#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 n GLN 2 N 0.00 -2.69 -1.74 -0.52 1.13 -1.26 -4.96 117.38 107.34 1s72 n GLN 2 Ca 0.00 2.25 -0.37 0.00 -1.94 0.00 0.00 57.00 56.95 1s72 n GLN 2 Cb 0.00 -4.01 0.07 0.00 0.11 0.00 0.00 30.24 26.41 1s72 n GLN 2 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1s72 s PRO 3 N -1.03 2.55 0.98 -1.09 0.02 -1.26 -5.00 135.00 130.17 1s72 s PRO 3 Ca -0.06 2.01 -0.12 0.00 0.02 0.00 0.00 61.00 62.85 1s72 s PRO 3 Cb 0.00 -1.85 0.18 0.00 0.02 0.00 0.00 34.50 32.85 1s72 s PRO 3 CO 0.55 -1.58 1.10 -1.12 -0.33 0.00 0.00 177.00 175.62 1s72 s SER 4 N -1.48 2.83 0.00 2.53 0.01 -1.26 -5.08 113.70 111.25 1s72 s SER 4 Ca 0.81 1.20 0.00 0.00 1.31 0.00 0.00 55.95 59.27 1s72 s SER 4 Cb -0.36 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1s72 s SER 4 CO 0.39 -3.01 0.00 -1.14 0.41 0.00 0.00 173.24 169.90 1s72 n ARG 5 N -4.09 0.00 -1.67 12.44 0.63 -1.26 -5.16 116.66 117.55 1s72 n ARG 5 Ca 0.06 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.59 1s72 n ARG 5 Cb 0.57 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.52 1s72 n ARG 5 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1s72 n PRO 6 N -0.01 1.42 -0.70 -0.14 -0.02 -1.26 -4.96 135.00 129.33 1s72 n PRO 6 Ca 0.00 0.52 -0.29 0.00 -2.02 0.00 0.00 63.50 61.71 1s72 n PRO 6 Cb 0.00 -2.31 0.21 0.00 -0.02 0.00 0.00 33.50 31.38 1s72 n PRO 6 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1s72 s ARG 7 N -2.55 0.05 -0.48 -0.52 1.04 -1.26 -4.93 118.95 110.31 1s72 s ARG 7 Ca 0.69 1.07 -0.23 0.00 -1.04 0.00 0.00 55.73 56.23 1s72 s ARG 7 Cb -0.46 -1.65 0.03 0.00 -2.04 0.00 0.00 34.95 30.83 1s72 s ARG 7 CO 0.52 -3.14 0.80 0.15 -0.04 0.00 0.00 175.30 173.58 1s72 s LYS 8 N -4.60 3.36 0.00 3.89 -0.14 -1.26 -4.89 119.74 116.10 1s72 s LYS 8 Ca 0.67 -0.22 0.00 0.00 -1.36 0.00 0.00 55.97 55.06 1s72 s LYS 8 Cb -0.23 -3.98 0.00 0.00 -1.68 0.00 0.00 37.83 31.94 1s72 s LYS 8 CO 0.61 -1.20 0.00 0.41 -0.76 0.00 0.00 175.35 174.41 1s72 n GLY 9 N 5.03 -1.64 3.82 -3.33 0.00 -1.14 -4.83 105.19 103.11 1s72 n GLY 9 Ca 0.01 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 1s72 n GLY 9 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s72 s SER 10 N -3.20 6.96 0.00 1.61 0.15 -1.26 -4.95 113.70 113.00 1s72 s SER 10 Ca 0.00 1.57 0.22 0.00 0.70 0.00 0.00 55.95 58.44 1s72 s SER 10 Cb 0.00 -2.49 0.58 0.00 -1.71 