 Ca 0.00 0.93 -0.06 0.00 0.04 0.00 0.00 61.00 61.91 1kpu s PRO 2 Cb 0.00 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1kpu s PRO 2 CO 0.00 -1.01 0.10 -1.01 0.04 0.00 0.00 177.00 175.12 1kpu s HIS 3 N -3.06 0.20 0.10 0.56 3.76 -0.41 -4.97 115.29 111.48 1kpu s HIS 3 Ca 0.58 -0.50 0.04 0.00 -0.15 0.00 0.00 55.06 55.03 1kpu s HIS 3 Cb -0.14 -0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.38 1kpu s HIS 3 CO 0.55 -0.37 -0.11 -1.54 -0.85 0.00 0.00 174.74 172.41 1kpu s SER 4 N -2.15 1.57 -0.13 1.40 1.04 -1.26 -0.76 113.70 113.40 1kpu s SER 4 Ca -0.05 -0.78 0.02 0.00 0.48 0.00 0.00 55.95 55.62 1kpu s SER 4 Cb -0.01 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.11 1kpu s SER 4 CO -0.05 -0.22 -0.18 -0.22 0.98 0.00 0.00 173.24 173.55 1kpu s LEU 5 N -2.34 1.91 0.01 2.42 2.96 -0.29 -0.89 118.68 122.46 1kpu s LEU 5 Ca 0.05 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1kpu s LEU 5 Cb -0.04 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 1kpu s LEU 5 CO 0.01 0.03 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.88 1kpu s ARG 6 N 1.03 0.44 -0.12 1.98 0.52 -0.22 -1.49 118.95 121.09 1kpu s ARG 6 Ca -0.04 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 54.85 1kpu s ARG 6 Cb -0.15 -0.36 0.01 0.00 0.52 0.00 0.00 34.95 34.97 1kpu s ARG 6 CO -0.04 0.09 -0.22 0.71 0.02 0.00 0.00 175.30 175.86 1kpu s TYR 7 N -0.50 2.52 -0.27 -0.53 2.02 0.09 -0.58 117.35 120.10 1kpu s TYR 7 Ca -0.02 -1.18 -0.09 0.00 -0.37 0.00 0.00 57.07 55.41 1kpu s TYR 7 Cb -0.04 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 1kpu s TYR 7 CO -0.00 -0.53 0.13 -0.06 -1.57 0.00 0.00 175.55 173.52 1kpu s PHE 8 N 0.68 3.15 -0.08 2.71 0.40 0.32 -1.91 117.98 123.25 1kpu s PHE 8 Ca -0.11 -0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.04 1kpu s PHE 8 Cb -0.16 -2.31 -0.01 0.00 0.51 0.00 0.00 43.02 41.05 1kpu s PHE 8 CO 0.02 -0.29 -0.22 0.08 0.70 0.00 0.00 175.22 175.50 1kpu s VAL 9 N 1.67 2.29 -0.02 -0.44 1.01 -0.03 -0.92 120.40 123.96 1kpu s VAL 9 Ca 0.06 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1kpu s VAL 9 Cb -0.16 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1kpu s VAL 9 CO 0.07 0.56 -0.04 -0.89 0.00 0.00 0.00 175.10 174.80 1kpu s THR 10 N -0.04 0.42 -0.08 3.92 2.01 -0.44 -0.94 115.64 120.49 1kpu s THR 10 Ca -0.07 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1kpu s THR 10 Cb -0.15 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 71.97 1kpu s THR 10 CO 0.05 0.16 -0.13 0.00 -0.69 0.00 0.00 174.62 174.01 1kpu s ALA 11 N 0.35 1.40 -0.11 7.40 0.00 -0.37 -1.15 121.76 129.28 1kpu s ALA 11 Ca -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1kpu s ALA 11 Cb -0.08 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.38 1kpu s ALA 11 CO -0.00 -0.01 -0.06 0.08 0.00 0.00 0.00 175.76 175.77 1kpu s VAL 12 N 0.89 0.91 0.62 0.00 1.01 0.07 -1.02 120.40 122.88 1kpu s VAL 12 Ca -0.10 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 1kpu s VAL 12 Cb -0.15 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1kpu s VAL 12 CO 0.01 0.30 1.03 -0.94 0.00 0.00 0.00 175.10 175.51 1kpu s SER 13 N 1.75 6.00 -0.45 3.32 1.04 -0.49 -1.23 113.70 123.64 1kpu s SER 13 Ca 0.04 1.56 0.06 0.00 0.48 0.00 0.00 55.95 58.09 1kpu s SER 13 Cb -0.13 -2.49 0.20 0.00 0.10 0.00 0.00 66.02 63.70 1kpu s SER 13 CO -0.08 -1.02 0.59 -2.11 0.98 0.00 0.00 173.24 171.60 1kpu n ARG 14 N -2.54 0.49 -1.68 4.02 1.85 -1.26 -4.18 116.66 113.35 1kpu n ARG 14 Ca 0.07 -2.58 -0.44 0.00 -1.00 0.00 0.00 57.85 53.90 1kpu n ARG 14 Cb 0.54 -1.49 -0.02 0.00 -1.05 0.00 0.00 32.46 30.44 1kpu n ARG 14 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1kpu n PRO 15 N 2.42 2.09 -0.08 2.89 -0.04 -1.26 -0.99 135.00 140.03 1kpu n PRO 15 Ca 0.21 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 1kpu n PRO 15 Cb 0.54 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1kpu n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kpu n GLY 16 N 1.70 1.75 0.79 0.55 0.00 -1.26 -4.84 105.19 103.88 1kpu n GLY 16 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.17 1kpu n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kpu n LEU 17 N 0.00 1.87 0.00 0.99 4.77 -0.16 -5.12 117.00 119.36 1kpu n LEU 17 Ca 0.00 -2.93 0.00 0.00 -0.03 0.00 0.00 56.01 53.05 1kpu n LEU 17 Cb 0.00 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1kpu n LEU 17 CO 0.00 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1kpu n GLY 18 N -0.56 -1.40 3.79 -0.72 0.00 -1.24 -4.98 105.19 100.08 1kpu n GLY 18 Ca 0.13 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 1kpu n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kpu s GLU 19 N 0.00 2.87 0.77 1.61 0.41 -1.26 -4.56 118.70 118.53 1kpu s GLU 19 Ca 0.00 1.16 -0.14 0.00 -0.41 0.00 0.00 54.97 55.57 1kpu s GLU 19 Cb 0.00 -1.97 0.06 0.00 -1.78 0.00 0.00 34.13 30.44 1kpu s GLU 19 CO 0.00 -1.17 1.22 -2.14 -0.49 0.00 0.00 175.26 172.68 1kpu s PRO 20 N -4.55 1.88 0.08 0.39 0.02 -1.26 -4.69 135.00 126.86 1kpu s PRO 20 Ca 0.62 1.80 -0.24 0.00 0.02 0.00 0.00 61.00 63.20 1kpu s PRO 20 Cb -0.16 -1.80 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 1kpu s PRO 20 CO 0.47 -2.05 0.75 0.50 -0.33 0.00 0.00 177.00 176.35 1kpu s ARG 21 N -3.98 4.49 -0.07 5.54 3.52 -0.36 -4.88 118.95 123.20 1kpu s ARG 21 Ca 0.75 1.06 0.01 0.00 -0.13 0.00 0.00 55.73 57.41 1kpu s ARG 21 Cb -0.30 -3.32 0.02 0.00 -1.56 0.00 0.00 34.95 29.79 1kpu s ARG 21 CO 0.48 0.41 -0.08 -0.47 -0.81 0.00 0.00 175.30 174.83 1kpu s TYR 22 N -0.50 1.20 0.01 5.12 5.04 -1.26 -0.75 117.35 126.21 1kpu s TYR 22 Ca 0.37 -0.46 0.01 0.00 -2.44 0.00 0.00 57.07 54.54 1kpu s TYR 22 Cb -0.21 -0.97 -0.01 0.00 0.35 0.00 0.00 41.96 41.12 1kpu s TYR 22 CO 0.23 -0.31 -0.04 -1.64 -1.34 0.00 0.00 175.55 172.45 1kpu s MET 23 N 1.08 0.33 -0.05 4.97 -1.94 -0.30 -1.14 119.30 122.24 1kpu s MET 23 Ca -0.08 -0.32 0.03 0.00 -1.71 0.00 0.00 55.69 53.62 1kpu s MET 23 Cb -0.14 -0.21 0.01 0.00 2.01 0.00 0.00 34.83 36.49 1kpu s MET 23 CO -0.01 0.05 -0.13 -1.21 -0.01 0.00 0.00 175.02 173.72 1kpu s GLU 24 N -0.58 1.50 -0.07 2.03 2.02 -0.03 -1.33 118.70 122.25 1kpu s GLU 24 Ca -0.03 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 54.53 1kpu s GLU 24 Cb -0.04 -1.30 0.02 0.00 0.10 0.00 0.00 34.13 32.91 1kpu s GLU 24 CO -0.00 0.11 -0.08 0.08 0.02 0.00 0.00 175.26 175.39 1kpu s VAL 25 N 0.35 0.87 -0.06 2.63 1.01 -0.10 -0.73 120.40 124.36 1kpu s VAL 25 Ca -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1kpu s VAL 25 Cb -0.12 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1kpu s VAL 25 CO 0.02 0.31 0.03 -0.83 0.00 0.00 0.00 175.10 174.64 1kpu s GLY 26 N 1.08 1.92 -0.01 4.51 0.00 -0.51 -0.52 107.32 113.79 1kpu s GLY 26 Ca -0.08 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 43.87 1kpu s GLY 26 CO -0.01 -0.62 -0.13 -0.19 0.00 0.00 0.00 173.10 172.16 1kpu s TYR 27 N -0.99 1.19 -0.26 1.90 1.51 0.25 -1.15 117.35 119.81 1kpu s TYR 27 Ca 0.16 -0.24 -0.08 0.00 -1.01 0.00 0.00 57.07 55.91 1kpu s TYR 27 Cb -0.12 -0.77 -0.03 0.00 -0.11 0.00 0.00 41.96 40.93 1kpu s TYR 27 CO 0.06 -0.03 0.08 0.08 -1.11 0.00 0.00 175.55 174.63 1kpu s VAL 28 N -0.26 4.35 0.00 0.71 1.01 -0.65 -1.05 120.40 124.51 1kpu s VAL 28 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1kpu s VAL 28 Cb -0.06 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1kpu s VAL 28 CO -0.00 0.31 0.00 0.47 0.00 0.00 0.00 175.10 175.88 1kpu n ASP 29 N 4.93 0.00 -0.89 3.32 8.00 -0.07 -1.09 116.55 130.75 1kpu n ASP 29 Ca -0.16 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.43 1kpu n ASP 29 Cb 0.51 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.87 1kpu n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1kpu n ASP 30 N 5.10 2.61 -4.37 -2.24 8.00 -1.26 -4.90 116.55 119.48 1kpu n ASP 30 Ca 0.00 -1.93 -0.37 0.00 0.71 0.00 0.00 54.79 53.20 1kpu n ASP 30 Cb 0.00 -0.27 -0.13 0.00 -0.02 0.00 0.00 41.12 40.70 1kpu n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1kpu s THR 31 N -1.46 4.02 0.22 -3.53 2.01 -0.25 -5.04 115.64 111.61 1kpu s THR 31 Ca 0.34 -0.49 -0.31 0.00 0.31 0.00 0.00 61.69 61.55 1kpu s THR 31 Cb 0.19 -2.98 -0.10 0.00 0.01 0.00 0.00 72.50 69.62 1kpu s THR 31 CO 0.25 0.21 1.49 -0.70 -0.69 0.00 0.00 174.62 175.18 1kpu s GLU 32 N 1.54 4.24 0.00 4.92 2.12 -1.26 -1.64 118.70 128.62 1kpu s GLU 32 Ca 0.04 2.34 0.00 0.00 0.36 0.00 0.00 54.97 57.71 1kpu s GLU 32 Cb -0.16 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.11 1kpu s GLU 32 CO 0.02 -0.50 0.00 1.97 -0.54 0.00 0.00 175.26 176.22 1kpu n PHE 33 N 2.87 0.00 -3.82 5.30 -1.74 -0.30 -3.98 117.46 115.79 1kpu n PHE 33 Ca 0.09 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.88 1kpu n PHE 33 Cb 0.39 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.32 1kpu n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1kpu s VAL 34 N -1.00 0.11 -0.09 1.97 -7.23 -1.22 -0.48 120.40 112.46 1kpu s VAL 34 Ca 0.00 -0.90 -0.22 0.00 -1.81 0.00 0.00 61.98 59.05 1kpu s VAL 34 Cb 0.00 -1.03 0.05 0.00 0.56 0.00 0.00 36.38 35.96 1kpu s VAL 34 CO 0.00 -0.50 0.53 0.00 -0.31 0.00 0.00 175.10 174.82 1kpu s ARG 35 N -2.93 0.81 -0.05 4.82 1.70 -0.63 -1.43 118.95 121.24 1kpu s ARG 35 Ca -0.02 0.29 0.02 0.00 -0.47 0.00 0.00 55.73 55.55 1kpu s ARG 35 Cb 0.01 0.38 0.01 0.00 -0.57 0.00 0.00 34.95 34.78 1kpu s ARG 35 CO -0.06 -0.20 -0.11 0.12 -1.08 0.00 0.00 175.30 