0.00 0.00 66.02 62.40 1s72 s SER 10 CO 0.00 -0.24 1.49 0.18 1.20 0.00 0.00 173.24 175.87 1s72 n LEU 11 N -0.28 3.68 -0.94 3.45 4.32 -1.26 -4.45 117.00 121.52 1s72 n LEU 11 Ca 0.04 -1.78 0.12 0.00 -0.02 0.00 0.00 56.01 54.37 1s72 n LEU 11 Cb 0.53 -0.41 0.26 0.00 -1.62 0.00 0.00 43.42 42.17 1s72 n LEU 11 CO 0.40 0.89 0.72 0.61 -1.22 0.00 0.00 177.39 178.79 1s72 n GLY 12 N 1.59 1.18 1.12 -0.72 0.00 -1.26 -4.31 105.19 102.80 1s72 n GLY 12 Ca 0.23 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 1s72 n GLY 12 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s72 n PHE 13 N 1.11 0.75 -4.34 1.61 3.01 -1.26 -5.06 117.46 113.27 1s72 n PHE 13 Ca 0.18 -1.62 -0.29 0.00 1.01 0.00 0.00 57.45 56.73 1s72 n PHE 13 Cb 0.52 -0.26 -0.05 0.00 -0.01 0.00 0.00 39.48 39.68 1s72 n PHE 13 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1s72 s GLY 14 N -3.25 2.67 0.58 1.37 0.00 -1.26 -4.21 107.32 103.23 1s72 s GLY 14 Ca 0.41 -1.00 -0.19 0.00 0.00 0.00 0.00 44.72 43.94 1s72 s GLY 14 CO -0.05 -2.06 1.17 2.56 0.00 0.00 0.00 173.10 174.72 1s72 s PRO 15 N -4.03 3.07 -1.29 2.90 0.04 -1.26 -5.03 135.00 129.40 1s72 s PRO 15 Ca 0.22 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.81 1s72 s PRO 15 Cb 0.01 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 1s72 s PRO 15 CO 0.13 -1.10 2.10 0.54 0.04 0.00 0.00 177.00 178.70 1s72 n ARG 16 N -1.58 2.58 -4.12 4.56 3.00 -1.26 -4.91 116.66 114.92 1s72 n ARG 16 Ca 0.13 -2.53 -0.26 0.00 -0.01 0.00 0.00 57.85 55.18 1s72 n ARG 16 Cb 0.50 -3.26 -0.06 0.00 0.00 0.00 0.00 32.46 29.65 1s72 n ARG 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1s72 s LYS 17 N 3.81 2.24 0.21 5.56 -2.85 -1.26 -4.32 119.74 123.13 1s72 s LYS 17 Ca 0.51 -1.93 -0.30 0.00 -1.00 0.00 0.00 55.97 53.24 1s72 s LYS 17 Cb 0.12 -1.97 -0.09 0.00 -2.06 0.00 0.00 37.83 33.83 1s72 s LYS 17 CO -0.02 -0.26 1.31 1.03 0.10 0.00 0.00 175.35 177.52 1s72 s ARG 18 N -3.99 4.38 0.43 1.78 0.52 -1.26 -4.68 118.95 116.13 1s72 s ARG 18 Ca 0.36 2.07 -0.26 0.00 -0.52 0.00 0.00 55.73 57.38 1s72 s ARG 18 Cb 0.02 -3.18 -0.08 0.00 0.52 0.00 0.00 34.95 32.22 1s72 s ARG 18 CO 0.20 -0.25 1.38 0.45 0.02 0.00 0.00 175.30 177.10 1s72 s SER 19 N 0.28 6.05 0.18 0.23 0.15 -0.62 -4.95 113.70 115.03 1s72 s SER 19 Ca 0.56 2.81 -0.03 0.00 0.70 0.00 0.00 55.95 60.00 1s72 s SER 19 Cb -0.37 -2.65 0.08 0.00 -1.71 0.00 0.00 66.02 61.37 