173.97 1kpu s PHE 36 N -0.75 1.27 -0.11 5.89 5.36 0.09 -1.00 117.98 128.73 1kpu s PHE 36 Ca -0.08 -0.43 -0.02 0.00 -0.96 0.00 0.00 56.93 55.44 1kpu s PHE 36 Cb -0.03 -0.95 0.04 0.00 -0.34 0.00 0.00 43.02 41.75 1kpu s PHE 36 CO 0.05 -0.23 0.02 0.34 -1.46 0.00 0.00 175.22 173.94 1kpu s ASP 37 N 0.61 2.02 0.63 6.13 -1.08 -1.26 -0.85 116.67 122.86 1kpu s ASP 37 Ca -0.12 -0.34 0.40 0.00 -0.52 0.00 0.00 52.55 51.97 1kpu s ASP 37 Cb -0.14 -0.46 2.08 0.00 -1.46 0.00 0.00 42.92 42.94 1kpu s ASP 37 CO 0.03 -0.24 2.26 0.77 0.52 0.00 0.00 175.17 178.51 1kpu h SER 38 N 8.31 0.00 0.10 -0.34 4.64 -1.53 -2.60 113.55 122.13 1kpu h SER 38 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1kpu h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1kpu h SER 38 CO 0.28 0.01 -0.04 0.47 -0.87 0.00 0.00 176.83 176.68 1kpu n ASP 39 N -3.20 0.76 -4.78 4.97 9.92 -1.26 -4.77 116.55 118.19 1kpu n ASP 39 Ca -0.02 -1.08 -0.31 0.00 -0.53 0.00 0.00 54.79 52.84 1kpu n ASP 39 Cb 0.13 -0.01 0.07 0.00 -0.64 0.00 0.00 41.12 40.68 1kpu n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kpu s ALA 40 N -2.14 2.40 0.10 2.24 0.00 -0.98 -4.95 121.76 118.42 1kpu s ALA 40 Ca 0.38 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.33 1kpu s ALA 40 Cb 0.21 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 19.96 1kpu s ALA 40 CO 0.39 -1.54 1.62 0.93 0.00 0.00 0.00 175.76 177.17 1kpu h GLU 41 N -0.78 -0.59 -3.18 0.00 3.07 -1.90 -3.32 114.58 107.88 1kpu h GLU 41 Ca -0.44 0.04 -0.64 0.00 -0.50 0.00 0.00 59.36 57.82 1kpu h GLU 41 Cb 1.23 0.13 -0.40 0.00 -0.84 0.00 0.00 28.75 28.87 1kpu h GLU 41 CO 0.53 -0.39 -0.47 -0.80 -1.40 0.00 0.00 179.01 176.48 1kpu s ASN 42 N -4.70 5.04 -0.11 1.42 0.01 -1.26 -5.08 114.94 110.26 1kpu s ASN 42 Ca -0.16 -3.72 -0.35 0.00 -0.71 0.00 0.00 52.86 47.91 1kpu s ASN 42 Cb 0.07 -1.70 -0.13 0.00 0.41 0.00 0.00 41.25 39.90 1kpu s ASN 42 CO 0.64 -0.13 1.84 -2.65 -1.51 0.00 0.00 177.10 175.30 1kpu n PRO 43 N 2.19 1.98 -3.79 -0.60 -0.02 -1.25 -4.97 135.00 128.55 1kpu n PRO 43 Ca 0.18 0.73 -0.10 0.00 -2.02 0.00 0.00 63.50 62.29 1kpu n PRO 43 Cb 0.35 -2.54 -0.07 0.00 -0.02 0.00 0.00 33.50 31.22 1kpu n PRO 43 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1kpu s ARG 44 N 3.85 0.83 0.22 -0.52 0.52 -1.26 -5.04 118.95 117.55 1kpu s ARG 44 Ca 0.93 -0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 55.12 1kpu s ARG 44 Cb -0.76 0.35 -0.09 0.00 0.52 0.00 0.00 34.95 34.97 1kpu s ARG 44 CO 0.54 -0.27 1.24 -0.47 0.02 0.00 0.00 175.30 176.36 1kpu s TYR 45 N -3.21 3.33 0.03 -0.53 6.14 -1.26 -4.53 117.35 117.31 1kpu s TYR 45 Ca -0.00 1.38 0.04 0.00 0.64 0.00 0.00 57.07 59.13 1kpu s TYR 45 Cb 0.02 -3.51 -0.02 0.00 0.42 0.00 0.00 41.96 38.87 1kpu s TYR 45 CO -0.07 -1.46 -0.11 -1.21 0.64 0.00 0.00 175.55 173.34 1kpu s GLU 46 N -0.55 0.75 0.40 4.97 2.02 -0.17 -4.91 118.70 121.22 1kpu s GLU 46 Ca 0.53 -0.61 -0.25 0.00 0.02 0.00 0.00 54.97 54.65 1kpu s GLU 46 Cb -0.35 -0.70 -0.08 0.00 0.10 0.00 0.00 34.13 33.10 1kpu s GLU 46 CO 0.40 0.17 1.17 -1.25 0.02 0.00 0.00 175.26 175.77 1kpu s PRO 47 N -0.95 4.03 0.00 0.39 0.04 -1.26 -1.60 135.00 135.65 1kpu s PRO 47 Ca -0.00 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1kpu s PRO 47 Cb -0.07 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.81 1kpu s PRO 47 CO 0.01 -0.34 0.20 0.54 0.04 0.00 0.00 177.00 177.45 1kpu n ARG 48 N 0.04 2.37 -4.51 4.56 5.12 0.36 -4.86 116.66 119.74 1kpu n ARG 48 Ca 0.04 -0.20 -0.24 0.00 -1.93 0.00 0.00 57.85 55.53 1kpu n ARG 48 Cb 0.46 -0.65 -0.14 0.00 -1.16 0.00 0.00 32.46 30.98 1kpu n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1kpu s ALA 49 N -0.40 1.57 0.30 7.54 0.00 -1.21 -4.68 121.76 124.88 1kpu s ALA 49 Ca 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 1kpu s ALA 49 Cb 0.00 -0.28 0.46 0.00 0.00 0.00 0.00 23.12 23.30 1kpu s ALA 49 CO 0.00 0.33 1.95 -0.09 0.00 0.00 0.00 175.76 177.95 1kpu h ARG 50 N 4.80 1.07 0.00 0.00 9.65 -1.94 -2.24 114.38 125.72 1kpu h ARG 50 Ca -0.41 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 1kpu h ARG 50 Cb 1.17 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.51 1kpu h ARG 50 CO 0.43 0.71 0.00 0.11 2.80 0.00 0.00 179.97 184.02 1kpu h TRP 51 N 1.10 0.00 0.00 2.20 5.08 -1.97 -1.72 115.95 120.65 1kpu h TRP 51 Ca 0.33 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.30 1kpu h TRP 51 Cb -0.03 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.13 1kpu h TRP 51 CO -0.00 0.00 0.00 -1.33 -1.28 0.00 0.00 178.44 175.83 1kpu n MET 52 N -2.43 0.29 0.21 0.12 2.81 -0.84 -1.86 117.12 115.42 1kpu n MET 52 Ca -0.00 0.10 0.15 0.00 -1.81 0.00 0.00 57.70 56.13 1kpu n MET 52 Cb 0.14 -1.50 0.74 0.00 -0.71 0.00 0.00 33.22 31.89 1kpu n MET 52 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1kpu h GLU 53 N 0.00 0.00 0.00 0.03 4.11 -1.50 -2.63 114.58 114.60 1kpu h GLU 53 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1kpu h GLU 53 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1kpu h GLU 53 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.12 1kpu n GLN 54 N -2.51 0.05 -3.18 1.06 6.02 -0.78 -4.77 117.38 113.26 1kpu n GLN 54 Ca -0.01 0.05 -0.33 0.00 -0.01 0.00 0.00 57.00 56.70 1kpu n GLN 54 Cb 0.09 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.79 1kpu n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1kpu s GLU 55 N -2.95 3.98 0.83 -1.09 0.41 -0.99 -5.08 118.70 113.81 1kpu s GLU 55 Ca 0.14 0.62 -0.08 0.00 -0.41 0.00 0.00 54.97 55.23 1kpu s GLU 55 Cb 0.17 -2.50 0.15 0.00 -1.78 0.00 0.00 34.13 30.18 1kpu s GLU 55 CO 0.47 0.20 1.15 0.20 -0.49 0.00 0.00 175.26 176.79 1kpu s GLY 56 N -2.24 1.76 0.52 -1.39 0.00 -1.26 -4.95 107.32 99.75 1kpu s GLY 56 Ca 0.52 -1.40 0.23 0.00 0.00 0.00 0.00 44.72 44.07 1kpu s GLY 56 CO 0.18 -0.76 2.10 -0.56 0.00 0.00 0.00 173.10 174.07 1kpu h PRO 57 N -1.05 0.00 -0.38 2.90 0.13 -1.98 -2.13 132.00 129.48 1kpu h PRO 57 Ca -0.41 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 1kpu h PRO 57 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1kpu h PRO 57 CO 0.41 0.10 0.01 0.93 -0.23 0.00 0.00 178.00 179.22 1kpu h GLU 58 N 0.00 0.59 -0.07 0.86 5.08 -1.99 -2.17 114.58 116.88 1kpu h GLU 58 Ca -0.00 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1kpu h GLU 58 Cb 0.21 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1kpu h GLU 58 CO 0.01 0.60 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.62 1kpu h TYR 59 N 0.57 -0.22 -0.74 4.33 5.03 -1.75 -0.56 116.97 123.63 1kpu h TYR 59 Ca 0.12 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.39 1kpu h TYR 59 Cb 0.34 0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.70 1kpu h TYR 59 CO 0.01 -0.14 0.26 -1.49 -1.32 0.00 0.00 178.16 175.48 1kpu h TRP 60 N -0.12 1.16 -0.23 -3.82 4.06 -1.56 -0.09 115.95 115.35 1kpu h TRP 60 Ca 0.06 -0.11 -0.02 0.00 2.06 0.00 0.00 58.89 60.89 1kpu h TRP 60 Cb 0.20 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 28.01 1kpu h TRP 60 CO -0.19 0.91 0.08 1.49 -3.56 0.00 0.00 178.44 177.17 1kpu h GLU 61 N 1.08 0.35 -0.42 0.49 4.57 -1.16 -1.24 114.58 118.25 1kpu h GLU 61 Ca 0.24 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.29 1kpu h GLU 61 Cb 0.27 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1kpu h GLU 61 CO -0.01 0.43 0.02 0.00 -1.18 0.00 0.00 179.01 178.26 1kpu h ARG 62 N 0.20 0.73 -0.32 1.92 3.08 -0.90 -1.44 114.38 117.66 1kpu h ARG 62 Ca 0.07 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 1kpu h ARG 62 Cb 0.22 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1kpu h ARG 62 CO -0.00 0.80 -0.19 0.93 -1.07 0.00 0.00 179.97 180.44 1kpu h GLU 63 N 0.56 0.58 -0.18 0.04 4.39 -1.00 -1.70 114.58 117.27 1kpu h GLU 63 Ca 0.12 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1kpu h GLU 63 Cb 0.46 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1kpu h GLU 63 CO 0.02 0.74 0.09 1.15 -1.16 0.00 0.00 179.01 179.85 1kpu h THR 64 N 0.52 1.12 -0.82 1.13 2.02 -1.02 -0.68 112.91 115.19 1kpu h THR 64 Ca 0.08 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.94 1kpu h THR 64 Cb 0.62 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1kpu h THR 64 CO 0.04 0.11 0.54 1.56 0.37 0.00 0.00 175.52 178.15 1kpu h GLN 65 N 0.17 1.07 -0.45 6.66 1.08 -1.05 -0.03 115.11 122.57 1kpu h GLN 65 Ca 0.06 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1kpu h GLN 65 Cb 0.10 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.27 1kpu h GLN 65 CO -0.01 0.71 0.23 -0.22 -0.95 0.00 0.00 178.83 178.59 1kpu h LYS 66 N 1.10 0.64 -0.85 1.46 3.64 -1.14 -1.78 116.57 119.65 1kpu h LYS 66 Ca 0.30 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1kpu h LYS 66 Cb -0.12 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.54 1kpu h LYS 66 CO -0.07 0.54 0.45 0.00 -2.27 0.00 0.00 179.45 178.10 1kpu h ALA 67 N 1.07 1.09 -0.43 5.00 0.00 -0.67 0.28 119.26 125.60 1kpu h ALA 67 Ca 0.16 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1kpu h ALA 67 Cb 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1kpu h ALA 67 CO -0.02 0.62 -0.04 0.87 0.00 0.00 0.00 179.25 180.67 1kpu h LYS 68 N 1.19 0.72 -0.34 0.00 1.57 -0.73 0.02 116.57 119.00 1kpu h LYS 68 Ca 0.30 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1kpu h LYS 68 Cb 0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1kpu h LYS 68 CO -0.04 0.77 -0.13 0.78 -0.57 0.00 0.00 179.45 180.25 1kpu h GLY 69 N 0.96 0.76 0.90 3.86 0.00 -0.87 -2.44 103.07 106.24 1kpu h GLY 69 Ca 0.13 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.82 1kpu h GLY 69 CO 0.02 0.60 0.38 3.43 0.00 0.00 0.00 176.54 180.98 1kpu h ASN 70 N 0.48 0.64 -0.50 0.19 2.35 -0.65 -1.39 115.58 116.69 1kpu h ASN 70 Ca 0.08 -0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.90 1kpu h ASN 70 Cb 0.66 -0.14 -0.06 0.00 0.05 0.00 0.00 38.32 38.82 1kpu h ASN 70 CO 0.04 0.45 0.15 -0.08 -1.65 0.00 0.00 177.43 176.34 1kpu h GLU 71 N 0.76 0.30 -0.67 0.81 4.81 -0.83 -0.13 114.58 119.64 1kpu h GLU 71 Ca 0.24 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1kpu h GLU 71 Cb -0.00 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1kpu h GLU 71 CO -0.09 0.20 0.20 1.96 -0.73 0.00 0.00 179.01 180.55 1kpu h GLN 72 N 0.31 1.05 -0.62 1.92 1.08 -1.05 -1.83 115.11 115.98 1kpu h GLN 72 Ca 0.25 -0.23 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1kpu h GLN 72 Cb 0.29 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1kpu h GLN 72 CO -0.28 0.92 0.40 1.03 -0.95 0.00 0.00 178.83 179.95 1kpu h SER 73 N 0.98 0.69 0.62 1.46 0.87 -0.63 -2.38 113.55 115.17 1kpu h SER 73 Ca 0.22 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 1kpu h SER 73 Cb 0.31 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1kpu h SER 73 CO -0.00 0.49 -0.50 -0.26 -0.53 0.00 0.00 176.83 176.03 1kpu h PHE 74 N 0.82 0.00 -0.47 2.24 -1.00 -0.88 -0.19 116.94 117.47 1kpu h PHE 74 Ca 0.23 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.97 1kpu h PHE 74 Cb -0.07 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 1kpu h PHE 74 CO -0.04 0.50 0.14 -0.09 -1.61 0.00 0.00 178.31 177.22 1kpu h ARG 75 N 0.00 0.72 -0.53 1.51 2.43 -0.97 -0.68 114.38 116.86 1kpu h ARG 75 Ca -0.01 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 58.98 1kpu h ARG 75 Cb 0.95 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1kpu h ARG 75 CO 0.07 0.69 0.23 0.28 -1.51 0.00 0.00 179.97 179.73 1kpu h VAL 76 N 0.62 1.21 -0.86 0.20 2.07 -1.10 -2.99 116.25 115.39 1kpu h VAL 76 Ca 0.15 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1kpu h VAL 76 Cb 0.27 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1kpu h VAL 76 CO -0.00 0.24 0.55 0.44 0.02 0.00 0.00 177.57 178.82 1kpu h ASP 77 N 0.71 0.92 -0.83 0.57 3.32 -0.66 0.11 116.42 120.56 1kpu h ASP 77 Ca 0.18 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.27 1kpu h ASP 77 Cb 0.16 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.45 1kpu h ASP 77 CO -0.02 0.64 0.52 -0.07 -1.72 0.00 0.00 179.24 178.59 1kpu h LEU 78 N 1.08 0.84 -0.36 1.55 3.38 -1.01 0.04 115.31 120.82 1kpu h LEU 78 Ca 0.34 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.24 1kpu h LEU 78 Cb -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1kpu h LEU 78 CO -0.11 0.56 -0.06 -0.09 0.09 0.00 0.00 178.44 178.83 1kpu h ARG 79 N 0.98 0.68 -0.52 1.13 2.43 -1.13 -2.58 114.38 115.36 1kpu h ARG 79 Ca 0.34 -0.25 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1kpu h ARG 79 Cb 0.09 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 1kpu h ARG 79 CO -0.14 0.82 0.27 1.15 -1.51 0.00 0.00 179.97 180.56 1kpu h THR 80 N 0.48 0.98 -0.08 0.20 2.02 -0.30 -2.45 112.91 113.76 1kpu h THR 80 Ca 0.09 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 1kpu h THR 80 Cb 0.55 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1kpu h THR 80 CO 0.03 0.10 -0.31 -0.07 0.37 0.00 0.00 175.52 175.64 1kpu h LEU 81 N 0.53 0.14 -1.11 2.58 4.07 -0.92 -1.16 115.31 119.44 1kpu h LEU 81 Ca 0.22 -0.05 0.08 0.00 0.08 0.00 0.00 57.88 58.21 1kpu h LEU 81 Cb 0.11 -0.04 -0.06 0.00 1.08 0.00 0.00 40.66 41.75 1kpu h LEU 81 CO -0.15 0.45 0.60 -0.07 -1.08 0.00 0.00 178.44 178.20 1kpu h LEU 82 N 0.13 0.92 -0.04 1.67 3.38 -1.03 -0.88 115.31 119.46 1kpu h LEU 82 Ca 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1kpu h LEU 82 Cb 0.61 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1kpu h LEU 82 CO 0.04 0.57 -0.02 1.23 0.09 0.00 0.00 178.44 180.36 1kpu h GLY 83 N 1.04 0.09 0.74 0.83 0.00 -1.10 0.33 103.07 105.00 1kpu h GLY 83 Ca 0.41 -0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.73 1kpu h GLY 83 CO -0.17 0.07 0.64 -0.97 0.00 0.00 0.00 176.54 176.12 1kpu h TYR 84 N -0.31 1.20 -0.11 5.60 0.05 -0.84 -2.75 116.97 119.81 1kpu h TYR 84 Ca 0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1kpu h TYR 84 Cb 0.45 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 37.79 1kpu h TYR 84 CO 0.07 0.62 0.00 0.66 -1.05 0.00 0.00 178.16 178.46 1kpu n TYR 85 N -4.51 0.11 -3.57 4.88 4.01 -0.37 -4.86 117.16 112.85 1kpu n TYR 85 Ca 0.15 -0.06 -0.21 0.00 -0.16 0.00 0.00 57.90 57.63 1kpu n TYR 85 Cb 0.18 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.26 1kpu n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1kpu n ASN 86 N 1.01 -2.60 -4.75 7.72 5.15 -0.39 -5.01 115.26 116.39 1kpu n ASN 86 Ca 0.16 -0.78 -0.24 0.00 -0.60 0.00 0.00 54.58 53.12 1kpu n ASN 86 Cb 0.52 -4.39 -0.06 0.00 -0.53 0.00 0.00 39.78 35.32 1kpu n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1kpu s GLN 87 N -5.61 2.67 0.76 1.20 -0.21 -0.03 -5.04 119.66 113.40 1kpu s GLN 87 Ca 0.12 -1.12 -0.11 0.00 0.02 0.00 0.00 55.36 54.27 1kpu s GLN 87 Cb -0.03 -2.44 0.05 0.00 1.00 0.00 0.00 33.01 31.59 1kpu s GLN 87 CO 0.79 0.42 1.08 0.45 -2.12 0.00 0.00 175.29 175.91 1kpu s SER 88 N -3.49 4.81 0.00 5.90 0.15 -1.26 -4.76 113.70 115.05 1kpu s SER 88 Ca 0.31 1.45 0.28 0.00 0.70 0.00 0.00 55.95 58.69 1kpu s SER 88 Cb -0.08 -2.24 1.39 0.00 -1.71 0.00 0.00 66.02 63.38 1kpu s SER 88 CO 0.22 -1.78 1.93 0.29 1.20 0.00 0.00 173.24 175.09 1kpu n LYS 89 N -3.33 1.32 0.00 5.44 5.02 -1.26 -4.03 118.16 121.32 1kpu n LYS 89 Ca 0.07 -0.46 0.11 0.00 -2.02 0.00 0.00 58.31 56.01 1kpu n LYS 89 Cb 0.55 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 34.07 1kpu n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kpu n GLY 90 N 1.05 -1.08 3.89 0.72 0.00 -1.26 -4.73 105.19 103.79 1kpu n GLY 90 Ca 0.20 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 1kpu n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kpu s GLY 91 N -3.22 2.11 0.23 -0.02 0.00 -1.26 -4.71 107.32 100.46 1kpu s GLY 91 Ca 0.07 -0.89 -0.29 0.00 0.00 0.00 0.00 44.72 43.61 1kpu s GLY 91 CO 0.83 -0.88 0.90 -0.45 0.00 0.00 0.00 173.10 173.51 1kpu s SER 92 N -2.55 7.57 0.09 1.64 0.15 -1.26 -4.73 113.70 114.61 1kpu s SER 92 Ca 0.34 1.87 0.00 0.00 0.70 0.00 0.00 55.95 58.86 1kpu s SER 92 Cb -0.13 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 1kpu s SER 92 CO 0.27 0.16 -0.04 -1.00 1.20 0.00 0.00 173.24 173.83 1kpu s HIS 93 N -1.19 0.76 -0.03 3.44 3.76 -1.26 -4.96 115.29 115.80 1kpu s HIS 93 Ca 0.40 -1.01 0.03 0.00 -0.15 0.00 0.00 55.06 54.33 1kpu s HIS 93 Cb -0.25 -0.47 0.00 0.00 1.11 0.00 0.00 32.58 32.97 1kpu s HIS 93 CO 0.30 -0.28 -0.10 0.99 -0.85 0.00 0.00 174.74 174.80 1kpu s THR 94 N -3.78 0.90 -0.11 1.30 2.01 -1.26 -1.39 115.64 113.29 1kpu s THR 94 Ca 0.12 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 1kpu s THR 94 Cb 0.07 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 1kpu s THR 94 CO -0.06 0.28 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.43 1kpu s ILE 95 N 0.17 3.45 0.01 1.82 1.01 -0.19 -0.98 121.20 126.50 1kpu s ILE 95 Ca -0.03 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.15 1kpu s ILE 95 Cb -0.09 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1kpu s ILE 95 CO 0.01 0.54 -0.20 -1.10 0.00 0.00 0.00 174.94 174.19 1kpu s GLN 96 N -0.03 1.47 -0.01 2.79 -0.21 -0.52 -1.24 119.66 121.90 1kpu s GLN 96 Ca -0.01 -0.79 0.02 0.00 0.02 0.00 0.00 55.36 54.60 1kpu s GLN 96 Cb -0.14 -1.48 0.00 0.00 1.00 0.00 0.00 33.01 32.39 1kpu s GLN 96 CO 0.03 0.39 -0.05 0.08 -2.12 0.00 0.00 175.29 173.63 1kpu s VAL 97 N -0.60 0.44 -0.12 1.09 1.01 -0.11 -0.74 120.40 121.36 1kpu s VAL 97 Ca 0.07 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1kpu s VAL 97 Cb -0.08 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1kpu s VAL 97 CO 0.00 0.14 -0.22 -0.51 0.00 0.00 0.00 175.10 174.51 1kpu s ILE 98 N 0.07 2.14 0.02 2.22 1.10 -0.30 -0.85 121.20 125.62 1kpu s ILE 98 Ca -0.00 -0.97 0.02 0.00 -0.51 0.00 0.00 60.65 59.19 1kpu s ILE 98 Cb -0.04 -1.84 -0.02 0.00 0.15 0.00 0.00 42.46 40.71 1kpu s ILE 98 CO -0.00 0.55 -0.08 -0.44 -2.11 0.00 0.00 174.94 172.86 1kpu s SER 99 N 0.56 0.90 0.00 4.50 0.01 -0.80 -0.98 113.70 117.88 1kpu s SER 99 Ca -0.13 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1kpu s SER 99 Cb -0.17 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1kpu s SER 99 CO 0.04 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1kpu n GLY 100 N 2.09 -1.58 3.18 3.44 0.00 -0.63 -0.73 105.19 110.95 1kpu n GLY 100 Ca -0.18 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 1kpu n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kpu s GLU 102 N -2.88 1.54 0.20 0.00 2.02 -0.11 -1.14 118.70 118.34 1kpu s GLU 102 Ca -0.03 -0.63 0.11 0.00 0.02 0.00 0.00 54.97 54.45 1kpu s GLU 102 Cb 0.00 -1.44 -0.04 0.00 0.10 0.00 0.00 34.13 32.75 1kpu s GLU 102 CO -0.06 0.34 -0.22 0.14 0.02 0.00 0.00 175.26 175.49 1kpu s VAL 103 N -0.27 2.25 0.72 2.63 -7.23 0.06 -0.08 120.40 118.47 1kpu s VAL 103 Ca 0.04 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 57.99 1kpu s VAL 103 Cb -0.08 -2.10 0.17 0.00 0.56 0.00 0.00 36.38 34.93 1kpu s VAL 103 CO 0.00 -0.23 0.92 0.61 -0.31 0.00 0.00 175.10 176.09 1kpu n GLY 104 N 0.07 -1.59 0.29 2.32 0.00 -0.23 -1.28 105.19 104.78 1kpu n GLY 104 Ca -0.11 -1.67 0.14 0.00 0.00 0.00 0.00 46.02 44.39 1kpu n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kpu h SER 105 N -1.38 0.00 -0.17 1.61 0.02 -1.90 -0.80 113.55 110.93 1kpu h SER 105 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1kpu h SER 105 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1kpu h SER 105 CO 0.21 0.01 0.00 -0.90 -1.14 0.00 0.00 176.83 175.01 1kpu n ASP 106 N -3.89 1.68 0.00 3.07 5.68 -1.26 -4.91 116.55 116.92 1kpu n ASP 106 Ca -0.03 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 1kpu n ASP 106 Cb 0.09 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1kpu n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kpu n GLY 107 N 1.13 0.63 3.89 6.12 0.00 -0.31 -5.03 105.19 111.62 1kpu n GLY 107 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1kpu n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kpu s ARG 108 N -0.06 3.68 0.20 1.61 0.52 -1.26 -4.78 118.95 118.86 1kpu s ARG 108 Ca 0.00 0.03 -0.32 0.00 -0.52 0.00 0.00 55.73 54.92 1kpu s ARG 108 Cb 0.00 -2.84 -0.12 0.00 0.52 0.00 0.00 34.95 32.51 1kpu s ARG 108 CO 0.00 0.46 1.68 -0.11 0.02 0.00 0.00 175.30 177.34 1kpu n LEU 109 N 0.20 3.79 -0.12 2.53 7.94 -1.26 -1.06 117.00 129.02 1kpu n LEU 109 Ca -0.03 1.07 -0.18 0.00 -1.11 0.00 0.00 56.01 55.77 1kpu n LEU 109 Cb 0.52 -1.54 -0.10 0.00 0.53 0.00 0.00 43.42 42.83 1kpu n LEU 109 CO 0.47 0.06 -1.26 0.18 -1.11 0.00 0.00 177.39 175.73 1kpu n LEU 110 N 3.70 2.75 -3.51 -1.96 4.77 0.88 -4.84 117.00 118.80 1kpu n LEU 110 Ca 0.16 -0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1kpu n LEU 110 Cb 0.33 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 1kpu n LEU 110 CO 0.64 0.82 0.60 0.00 -1.33 0.00 0.00 177.39 178.12 1kpu s ARG 111 N -2.45 0.91 0.13 3.23 1.70 -1.10 -5.00 118.95 116.36 1kpu s ARG 111 Ca -0.31 -0.14 0.04 0.00 -0.47 0.00 0.00 55.73 54.85 1kpu s ARG 111 Cb 0.09 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.85 1kpu s ARG 111 CO 0.51 -0.36 -0.10 0.20 -1.08 0.00 0.00 175.30 174.47 1kpu s GLY 112 N -2.01 1.01 0.08 3.88 0.00 -1.26 -0.93 107.32 108.08 1kpu s GLY 112 Ca -0.00 -1.39 -0.23 0.00 0.00 0.00 0.00 44.72 43.10 1kpu s GLY 112 CO -0.04 -1.48 0.54 -2.52 0.00 0.00 0.00 173.10 169.60 1kpu s TYR 113 N -2.97 -0.45 -0.26 1.90 -0.85 -0.40 -4.88 117.35 109.43 1kpu s TYR 113 Ca 0.13 0.42 -0.07 0.00 -0.52 0.00 0.00 57.07 57.04 1kpu s TYR 113 Cb 0.00 0.40 0.13 0.00 0.38 0.00 0.00 41.96 42.87 1kpu s TYR 113 CO 0.01 -0.70 0.53 -1.14 -1.52 0.00 0.00 175.55 172.72 1kpu s GLN 114 N -2.85 0.46 -0.02 -3.49 0.74 -1.26 -1.61 119.66 111.63 1kpu s GLN 114 Ca -0.03 1.14 0.02 0.00 0.05 0.00 0.00 55.36 56.54 1kpu s GLN 114 Cb -0.00 0.49 0.00 0.00 1.10 0.00 0.00 33.01 34.60 1kpu s GLN 114 CO -0.05 -0.33 -0.07 -0.65 -0.55 0.00 0.00 175.29 173.64 1kpu s GLN 115 N 2.76 0.75 0.11 1.67 -0.21 -0.16 -1.11 119.66 123.48 1kpu s GLN 115 Ca 0.02 -0.23 0.08 0.00 0.02 0.00 0.00 55.36 55.25 1kpu s GLN 115 Cb -0.13 -0.73 -0.04 0.00 1.00 0.00 0.00 33.01 33.11 1kpu s GLN 115 CO -0.17 0.08 -0.13 0.71 -2.12 0.00 0.00 175.29 173.66 1kpu s TYR 116 N 0.23 2.66 0.04 0.91 1.51 0.12 -1.14 117.35 121.69 1kpu s TYR 116 Ca -0.03 -0.20 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 1kpu s TYR 116 Cb -0.08 -1.39 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1kpu s TYR 116 CO 0.00 0.42 -0.07 0.00 -1.11 0.00 0.00 175.55 174.78 1kpu s ALA 117 N -1.22 0.57 -0.10 3.71 0.00 0.08 -1.03 121.76 123.78 1kpu s ALA 117 Ca 0.20 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1kpu s ALA 117 Cb -0.11 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1kpu s ALA 117 CO 0.13 -0.04 -0.15 -0.47 0.00 0.00 0.00 175.76 175.23 1kpu s TYR 118 N -1.53 1.88 -1.58 0.00 5.04 -0.46 -1.44 117.35 119.26 1kpu s TYR 118 Ca -0.09 -0.85 -0.15 0.00 -2.44 0.00 0.00 57.07 53.54 1kpu s TYR 118 Cb -0.09 -1.36 0.12 0.00 0.35 0.00 0.00 41.96 40.98 1kpu s TYR 118 CO -0.00 -0.44 0.82 -0.25 -1.34 0.00 0.00 175.55 174.34 1kpu n ASP 119 N 4.14 -4.03 0.00 4.32 8.00 -0.15 -1.73 116.55 127.09 1kpu n ASP 119 Ca -0.19 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1kpu n ASP 119 Cb 0.51 -3.26 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 1kpu n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kpu n GLY 120 N -1.47 0.51 3.26 0.44 0.00 -1.26 -5.02 105.19 101.64 1kpu n GLY 120 Ca 0.05 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1kpu n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kpu n ASP 122 N 1.64 1.54 0.00 0.00 8.00 -1.26 -1.35 116.55 125.12 1kpu n ASP 122 Ca -0.18 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.47 1kpu n ASP 122 Cb 0.53 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 1kpu n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kpu n TYR 123 N 1.39 0.00 -3.94 1.24 9.36 -0.20 -4.63 117.16 120.39 1kpu n TYR 123 Ca 0.14 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.26 1kpu n TYR 123 Cb 0.27 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.87 1kpu n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1kpu s ILE 124 N -0.76 0.10 -0.01 2.97 2.07 -1.20 -0.94 121.20 123.44 1kpu s ILE 124 Ca 0.00 -0.83 -0.06 0.00 -1.41 0.00 0.00 60.65 58.34 1kpu s ILE 124 Cb 0.00 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.26 1kpu s ILE 124 CO 0.00 -0.46 0.13 0.00 -1.91 0.00 0.00 174.94 172.70 1kpu s ALA 125 N -1.45 -0.30 0.21 1.50 0.00 -0.40 -0.70 121.76 120.63 1kpu s ALA 125 Ca -0.15 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 1kpu s ALA 125 Cb -0.09 0.05 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 1kpu s ALA 125 CO -0.00 -0.18 1.07 -1.17 0.00 0.00 0.00 175.76 175.48 1kpu s LEU 126 N -1.12 4.53 0.76 0.00 2.96 -0.26 -0.30 118.68 125.24 1kpu s LEU 126 Ca -0.12 2.10 -0.12 0.00 -0.22 0.00 0.00 54.13 55.78 1kpu s LEU 126 Cb -0.07 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 43.06 1kpu s LEU 126 CO 0.01 -0.13 1.11 0.20 -1.32 0.00 0.00 176.35 176.22 1kpu s ASN 127 N -0.49 4.95 0.56 3.68 0.01 0.19 -4.70 114.94 119.14 1kpu s ASN 127 Ca 0.46 1.15 0.25 0.00 -0.71 0.00 0.00 52.86 54.01 1kpu s ASN 127 Cb -0.29 -1.88 1.60 0.00 0.41 0.00 0.00 41.25 41.08 1kpu s ASN 127 CO 0.36 -1.66 2.19 -0.33 -1.51 0.00 0.00 177.10 176.15 1kpu h GLU 128 N -0.88 0.00 0.00 -0.60 5.08 -1.90 -1.32 114.58 114.97 1kpu h GLU 128 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1kpu h GLU 128 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1kpu h GLU 128 CO 0.62 0.00 0.00 0.38 -1.00 0.00 0.00 179.01 179.01 1kpu h ASP 129 N 0.00 0.00 -1.40 1.42 3.04 -1.92 -3.46 116.42 114.11 1kpu h ASP 129 Ca 0.02 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 53.45 1kpu h ASP 129 Cb 0.09 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 38.28 1kpu h ASP 129 CO -0.00 0.00 -0.37 0.18 -2.04 0.00 0.00 179.24 177.01 1kpu n LEU 130 N -2.46 -1.45 0.00 0.15 4.77 -0.50 -4.81 117.00 112.70 1kpu n LEU 130 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1kpu n LEU 130 Cb 0.17 -2.50 0.00 0.00 -2.33 0.00 0.00 43.42 38.76 1kpu n LEU 130 CO 0.18 -0.67 -0.33 0.29 -1.33 0.00 0.00 177.39 175.53 1kpu n LYS 131 N -2.56 2.37 -4.28 3.23 5.02 -1.26 -4.67 118.16 116.02 1kpu n LYS 131 Ca -0.19 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 55.95 1kpu n LYS 131 Cb 0.60 -0.83 -0.10 0.00 -0.02 0.00 0.00 35.03 34.68 1kpu n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1kpu s THR 132 N -1.52 0.98 0.16 -0.18 -4.23 -1.26 -4.86 115.64 104.73 1kpu s THR 132 Ca 0.00 -2.03 0.08 0.00 -1.18 0.00 0.00 61.69 58.56 1kpu s THR 132 Cb 0.00 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 1kpu s THR 132 CO 0.00 -0.51 -0.05 0.26 -0.54 0.00 0.00 174.62 173.78 1kpu s TRP 133 N -3.45 2.75 -0.07 3.99 0.52 -1.26 -0.64 118.94 120.77 1kpu s TRP 133 Ca 0.23 -0.17 0.04 0.00 0.02 0.00 0.00 56.10 56.22 1kpu s TRP 133 Cb 0.05 -1.35 0.00 0.00 -1.15 0.00 0.00 33.47 31.01 1kpu s TRP 133 CO 0.05 0.50 -0.20 -0.08 0.02 0.00 0.00 176.95 177.23 1kpu s THR 134 N -1.64 1.74 -0.13 2.01 -1.32 0.59 -4.87 115.64 112.03 1kpu s THR 134 Ca 0.25 -0.85 -0.01 0.00 -1.21 0.00 0.00 61.69 59.87 1kpu s THR 134 Cb -0.09 -1.51 -0.02 0.00 -1.51 0.00 0.00 72.50 69.37 1kpu s THR 134 CO 0.16 0.49 -0.10 0.00 -2.21 0.00 0.00 174.62 172.97 1kpu s ALA 135 N 0.26 2.77 -0.38 11.08 0.00 -1.26 -1.27 121.76 132.96 1kpu s ALA 135 Ca -0.12 -0.87 0.22 0.00 0.00 0.00 0.00 51.96 51.18 1kpu s ALA 135 Cb -0.16 -1.30 0.26 0.00 0.00 0.00 0.00 23.12 21.92 1kpu s ALA 135 CO 0.06 0.29 1.50 0.00 0.00 0.00 0.00 175.76 177.61 1kpu h ALA 136 N 6.48 0.89 -3.49 0.00 0.00 -1.30 -3.47 119.26 118.38 1kpu h ALA 136 Ca -0.31 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 1kpu h ALA 136 Cb 1.20 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1kpu h ALA 136 CO 0.57 0.07 0.03 -0.40 0.00 0.00 0.00 179.25 179.53 1kpu n ASP 137 N -3.05 -1.63 0.20 0.00 5.68 -1.26 -5.05 116.55 111.44 1kpu n ASP 137 Ca 0.03 -2.63 0.05 0.00 -0.50 0.00 0.00 54.79 51.74 1kpu n ASP 137 Cb 0.56 2.85 0.41 0.00 -1.14 0.00 0.00 41.12 43.80 1kpu n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1kpu h MET 138 N 0.00 0.00 -0.09 0.11 2.86 -1.98 -1.80 114.93 114.03 1kpu h MET 138 Ca -0.28 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1kpu h MET 138 Cb 1.12 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1kpu h MET 138 CO 0.36 0.34 0.01 0.00 1.06 0.00 0.00 176.91 178.68 1kpu h ALA 139 N 1.66 0.12 0.00 6.32 0.00 -1.97 -2.79 119.26 122.60 1kpu h ALA 139 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1kpu h ALA 139 Cb 0.72 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1kpu h ALA 139 CO 0.04 -0.21 -0.09 0.00 0.00 0.00 0.00 179.25 178.99 1kpu h ALA 140 N 0.75 1.55 -0.07 0.00 0.00 -1.78 -0.66 119.26 119.05 1kpu h ALA 140 Ca 0.03 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1kpu h ALA 140 Cb 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1kpu h ALA 140 CO 0.00 0.11 -0.39 1.25 0.00 0.00 0.00 179.25 180.23 1kpu h LEU 141 N 0.00 0.15 -0.11 0.00 5.85 -1.10 0.67 115.31 120.77 1kpu h LEU 141 Ca -0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1kpu h LEU 141 Cb 0.20 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1kpu h LEU 141 CO 0.01 0.53 0.04 0.40 -0.34 0.00 0.00 178.44 179.08 1kpu h ILE 142 N 0.13 1.17 -0.61 4.05 2.04 -0.87 -1.85 117.51 121.57 1kpu h ILE 142 Ca 0.01 -0.52 0.05 0.00 1.00 0.00 0.00 64.86 65.41 1kpu h ILE 142 Cb 0.75 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1kpu h ILE 142 CO 0.06 0.15 0.33 0.74 0.00 0.00 0.00 178.15 179.43 1kpu h THR 143 N -0.01 0.96 -0.66 -0.27 2.02 -1.22 -1.43 112.91 112.31 1kpu h THR 143 Ca 0.04 -0.21 0.06 0.00 0.77 0.00 0.00 66.41 67.06 1kpu h THR 143 Cb 0.21 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 1kpu h THR 143 CO -0.00 0.11 0.36 0.50 0.37 0.00 0.00 175.52 176.86 1kpu h LYS 144 N 0.62 0.65 -0.36 6.66 3.64 -0.64 0.22 116.57 127.36 1kpu h LYS 144 Ca 0.27 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.47 1kpu h LYS 144 Cb 0.17 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1kpu h LYS 144 CO -0.17 0.43 -0.33 0.45 -2.27 0.00 0.00 179.45 177.55 1kpu h HIS 145 N 0.67 0.94 -0.44 1.91 3.86 -0.82 -0.41 115.15 120.86 1kpu h HIS 145 Ca 0.29 -0.26 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1kpu h HIS 145 Cb 0.18 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1kpu h HIS 145 CO -0.08 1.02 0.26 0.87 0.86 0.00 0.00 177.93 180.86 1kpu h LYS 146 N 0.67 0.60 -0.14 2.45 1.57 -0.55 -2.65 116.57 118.52 1kpu h LYS 146 Ca 0.07 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1kpu h LYS 146 Cb 0.88 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1kpu h LYS 146 CO 0.08 0.45 -0.34 -1.49 -0.57 0.00 0.00 179.45 177.58 1kpu h TRP 147 N 0.58 0.31 -0.55 -1.35 4.06 -0.65 -1.88 115.95 116.47 1kpu h TRP 147 Ca 0.16 -0.07 -0.11 0.00 2.06 0.00 0.00 58.89 60.92 1kpu h TRP 147 Cb 0.01 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.08 1kpu h TRP 147 CO -0.03 0.59 -0.09 0.93 -3.56 0.00 0.00 178.44 176.27 1kpu h GLU 148 N 0.24 1.04 0.00 0.49 5.08 -0.93 -1.77 114.58 118.73 1kpu h GLU 148 Ca 0.03 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1kpu h GLU 148 Cb 0.72 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1kpu h GLU 148 CO 0.05 1.07 0.00 1.96 -1.00 0.00 0.00 179.01 181.10 1kpu h GLN 149 N 0.92 0.00 -0.03 2.33 1.08 -1.13 -3.02 115.11 115.25 1kpu h GLN 149 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1kpu h GLN 149 Cb 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1kpu h GLN 149 CO 0.05 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.93 1kpu n ALA 150 N -2.10 2.55 -2.36 3.87 0.00 -0.74 -4.94 120.51 116.80 1kpu n ALA 150 Ca 0.03 -0.49 -0.15 0.00 0.00 0.00 0.00 53.44 52.83 1kpu n ALA 150 Cb 0.46 -1.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 1kpu n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kpu n GLY 151 N 1.20 -0.25 0.34 0.00 0.00 -1.01 -4.93 105.19 100.55 1kpu n GLY 151 Ca 0.18 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 1kpu n GLY 151 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1kpu h GLU 152 N -0.14 1.14 -0.59 1.61 4.57 -1.60 -2.81 114.58 116.77 1kpu h GLU 152 Ca -0.36 -0.20 -0.05 0.00 -1.18 0.00 0.00 59.36 57.57 1kpu h GLU 152 Cb 1.27 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.64 1kpu h GLU 152 CO 0.42 0.92 0.17 0.00 -1.18 0.00 0.00 179.01 179.34 1kpu h ALA 153 N 1.22 1.19 -0.64 2.92 0.00 -1.89 -0.40 119.26 121.67 1kpu h ALA 153 Ca 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1kpu h ALA 153 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1kpu h ALA 153 CO -0.02 0.56 0.33 1.49 0.00 0.00 0.00 179.25 181.60 1kpu h GLU 154 N 0.86 0.90 -0.46 0.00 4.81 -1.81 0.69 114.58 119.57 1kpu h GLU 154 Ca 0.19 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1kpu h GLU 154 Cb 0.27 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1kpu h GLU 154 CO -0.01 0.70 0.13 -0.09 -0.73 0.00 0.00 179.01 179.02 1kpu h ARG 155 N 0.87 0.72 -0.48 1.92 2.43 -1.19 -1.67 114.38 116.98 1kpu h ARG 155 Ca 0.22 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1kpu h ARG 155 Cb 0.08 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1kpu h ARG 155 CO -0.03 0.70 -0.05 1.25 -1.51 0.00 0.00 179.97 180.33 1kpu h LEU 156 N 0.60 0.88 -0.87 3.80 5.85 -0.87 -2.37 115.31 122.34 1kpu h LEU 156 Ca 0.15 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1kpu h LEU 156 Cb 0.29 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1kpu h LEU 156 CO -0.00 1.00 0.28 -0.09 -0.34 0.00 0.00 178.44 179.29 1kpu h ARG 157 N 0.74 1.11 -0.93 1.25 2.43 -0.72 0.11 114.38 118.37 1kpu h ARG 157 Ca 0.13 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1kpu h ARG 157 Cb 0.58 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1kpu h ARG 157 CO 0.03 0.91 0.54 0.00 -1.51 0.00 0.00 179.97 179.95 1kpu h ALA 158 N 1.22 1.18 -0.01 2.80 0.00 -1.09 -0.05 119.26 123.31 1kpu h ALA 158 Ca 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1kpu h ALA 158 Cb 0.23 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1kpu h ALA 158 CO -0.02 0.65 0.00 -0.92 0.00 0.00 0.00 179.25 178.97 1kpu h TYR 159 N 1.28 0.01 -0.44 0.00 3.20 -0.85 -1.44 116.97 118.74 1kpu h TYR 159 Ca 0.33 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 1kpu h TYR 159 Cb -0.03 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1kpu h TYR 159 CO 0.01 0.24 0.25 -0.07 -1.64 0.00 0.00 178.16 176.94 1kpu h LEU 160 N -0.22 0.55 0.00 2.82 3.38 -0.65 0.90 115.31 122.09 1kpu h LEU 160 Ca 0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1kpu h LEU 160 Cb 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1kpu h LEU 160 CO 0.00 0.47 -0.31 -0.33 0.09 0.00 0.00 178.44 178.37 1kpu h GLU 161 N 0.58 0.00 0.00 1.13 5.08 -1.08 -3.28 114.58 117.01 1kpu h GLU 161 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1kpu h GLU 161 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1kpu h GLU 161 CO -0.03 0.18 0.00 0.41 -1.00 0.00 0.00 179.01 178.58 1kpu n GLY 162 N 1.16 0.14 0.26 -3.84 0.00 -0.54 -4.61 105.19 97.76 1kpu n GLY 162 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 1kpu n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1kpu h THR 163 N 0.00 0.33 -0.16 2.61 2.02 -1.56 0.06 112.91 116.21 1kpu h THR 163 Ca 0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1kpu h THR 163 Cb 0.00 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1kpu h THR 163 CO 0.00 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.98 1kpu h VAL 165 N 0.15 1.15 -0.63 0.00 2.07 -1.46 -0.80 116.25 116.73 1kpu h VAL 165 Ca 0.06 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 1kpu h VAL 165 Cb 0.08 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1kpu h VAL 165 CO -0.01 0.15 0.09 -0.33 0.02 0.00 0.00 177.57 177.49 1kpu h GLU 166 N 0.26 1.05 -0.21 1.57 5.08 -0.82 -1.27 114.58 120.23 1kpu h GLU 166 Ca 0.08 -0.29 -0.21 0.00 -1.00 0.00 0.00 59.36 57.95 1kpu h GLU 166 Cb 0.14 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1kpu h GLU 166 CO -0.01 0.98 -0.68 -1.49 -1.00 0.00 0.00 179.01 176.81 1kpu h TRP 167 N 0.96 1.08 -0.50 4.33 4.06 -1.10 -2.43 115.95 122.34 1kpu h TRP 167 Ca 0.19 -0.44 0.06 0.00 2.06 0.00 0.00 58.89 60.76 1kpu h TRP 167 Cb 0.45 -0.18 -0.05 0.00 -1.00 0.00 0.00 29.16 28.37 1kpu h TRP 167 CO 0.03 1.27 0.21 1.25 -3.56 0.00 0.00 178.44 177.64 1kpu h LEU 168 N 0.59 0.24 -0.70 -4.49 5.85 -0.92 0.11 115.31 115.99 1kpu h LEU 168 Ca -0.02 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1kpu h LEU 168 Cb 1.30 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 1kpu h LEU 168 CO 0.14 0.17 0.43 0.03 -0.34 0.00 0.00 178.44 178.87 1kpu h ARG 169 N 0.40 0.79 -0.49 1.25 3.08 -1.13 -1.21 114.38 117.06 1kpu h ARG 169 Ca 0.24 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1kpu h ARG 169 Cb 0.22 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1kpu h ARG 169 CO -0.22 0.52 0.21 -0.09 -1.07 0.00 0.00 179.97 179.32 1kpu h ARG 170 N 0.81 0.73 -0.67 0.04 2.43 -0.87 -1.66 114.38 115.19 1kpu h ARG 170 Ca 0.30 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1kpu h ARG 170 Cb 0.09 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1kpu h ARG 170 CO -0.14 0.65 0.22 1.88 -1.51 0.00 0.00 179.97 181.07 1kpu h TYR 171 N 0.66 1.08 -0.52 2.20 0.05 -0.36 0.04 116.97 120.12 1kpu h TYR 171 Ca 0.17 -0.11 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 1kpu h TYR 171 Cb 0.18 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 1kpu h TYR 171 CO 0.00 0.87 0.16 -0.07 -1.05 0.00 0.00 178.16 178.07 1kpu h LEU 172 N 0.98 0.70 -0.00 3.88 3.38 -1.08 0.15 115.31 123.32 1kpu h LEU 172 Ca 0.22 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1kpu h LEU 172 Cb 0.29 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1kpu h LEU 172 CO -0.01 0.67 -0.00 0.50 0.09 0.00 0.00 178.44 179.69 1kpu h LYS 173 N 0.75 0.00 -0.36 1.13 3.64 -0.86 -2.21 116.57 118.66 1kpu h LYS 173 Ca 0.17 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 1kpu h LYS 173 Cb 0.22 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1kpu h LYS 173 CO -0.01 0.41 -0.35 -0.91 -2.27 0.00 0.00 179.45 176.32 1kpu h ASN 174 N -0.40 0.93 -0.48 4.20 -0.26 -0.83 -3.08 115.58 115.66 1kpu h ASN 174 Ca 0.00 -0.46 -0.03 0.00 -0.56 0.00 0.00 56.30 55.25 1kpu h ASN 174 Cb 0.41 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.39 1kpu h ASN 174 CO 0.00 1.21 0.04 0.61 -1.06 0.00 0.00 177.43 178.22 1kpu n GLY 175 N 0.13 2.78 0.35 2.83 0.00 0.50 -4.69 105.19 107.11 1kpu n GLY 175 Ca -0.03 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.38 1kpu n GLY 175 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1kpu h ASN 176 N 3.01 0.80 0.21 1.61 -1.07 -1.30 0.91 115.58 119.75 1kpu h ASN 176 Ca 0.04 0.10 -0.03 0.00 0.07 0.00 0.00 56.30 56.47 1kpu h ASN 176 Cb 1.75 -0.05 -0.00 0.00 -2.07 0.00 0.00 38.32 37.94 1kpu h ASN 176 CO 0.43 0.29 -0.16 0.00 0.07 0.00 0.00 177.43 178.06 1kpu h ALA 177 N 1.64 1.59 0.02 4.14 0.00 -1.88 -1.32 119.26 123.44 1kpu h ALA 177 Ca 0.58 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 55.04 1kpu h ALA 177 Cb 0.88 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1kpu h ALA 177 CO -0.38 0.20 -1.67 2.41 0.00 0.00 0.00 179.25 179.81 1kpu n THR 178 N -4.13 1.57 0.07 0.00 -1.04 -0.49 -4.28 114.28 105.97 1kpu n THR 178 Ca -0.02 -0.21 -0.06 0.00 -2.04 0.00 0.00 64.05 61.71 1kpu n THR 178 Cb 0.23 -1.94 -0.09 0.00 -1.82 0.00 0.00 70.33 66.71 1kpu n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1kpu h LEU 179 N -0.80 0.00 -2.45 -4.42 3.38 -0.84 -3.27 115.31 106.90 1kpu h LEU 179 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1kpu h LEU 179 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1kpu h LEU 179 CO -0.21 0.96 0.00 0.18 0.09 0.00 0.00 178.44 179.47 1kpu n LEU 180 N -3.39 3.62 -4.86 1.67 4.77 -0.50 -4.98 117.00 113.32 1kpu n LEU 180 Ca -0.00 -1.68 -0.30 0.00 -0.03 0.00 0.00 56.01 54.00 1kpu n LEU 180 Cb 0.91 -0.35 0.05 0.00 -2.33 0.00 0.00 43.42 41.69 1kpu n LEU 180 CO 0.47 0.84 0.74 0.00 -1.33 0.00 0.00 177.39 178.10 1kpu s ARG 181 N -1.29 2.90 -0.10 3.23 1.70 -1.24 -5.04 118.95 119.11 1kpu s ARG 181 Ca 0.43 0.58 0.00 0.00 -0.47 0.00 0.00 55.73 56.27 1kpu s ARG 181 Cb 0.24 -2.02 0.02 0.00 -0.57 0.00 0.00 34.95 32.62 1kpu s ARG 181 CO 0.32 -1.03 -0.09 0.99 -1.08 0.00 0.00 175.30 174.41 1kpu s THR 182 N -3.27 1.02 -0.24 4.99 2.01 -1.26 -4.49 115.64 114.40 1kpu s THR 182 Ca 0.58 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 62.21 1kpu s THR 182 Cb -0.12 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.38 1kpu s THR 182 CO 0.53 0.36 -0.02 -1.81 -0.69 0.00 0.00 174.62 172.98 1kpu s ASP 183 N 1.38 4.46 0.26 3.53 1.01 -0.25 -4.96 116.67 122.10 1kpu s ASP 183 Ca -0.01 -0.54 -0.30 0.00 0.71 0.00 0.00 52.55 52.41 1kpu s ASP 183 Cb -0.14 -1.75 -0.09 0.00 1.01 0.00 0.00 42.92 41.95 1kpu s ASP 183 CO -0.04 -0.07 1.12 -0.44 0.21 0.00 0.00 175.17 175.95 1kpu s SER 184 N 1.45 7.22 0.52 0.27 0.01 -1.26 -1.67 113.70 120.24 1kpu s SER 184 Ca 0.04 2.27 -0.22 0.00 1.31 0.00 0.00 55.95 59.35 1kpu s SER 184 Cb -0.15 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.40 1kpu s SER 184 CO -0.02 -0.20 1.26 -2.84 0.41 0.00 0.00 173.24 171.85 1kpu s PRO 185 N -1.19 3.38 -0.13 12.44 0.02 -1.26 -4.51 135.00 143.74 1kpu s PRO 185 Ca 0.46 2.00 -0.00 0.00 0.02 0.00 0.00 61.00 63.48 1kpu s PRO 185 Cb -0.32 -2.28 -0.02 0.00 0.02 0.00 0.00 34.50 31.90 1kpu s PRO 185 CO 0.40 -0.93 -0.12 0.15 -0.33 0.00 0.00 177.00 176.18 1kpu s LYS 186 N -2.87 3.40 0.21 5.54 1.02 -0.52 -4.91 119.74 121.61 1kpu s LYS 186 Ca 0.69 -0.67 0.11 0.00 0.02 0.00 0.00 55.97 56.12 1kpu s LYS 186 Cb -0.34 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 34.27 1kpu s LYS 186 CO 0.41 0.22 -0.23 0.00 -0.92 0.00 0.00 175.35 174.83 1kpu s ALA 187 N 0.34 2.54 0.17 5.17 0.00 -1.26 -1.07 121.76 127.64 1kpu s ALA 187 Ca -0.10 -1.68 -0.19 0.00 0.00 0.00 0.00 51.96 49.98 1kpu s ALA 187 Cb -0.16 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1kpu s ALA 187 CO 0.05 0.38 0.53 -3.38 0.00 0.00 0.00 175.76 173.34 1kpu s HIS 188 N -1.90 -0.29 -0.08 0.00 -3.43 -0.79 -5.00 115.29 103.80 1kpu s HIS 188 Ca 0.22 -0.01 0.04 0.00 -0.80 0.00 0.00 55.06 54.51 1kpu s HIS 188 Cb -0.07 0.43 -0.01 0.00 -1.43 0.00 0.00 32.58 31.50 1kpu s HIS 188 CO 0.11 -0.86 -0.22 0.08 -2.00 0.00 0.00 174.74 171.85 1kpu s VAL 189 N -3.82 2.31 0.30 -5.38 1.01 -1.26 -0.45 120.40 113.12 1kpu s VAL 189 Ca 0.05 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1kpu s VAL 189 Cb -0.01 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1kpu s VAL 189 CO -0.08 0.56 0.13 0.42 0.00 0.00 0.00 175.10 176.14 1kpu s THR 190 N -0.00 3.49 -0.03 3.92 -4.23 0.52 -4.94 115.64 114.37 1kpu s THR 190 Ca -0.07 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 58.80 1kpu s THR 190 Cb -0.15 -3.05 0.01 0.00 1.34 0.00 0.00 72.50 70.65 1kpu s THR 190 CO 0.05 -0.27 -0.06 -2.28 -0.54 0.00 0.00 174.62 171.53 1kpu s HIS 191 N -2.32 0.71 -0.02 3.99 5.04 -1.26 -1.17 115.29 120.26 1kpu s HIS 191 Ca 0.35 -0.17 -0.01 0.00 -1.54 0.00 0.00 55.06 53.70 1kpu s HIS 191 Cb -0.05 -0.56 0.03 0.00 0.04 0.00 0.00 32.58 32.04 1kpu s HIS 191 CO 0.23 -0.11 0.04 -1.01 -2.34 0.00 0.00 174.74 171.55 1kpu s HIS 192 N 0.42 -0.01 0.82 3.88 3.76 -0.41 -4.99 115.29 118.76 1kpu s HIS 192 Ca -0.05 0.16 -0.11 0.00 -0.15 0.00 0.00 55.06 54.91 1kpu s HIS 192 Cb -0.09 -0.17 0.08 0.00 1.11 0.00 0.00 32.58 33.51 1kpu s HIS 192 CO 0.00 -0.08 1.10 -1.54 -0.85 0.00 0.00 174.74 173.36 1kpu s SER 193 N 0.88 4.10 0.18 1.40 1.04 -1.26 -0.29 113.70 119.75 1kpu s SER 193 Ca -0.07 1.79 -0.06 0.00 0.48 0.00 0.00 55.95 58.09 1kpu s SER 193 Cb -0.10 -2.45 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 1kpu s SER 193 CO -0.03 -2.29 0.24 -0.13 0.98 0.00 0.00 173.24 172.01 1kpu s ARG 194 N -4.88 1.19 0.87 4.02 0.52 -1.08 -4.75 118.95 114.84 1kpu s ARG 194 Ca 0.62 -1.34 -0.12 0.00 -0.52 0.00 0.00 55.73 54.37 1kpu s ARG 194 Cb -0.18 0.34 0.11 0.00 0.52 0.00 0.00 34.95 35.75 1kpu s ARG 194 CO 0.56 -0.42 1.10 -2.14 0.02 0.00 0.00 175.30 174.42 1kpu s PRO 195 N -4.04 1.48 -0.95 3.54 0.02 -1.26 -4.22 135.00 129.58 1kpu s PRO 195 Ca 0.24 0.68 0.00 0.00 0.02 0.00 0.00 61.00 61.95 1kpu s PRO 195 Cb 0.04 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.72 1kpu s PRO 195 CO 0.05 -2.05 0.00 0.39 -0.33 0.00 0.00 177.00 175.05 1kpu n GLU 196 N -3.73 -0.88 -3.82 5.54 1.02 -1.26 -3.80 120.64 113.71 1kpu n GLU 196 Ca 0.07 0.54 -0.24 0.00 -0.02 0.00 0.00 57.16 57.50 1kpu n GLU 196 Cb 0.56 -4.65 0.01 0.00 -0.02 0.00 0.00 31.44 27.35 1kpu n GLU 196 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1kpu n ASP 197 N -0.11 -1.49 -4.41 1.62 8.00 -1.26 -4.96 116.55 113.94 1kpu n ASP 197 Ca -0.13 -0.87 -0.20 0.00 0.71 0.00 0.00 54.79 54.29 1kpu n ASP 197 Cb 0.60 -3.71 -0.10 0.00 -0.02 0.00 0.00 41.12 37.88 1kpu n ASP 197 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1kpu s LYS 198 N -6.26 1.53 -0.00 -1.24 1.02 -1.25 -1.94 119.74 111.60 1kpu s LYS 198 Ca 0.12 -1.81 -0.01 0.00 0.02 0.00 0.00 55.97 54.30 1kpu s LYS 198 Cb -0.06 -0.89 -0.00 0.00 -0.52 0.00 0.00 37.83 36.36 1kpu s LYS 198 CO 0.84 -0.09 0.01 0.08 -0.92 0.00 0.00 175.35 175.27 1kpu s VAL 199 N -3.24 0.02 -0.17 3.17 1.01 0.28 -2.63 120.40 118.84 1kpu s VAL 199 Ca 0.32 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 1kpu s VAL 199 Cb 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.32 1kpu s VAL 199 CO 0.12 -0.10 0.46 -0.89 0.00 0.00 0.00 175.10 174.70 1kpu s THR 200 N -0.29 5.16 -0.20 3.92 2.01 0.60 -0.96 115.64 125.89 1kpu s THR 200 Ca -0.03 0.87 -0.06 0.00 0.31 0.00 0.00 61.69 62.78 1kpu s THR 200 Cb -0.02 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1kpu s THR 200 CO -0.00 0.25 0.03 -0.76 -0.69 0.00 0.00 174.62 173.45 1kpu s LEU 201 N 1.20 3.47 -0.17 4.42 1.43 -0.05 -1.28 118.68 127.70 1kpu s LEU 201 Ca 0.23 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1kpu s LEU 201 Cb -0.15 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1kpu s LEU 201 CO 0.09 0.10 -0.19 -0.60 0.23 0.00 0.00 176.35 175.98 1kpu s ARG 202 N 0.83 2.84 -0.23 1.70 3.52 -0.31 -1.05 118.95 126.24 1kpu s ARG 202 Ca 0.02 -0.77 -0.12 0.00 -0.13 0.00 0.00 55.73 54.73 1kpu s ARG 202 Cb -0.14 -2.44 -0.05 0.00 -1.56 0.00 0.00 34.95 30.76 1kpu s ARG 202 CO 0.02 -0.18 0.21 0.00 -0.81 0.00 0.00 175.30 174.54 1kpu s TRP 204 N 1.14 3.12 -0.12 0.00 0.52 0.41 -1.45 118.94 122.55 1kpu s TRP 204 Ca 0.10 0.13 0.01 0.00 0.02 0.00 0.00 56.10 56.37 1kpu s TRP 204 Cb -0.14 -1.79 0.02 0.00 -1.15 0.00 0.00 33.47 30.41 1kpu s TRP 204 CO 0.05 0.41 -0.15 0.00 0.02 0.00 0.00 176.95 177.28 1kpu s ALA 205 N -0.77 1.76 0.18 0.98 0.00 -0.25 -1.89 121.76 121.77 1kpu s ALA 205 Ca 0.12 -0.80 0.09 0.00 0.00 0.00 0.00 51.96 51.37 1kpu s ALA 205 Cb -0.11 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 1kpu s ALA 205 CO 0.02 -0.16 -0.18 -0.51 0.00 0.00 0.00 175.76 174.93 1kpu s LEU 206 N 1.12 2.47 -1.04 0.00 1.43 -0.23 -1.77 118.68 120.66 1kpu s LEU 206 Ca -0.03 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1kpu s LEU 206 Cb -0.14 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.24 1kpu s LEU 206 CO -0.04 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1kpu n GLY 207 N 0.11 0.28 3.80 -3.19 0.00 -1.07 -1.44 105.19 103.67 1kpu n GLY 207 Ca -0.12 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1kpu n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kpu s PHE 208 N -2.53 3.08 -0.28 1.61 -0.12 -1.07 -4.49 117.98 114.19 1kpu s PHE 208 Ca 0.00 -0.10 -0.20 0.00 -0.05 0.00 0.00 56.93 56.58 1kpu s PHE 208 Cb 0.00 -1.41 0.08 0.00 -0.63 0.00 0.00 43.02 41.06 1kpu s PHE 208 CO 0.00 0.53 0.71 -0.47 -0.05 0.00 0.00 175.22 175.94 1kpu s TYR 209 N -2.03 -0.93 1.08 3.49 5.04 -0.67 -0.89 117.35 122.43 1kpu s TYR 209 Ca 0.32 2.02 -0.18 0.00 -2.44 0.00 0.00 57.07 56.79 1kpu s TYR 209 Cb -0.08 0.47 0.27 0.00 0.35 0.00 0.00 41.96 42.97 1kpu s TYR 209 CO 0.24 -0.46 1.00 -0.35 -1.34 0.00 0.00 175.55 174.64 1kpu n PRO 210 N 3.59 -2.76 0.16 4.97 -0.04 -1.26 -1.09 135.00 138.56 1kpu n PRO 210 Ca -0.17 -1.59 0.01 0.00 -0.04 0.00 0.00 63.50 61.71 1kpu n PRO 210 Cb 0.57 -1.44 0.27 0.00 -0.04 0.00 0.00 33.50 32.86 1kpu n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kpu h ALA 211 N -2.59 1.14 -2.64 0.55 0.00 -1.96 -3.45 119.26 110.30 1kpu h ALA 211 Ca -0.37 -0.45 -0.52 0.00 0.00 0.00 0.00 54.91 53.57 1kpu h ALA 211 Cb 1.12 -0.08 0.05 0.00 0.00 0.00 0.00 17.79 18.88 1kpu h ALA 211 CO 0.24 0.61 0.89 0.34 0.00 0.00 0.00 179.25 181.34 1kpu s ASP 212 N -6.82 6.54 0.03 0.00 2.15 -1.26 -4.97 116.67 112.34 1kpu s ASP 212 Ca -0.02 2.69 -0.25 0.00 0.43 0.00 0.00 52.55 55.40 1kpu s ASP 212 Cb 0.13 -2.60 0.06 0.00 -0.30 0.00 0.00 42.92 40.21 1kpu s ASP 212 CO 0.74 -0.85 0.59 -0.51 -0.17 0.00 0.00 175.17 174.97 1kpu s ILE 213 N 0.95 0.01 -0.09 4.11 2.07 -1.26 -4.67 121.20 122.33 1kpu s ILE 213 Ca 0.69 -0.11 0.02 0.00 -1.41 0.00 0.00 60.65 59.84 1kpu s ILE 213 Cb -0.45 -0.98 0.01 0.00 0.13 0.00 0.00 42.46 41.17 1kpu s ILE 213 CO 0.34 -0.06 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.27 1kpu s THR 214 N -2.20 1.40 -0.12 4.00 2.01 -0.59 -5.00 115.64 115.13 1kpu s THR 214 Ca -0.06 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1kpu s THR 214 Cb -0.01 -1.27 -0.00 0.00 0.01 0.00 0.00 72.50 71.23 1kpu s THR 214 CO 0.01 0.42 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.40 1kpu s LEU 215 N 0.76 2.35 0.10 4.42 1.43 -1.26 -0.91 118.68 125.56 1kpu s LEU 215 Ca -0.12 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1kpu s LEU 215 Cb -0.16 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1kpu s LEU 215 CO 0.02 0.14 -0.07 0.42 0.23 0.00 0.00 176.35 177.09 1kpu s THR 216 N 0.48 0.74 -0.03 5.49 -4.23 -0.62 -4.99 115.64 112.48 1kpu s THR 216 Ca -0.13 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 58.49 1kpu s THR 216 Cb -0.17 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 1kpu s THR 216 CO 0.05 -0.85 -0.15 0.26 -0.54 0.00 0.00 174.62 173.39 1kpu s TRP 217 N -3.55 2.67 0.10 3.99 0.52 -1.26 -0.83 118.94 120.58 1kpu s TRP 217 Ca 0.12 -0.18 0.07 0.00 0.02 0.00 0.00 56.10 56.13 1kpu s TRP 217 Cb 0.05 -1.60 -0.03 0.00 -1.15 0.00 0.00 33.47 30.73 1kpu s TRP 217 CO -0.04 0.19 -0.17 -0.65 0.02 0.00 0.00 176.95 176.29 1kpu s GLN 218 N -0.85 1.04 -0.03 4.98 -0.21 0.11 -0.52 119.66 124.18 1kpu s GLN 218 Ca 0.12 -1.15 -0.01 0.00 0.02 0.00 0.00 55.36 54.35 1kpu s GLN 218 Cb -0.11 -1.13 0.03 0.00 1.00 0.00 0.00 33.01 32.81 1kpu s GLN 218 CO 0.01 0.25 0.04 -1.17 -2.12 0.00 0.00 175.29 172.30 1kpu s LEU 219 N -2.06 0.69 -1.46 2.90 2.96 -0.58 -1.96 118.68 119.17 1kpu s LEU 219 Ca 0.06 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1kpu s LEU 219 Cb -0.09 -0.11 0.00 0.00 0.50 0.00 0.00 46.19 46.50 1kpu s LEU 219 CO 0.04 -0.18 0.00 0.59 -1.32 0.00 0.00 176.35 175.48 1kpu n ASN 220 N 4.65 -4.83 0.00 3.68 3.02 -1.26 -1.74 115.26 118.77 1kpu n ASN 220 Ca -0.18 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1kpu n ASN 220 Cb 0.50 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 1kpu n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kpu n GLY 221 N -0.83 1.65 3.78 7.41 0.00 -1.26 -5.03 105.19 110.90 1kpu n GLY 221 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1kpu n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kpu s GLU 222 N -0.40 3.19 0.51 1.61 -1.05 -0.71 -5.06 118.70 116.80 1kpu s GLU 222 Ca 0.00 -0.29 -0.20 0.00 -0.15 0.00 0.00 54.97 54.33 1kpu s GLU 222 Cb 0.00 -2.98 -0.07 0.00 -0.44 0.00 0.00 34.13 30.64 1kpu s GLU 222 CO 0.00 0.73 1.09 -1.21 0.95 0.00 0.00 175.26 176.82 1kpu s GLU 223 N -1.02 3.59 -0.58 -4.83 2.02 -1.26 -1.53 118.70 115.09 1kpu s GLU 223 Ca 0.15 1.50 0.03 0.00 0.02 0.00 0.00 54.97 56.67 1kpu s GLU 223 Cb -0.12 -2.07 0.39 0.00 0.10 0.00 0.00 34.13 32.43 1kpu s GLU 223 CO 0.04 -0.64 1.36 1.28 0.02 0.00 0.00 175.26 177.32 1kpu n LEU 224 N -1.09 5.51 0.24 1.80 4.77 0.32 -4.83 117.00 123.71 1kpu n LEU 224 Ca 0.10 -5.17 0.07 0.00 -0.03 0.00 0.00 56.01 50.98 1kpu n LEU 224 Cb 0.51 -0.65 0.57 0.00 -2.33 0.00 0.00 43.42 41.53 1kpu n LEU 224 CO 0.41 2.12 0.99 -0.29 -1.33 0.00 0.00 177.39 179.30 1kpu h ILE 225 N 2.45 1.06 -0.14 -0.08 2.10 -1.94 -2.69 117.51 118.28 1kpu h ILE 225 Ca 0.36 -0.29 -0.03 0.00 1.08 0.00 0.00 64.86 65.99 1kpu h ILE 225 Cb 0.63 1.15 -0.00 0.00 -1.09 0.00 0.00 36.82 37.51 1kpu h ILE 225 CO 1.01 0.08 -0.02 1.56 -1.08 0.00 0.00 178.15 179.70 1kpu h GLN 226 N 0.01 0.26 -0.00 2.19 4.20 -1.99 -3.21 115.11 116.57 1kpu h GLN 226 Ca 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1kpu h GLN 226 Cb 0.15 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1kpu h GLN 226 CO 0.01 0.53 -0.09 -0.25 -0.67 0.00 0.00 178.83 178.36 1kpu n ASP 227 N -4.73 0.32 -4.79 1.46 9.92 -1.07 -4.91 116.55 112.75 1kpu n ASP 227 Ca -0.06 -0.38 -0.36 0.00 -0.53 0.00 0.00 54.79 53.46 1kpu n ASP 227 Cb 0.24 -0.14 -0.06 0.00 -0.64 0.00 0.00 41.12 40.52 1kpu n ASP 227 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1kpu s MET 228 N -2.56 4.41 0.03 -1.24 -1.94 -1.04 -4.64 119.30 112.33 1kpu s MET 228 Ca 0.27 1.37 0.05 0.00 -1.71 0.00 0.00 55.69 55.68 1kpu s MET 228 Cb 0.20 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.35 1kpu s MET 228 CO 0.49 0.11 -0.10 -2.00 -0.01 0.00 0.00 175.02 173.50 1kpu s GLU 229 N -2.32 2.33 0.32 2.03 2.12 -0.29 -4.95 118.70 117.95 1kpu s GLU 229 Ca 0.54 -0.86 -0.15 0.00 0.36 0.00 0.00 54.97 54.86 1kpu s GLU 229 Cb -0.19 -2.37 0.02 0.00 0.26 0.00 0.00 34.13 31.85 1kpu s GLU 229 CO 0.24 0.57 0.66 -0.48 -0.54 0.00 0.00 175.26 175.71 1kpu s LEU 230 N -1.59 0.13 0.17 2.70 0.05 -1.26 0.05 118.68 118.94 1kpu s LEU 230 Ca 0.17 -0.99 0.09 0.00 0.05 0.00 0.00 54.13 53.46 1kpu s LEU 230 Cb -0.11 2.40 -0.04 0.00 -2.05 0.00 0.00 46.19 46.39 1kpu s LEU 230 CO 0.08 -1.42 -0.14 0.68 -0.55 0.00 0.00 176.35 175.00 1kpu s VAL 231 N -3.25 2.94 0.57 1.48 -7.23 -1.09 -5.02 120.40 108.79 1kpu s VAL 231 Ca 0.18 -1.71 -0.20 0.00 -1.81 0.00 0.00 61.98 58.44 1kpu s VAL 231 Cb -0.04 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1kpu s VAL 231 CO 0.11 -0.07 1.25 -1.61 -0.31 0.00 0.00 175.10 174.47 1kpu s GLU 232 N -2.65 3.07 0.35 4.82 2.02 -1.26 -4.59 118.70 120.46 1kpu s GLU 232 Ca 0.23 1.94 -0.28 0.00 0.02 0.00 0.00 54.97 56.87 1kpu s GLU 232 Cb -0.09 -2.06 -0.12 0.00 0.10 0.00 0.00 34.13 31.96 1kpu s GLU 232 CO 0.13 -1.16 1.42 2.41 0.02 0.00 0.00 175.26 178.08 1kpu n THR 233 N -1.34 1.85 -3.95 3.63 -1.04 -1.26 -4.87 114.28 107.28 1kpu n THR 233 Ca 0.12 -0.46 -0.10 0.00 -2.04 0.00 0.00 64.05 61.57 1kpu n THR 233 Cb 0.48 -1.79 -0.12 0.00 -1.82 0.00 0.00 70.33 67.08 1kpu n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kpu s ARG 234 N -1.77 0.23 0.40 -2.82 1.70 -0.36 -4.97 118.95 111.37 1kpu s ARG 234 Ca 0.56 -0.45 -0.24 0.00 -0.47 0.00 0.00 55.73 55.13 1kpu s ARG 234 Cb -0.52 0.07 -0.09 0.00 -0.57 0.00 0.00 34.95 33.84 1kpu s ARG 234 CO 0.61 -0.03 1.08 -1.25 -1.08 0.00 0.00 175.30 174.63 1kpu s PRO 235 N -1.06 4.13 -0.08 3.89 0.04 -1.26 -0.84 135.00 139.82 1kpu s PRO 235 Ca -0.11 1.61 0.12 0.00 0.04 0.00 0.00 61.00 62.65 1kpu s PRO 235 Cb -0.07 -2.59 0.30 0.00 0.04 0.00 0.00 34.50 32.17 1kpu s PRO 235 CO -0.01 -0.19 1.22 0.00 0.04 0.00 0.00 177.00 178.06 1kpu n ALA 236 N -0.01 2.38 0.00 8.56 0.00 -0.41 -4.86 120.51 126.18 1kpu n ALA 236 Ca 0.05 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 51.75 1kpu n ALA 236 Cb 0.49 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1kpu n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kpu n GLY 237 N -0.40 0.52 0.28 0.00 0.00 -1.26 -4.87 105.19 99.46 1kpu n GLY 237 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 1kpu n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kpu n ASP 238 N 0.00 1.23 0.00 1.61 5.75 -1.26 -4.98 116.55 118.89 1kpu n ASP 238 Ca 0.00 -2.57 0.00 0.00 -0.01 0.00 0.00 54.79 52.21 1kpu n ASP 238 Cb 0.00 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 1kpu n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kpu n GLY 239 N -0.75 0.75 3.82 6.12 0.00 -1.26 -5.06 105.19 108.81 1kpu n GLY 239 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1kpu n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kpu s THR 240 N -2.57 2.00 0.23 2.61 -4.23 -1.26 -4.90 115.64 107.51 1kpu s THR 240 Ca 0.00 -1.59 0.05 0.00 -1.18 0.00 0.00 61.69 58.96 1kpu s THR 240 Cb 0.00 -2.59 -0.05 0.00 1.34 0.00 0.00 72.50 71.20 1kpu s THR 240 CO 0.00 0.00 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.68 1kpu s PHE 241 N -2.67 1.63 0.09 3.99 0.40 -0.07 -1.28 117.98 120.07 1kpu s PHE 241 Ca 0.36 -0.82 -0.06 0.00 -0.60 0.00 0.00 56.93 55.81 1kpu s PHE 241 Cb 0.00 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.60 1kpu s PHE 241 CO 0.21 0.08 0.13 1.14 0.70 0.00 0.00 175.22 177.48 1kpu s GLN 242 N -3.80 0.83 0.07 0.44 -2.07 -0.02 -2.58 119.66 112.53 1kpu s GLN 242 Ca 0.27 -1.10 -0.22 0.00 -1.82 0.00 0.00 55.36 52.48 1kpu s GLN 242 Cb 0.04 0.30 0.06 0.00 -1.09 0.00 0.00 33.01 32.32 1kpu s GLN 242 CO 0.08 -0.25 0.54 0.21 -1.32 0.00 0.00 175.29 174.55 1kpu s LYS 243 N -3.91 1.09 0.04 9.60 2.20 -0.73 -1.23 119.74 126.81 1kpu s LYS 243 Ca 0.09 -0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 55.39 1kpu s LYS 243 Cb 0.06 0.50 -0.03 0.00 -1.51 0.00 0.00 37.83 36.85 1kpu s LYS 243 CO -0.08 -0.41 -0.02 1.67 -0.36 0.00 0.00 175.35 176.15 1kpu s TRP 244 N -2.77 0.41 -0.07 4.03 1.48 -1.26 -1.08 118.94 119.67 1kpu s TRP 244 Ca -0.03 -0.85 -0.05 0.00 -1.06 0.00 0.00 56.10 54.11 1kpu s TRP 244 Cb -0.00 -0.30 0.03 0.00 -1.16 0.00 0.00 33.47 32.03 1kpu s TRP 244 CO -0.04 -0.32 0.17 0.00 -4.06 0.00 0.00 176.95 172.70 1kpu s ALA 245 N -3.04 -0.39 0.15 2.67 0.00 -0.53 -2.68 121.76 117.94 1kpu s ALA 245 Ca -0.01 0.59 0.06 0.00 0.00 0.00 0.00 51.96 52.60 1kpu s ALA 245 Cb 0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1kpu s ALA 245 CO -0.07 -0.11 -0.13 -1.54 0.00 0.00 0.00 175.76 173.91 1kpu s SER 246 N 0.52 2.13 0.04 0.00 1.04 0.11 -0.87 113.70 116.66 1kpu s SER 246 Ca -0.04 -0.92 0.01 0.00 0.48 0.00 0.00 55.95 55.48 1kpu s SER 246 Cb -0.05 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 1kpu s SER 246 CO -0.02 -0.19 -0.05 0.68 0.98 0.00 0.00 173.24 174.64 1kpu s VAL 247 N -2.64 0.31 -0.22 5.02 -7.23 -0.21 -1.13 120.40 114.28 1kpu s VAL 247 Ca 0.15 -1.18 -0.07 0.00 -1.81 0.00 0.00 61.98 59.08 1kpu s VAL 247 Cb -0.02 -0.66 -0.03 0.00 0.56 0.00 0.00 36.38 36.23 1kpu s VAL 247 CO 0.04 -0.57 0.05 -0.69 -0.31 0.00 0.00 175.10 173.62 1kpu s VAL 248 N -1.96 4.27 0.24 1.32 1.01 -1.26 -0.87 120.40 123.14 1kpu s VAL 248 Ca -0.09 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1kpu s VAL 248 Cb -0.06 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1kpu s VAL 248 CO -0.02 0.38 -0.04 0.68 0.00 0.00 0.00 175.10 176.10 1kpu s VAL 249 N 1.24 1.33 0.36 2.92 -7.23 -0.13 -4.93 120.40 113.96 1kpu s VAL 249 Ca 0.04 -2.08 -0.26 0.00 -1.81 0.00 0.00 61.98 57.87 1kpu s VAL 249 Cb -0.15 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.39 1kpu s VAL 249 CO 0.03 -0.37 1.13 -2.16 -0.31 0.00 0.00 175.10 173.42 1kpu s PRO 250 N -3.79 4.26 0.23 4.82 0.04 -1.26 -0.55 135.00 138.75 1kpu s PRO 250 Ca 0.27 1.78 -0.32 0.00 0.04 0.00 0.00 61.00 62.78 1kpu s PRO 250 Cb 0.04 -2.82 -0.12 0.00 0.04 0.00 0.00 34.50 31.65 1kpu s PRO 250 CO 0.09 -0.12 1.71 -0.11 0.04 0.00 0.00 177.00 178.61 1kpu n LEU 251 N 0.40 4.10 0.00 -3.56 7.94 -0.82 -2.24 117.00 122.83 1kpu n LEU 251 Ca 0.03 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 1kpu n LEU 251 Cb 0.46 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.83 1kpu n LEU 251 CO 0.51 0.20 0.00 0.61 -1.11 0.00 0.00 177.39 177.59 1kpu n GLY 252 N 3.64 1.22 0.59 -3.96 0.00 -1.26 -4.89 105.19 100.53 1kpu n GLY 252 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 1kpu n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kpu n LYS 253 N -2.00 2.37 -0.22 1.61 4.76 -0.95 -4.74 118.16 118.99 1kpu n LYS 253 Ca 0.00 -2.70 -0.01 0.00 -2.87 0.00 0.00 58.31 52.72 1kpu n LYS 253 Cb 0.00 -1.70 0.19 0.00 -1.84 0.00 0.00 35.03 31.69 1kpu n LYS 253 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1kpu h GLU 254 N 1.17 1.01 0.00 1.97 3.07 -1.91 -2.73 114.58 117.16 1kpu h GLU 254 Ca 0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1kpu h GLU 254 Cb 1.25 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 1kpu h GLU 254 CO 0.14 0.74 0.00 0.00 -1.40 0.00 0.00 179.01 178.49 1kpu n GLN 255 N -4.36 0.00 0.00 2.33 10.64 -1.26 -1.82 117.38 122.91 1kpu n GLN 255 Ca 0.07 0.47 0.12 0.00 -1.83 0.00 0.00 57.00 55.83 1kpu n GLN 255 Cb 0.10 -1.50 0.24 0.00 -0.86 0.00 0.00 30.24 28.22 1kpu n GLN 255 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1kpu n TYR 256 N -1.50 0.00 -4.01 2.61 4.02 -1.03 -4.87 117.16 112.38 1kpu n TYR 256 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.54 1kpu n TYR 256 Cb 0.02 -0.16 -0.08 0.00 -0.02 0.00 0.00 39.34 39.11 1kpu n TYR 256 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1kpu s TYR 257 N -2.78 3.40 -0.02 -0.72 1.51 -0.76 -4.33 117.35 113.66 1kpu s TYR 257 Ca 0.16 0.34 0.04 0.00 -1.01 0.00 0.00 57.07 56.60 1kpu s TYR 257 Cb 0.18 -1.95 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1kpu s TYR 257 CO 0.64 0.51 -0.14 0.95 -1.11 0.00 0.00 175.55 176.40 1kpu s THR 258 N -0.57 1.13 -0.07 -0.71 -4.23 -0.83 -4.60 115.64 105.76 1kpu s THR 258 Ca 0.11 -0.60 -0.13 0.00 -1.18 0.00 0.00 61.69 59.89 1kpu s THR 258 Cb -0.12 -0.95 -0.05 0.00 1.34 0.00 0.00 72.50 72.72 1kpu s THR 258 CO 0.02 0.32 0.32 0.00 -0.54 0.00 0.00 174.62 174.75 1kpu s HIS 260 N -0.58 2.49 -0.12 0.00 3.76 -0.01 -1.15 115.29 119.67 1kpu s HIS 260 Ca 0.20 -0.68 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 1kpu s HIS 260 Cb -0.15 -1.62 0.02 0.00 1.11 0.00 0.00 32.58 31.94 1kpu s HIS 260 CO 0.09 -0.19 -0.15 0.08 -0.85 0.00 0.00 174.74 173.72 1kpu s VAL 261 N -0.16 1.54 -0.11 -0.90 1.01 -0.51 -1.58 120.40 119.69 1kpu s VAL 261 Ca -0.03 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1kpu s VAL 261 Cb -0.14 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 1kpu s VAL 261 CO 0.04 0.45 -0.22 -0.31 0.00 0.00 0.00 175.10 175.06 1kpu s TYR 262 N 1.13 2.62 0.03 5.22 1.51 -0.09 -1.35 117.35 126.42 1kpu s TYR 262 Ca -0.03 -1.00 -0.27 0.00 -1.01 0.00 0.00 57.07 54.75 1kpu s TYR 262 Cb -0.14 -1.75 0.07 0.00 -0.11 0.00 0.00 41.96 40.03 1kpu s TYR 262 CO -0.04 -0.40 0.63 -1.58 -1.11 0.00 0.00 175.55 173.05 1kpu s HIS 263 N 0.39 -0.59 0.52 2.71 2.46 -1.26 -1.55 115.29 117.98 1kpu s HIS 263 Ca -0.16 0.79 0.31 0.00 0.47 0.00 0.00 55.06 56.47 1kpu s HIS 263 Cb -0.17 0.45 1.45 0.00 -0.13 0.00 0.00 32.58 34.18 1kpu s HIS 263 CO 0.07 -0.69 1.85 1.96 -2.47 0.00 0.00 174.74 175.47 1kpu h GLN 264 N 2.66 0.05 -0.52 2.88 4.20 -1.94 -1.43 115.11 121.01 1kpu h GLN 264 Ca -0.30 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1kpu h GLN 264 Cb 1.20 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1kpu h GLN 264 CO 0.39 0.03 0.00 0.41 -0.67 0.00 0.00 178.83 178.99 1kpu n GLY 265 N -1.70 1.43 2.90 3.46 0.00 -1.26 -4.68 105.19 105.33 1kpu n GLY 265 Ca 0.21 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1kpu n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kpu s LEU 266 N -1.15 3.89 0.37 0.99 1.43 -0.54 -4.60 118.68 119.08 1kpu s LEU 266 Ca 0.32 -2.59 0.11 0.00 -1.03 0.00 0.00 54.13 50.94 1kpu s LEU 266 Cb 0.18 -1.44 0.88 0.00 0.03 0.00 0.00 46.19 45.85 1kpu s LEU 266 CO 0.19 -0.29 1.87 -0.65 0.23 0.00 0.00 176.35 177.70 1kpu h PRO 267 N 6.98 0.60 -5.38 1.29 0.11 -1.83 -3.36 132.00 130.41 1kpu h PRO 267 Ca -0.06 -0.04 -0.66 0.00 0.11 0.00 0.00 66.00 65.36 1kpu h PRO 267 Cb 0.94 -0.14 -0.33 0.00 0.11 0.00 0.00 31.00 31.59 1kpu h PRO 267 CO 0.58 0.40 -0.87 -1.21 -0.21 0.00 0.00 178.00 176.69 1kpu s GLU 268 N -5.61 2.73 0.69 1.05 2.02 -1.26 -5.12 118.70 113.20 1kpu s GLU 268 Ca -0.09 -0.82 -0.17 0.00 0.02 0.00 0.00 54.97 53.91 1kpu s GLU 268 Cb 0.22 -2.13 -0.00 0.00 0.10 0.00 0.00 34.13 32.32 1kpu s GLU 268 CO 0.79 0.21 1.03 -2.30 0.02 0.00 0.00 175.26 175.00 1kpu n PRO 269 N 3.42 0.66 -3.02 0.39 -0.02 -1.26 -4.97 135.00 130.21 1kpu n PRO 269 Ca -0.19 0.28 -0.37 0.00 -2.02 0.00 0.00 63.50 61.20 1kpu n PRO 269 Cb 0.53 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 1kpu n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1kpu s LEU 270 N -3.20 4.37 -0.11 2.45 1.43 -0.46 -4.88 118.68 118.29 1kpu s LEU 270 Ca 0.76 1.53 0.01 0.00 -1.03 0.00 0.00 54.13 55.40 1kpu s LEU 270 Cb -0.36 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.24 1kpu s LEU 270 CO 0.48 0.03 -0.13 -0.89 0.23 0.00 0.00 176.35 176.07 1kpu s THR 271 N -1.50 1.37 0.12 5.49 2.01 -1.26 -1.42 115.64 120.46 1kpu s THR 271 Ca 0.44 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.90 1kpu s THR 271 Cb -0.18 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1kpu s THR 271 CO 0.22 0.42 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.73 1kpu s LEU 272 N 1.08 2.51 0.07 4.42 1.02 -0.30 -4.97 118.68 122.51 1kpu s LEU 272 Ca -0.05 -1.01 -0.09 0.00 0.02 0.00 0.00 54.13 53.00 1kpu s LEU 272 Cb -0.15 -0.19 0.00 0.00 0.02 0.00 0.00 46.19 45.88 1kpu s LEU 272 CO -0.02 -0.41 0.20 0.00 0.02 0.00 0.00 176.35 176.13 1kpu s ARG 273 N -3.80 0.80 0.00 1.70 1.70 -1.26 -0.74 118.95 117.35 1kpu s ARG 273 Ca 0.14 -0.84 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 1kpu s ARG 273 Cb 0.04 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 1kpu s ARG 273 CO -0.02 -0.25 0.45 1.87 -1.08 0.00 0.00 175.30 176.27