1s72 s SER 19 CO 0.39 -1.04 1.47 0.74 1.20 0.00 0.00 173.24 176.00 1s72 h THR 20 N 2.37 1.34 -3.89 6.45 2.02 -1.92 -3.44 112.91 115.84 1s72 h THR 20 Ca -0.50 -1.96 -0.58 0.00 0.77 0.00 0.00 66.41 64.13 1s72 h THR 20 Cb 1.26 1.94 -0.31 0.00 -1.74 0.00 0.00 68.15 69.29 1s72 h THR 20 CO 0.62 0.60 -0.85 -0.44 0.37 0.00 0.00 175.52 175.82 1s72 s SER 21 N -6.95 2.31 0.44 4.18 0.01 -1.26 -4.99 113.70 107.44 1s72 s SER 21 Ca -0.07 -0.38 0.25 0.00 1.31 0.00 0.00 55.95 57.06 1s72 s SER 21 Cb 0.11 -0.66 0.78 0.00 0.21 0.00 0.00 66.02 66.46 1s72 s SER 21 CO 0.84 0.16 1.76 -0.08 0.41 0.00 0.00 173.24 176.34 1s72 h GLU 22 N 6.25 0.00 -5.61 12.44 4.81 -2.01 -3.40 114.58 127.06 1s72 h GLU 22 Ca -0.32 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.30 1s72 h GLU 22 Cb 1.18 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.45 1s72 h GLU 22 CO 0.48 0.16 0.27 0.99 -0.73 0.00 0.00 179.01 180.18 1s72 s THR 23 N -3.46 4.92 0.79 0.32 2.01 -1.26 -4.46 115.64 114.49 1s72 s THR 23 Ca 0.03 1.22 -0.14 0.00 0.31 0.00 0.00 61.69 63.10 1s72 s THR 23 Cb 0.08 -4.02 0.06 0.00 0.01 0.00 0.00 72.50 68.63 1s72 s THR 23 CO 0.64 -0.05 1.07 -2.65 -0.69 0.00 0.00 174.62 172.94 1s72 n PRO 24 N 5.87 0.25 -3.73 4.92 -0.02 -1.26 -5.04 135.00 136.00 1s72 n PRO 24 Ca 0.01 0.16 -0.29 0.00 -2.02 0.00 0.00 63.50 61.36 1s72 n PRO 24 Cb 0.48 -2.33 -0.16 0.00 -0.02 0.00 0.00 33.50 31.48 1s72 n PRO 24 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1s72 s ARG 25 N -3.83 0.69 0.35 -0.52 1.81 -1.26 -5.02 118.95 111.17 1s72 s ARG 25 Ca 0.72 -0.78 -0.29 0.00 -1.72 0.00 0.00 55.73 53.66 1s72 s ARG 25 Cb -0.30 -1.99 -0.11 0.00 -0.45 0.00 0.00 34.95 32.10 1s72 s ARG 25 CO 0.52 -0.84 1.54 -0.06 -0.68 0.00 0.00 175.30 175.77 1s72 s PHE 26 N 1.74 2.62 -1.14 -0.53 0.40 -1.26 -4.90 117.98 114.91 1s72 s PHE 26 Ca 0.05 1.00 0.15 0.00 -0.60 0.00 0.00 56.93 57.53 1s72 s PHE 26 Cb -0.17 -4.06 0.47 0.00 0.51 0.00 0.00 43.02 39.76 1s72 s PHE 26 CO -0.19 -3.30 1.39 0.27 0.70 0.00 0.00 175.22 174.09 1s72 n ASN 27 N 1.10 3.53 -3.59 1.36 2.04 -1.26 -4.97 115.26 113.48 1s72 n ASN 27 Ca 0.04 -2.16 -0.16 0.00 -0.44 0.00 0.00 54.58 51.86 1s72 n ASN 27 Cb 0.38 -0.37 -0.06 0.00 -2.53 0.00 0.00 39.78 37.20 1s72 n ASN 27 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1s72 s SER 28 N -1.08 -0.50 0.16 0.53 0.01 -1.26 -5.19 113.70 106.38 1s72 s SER 28 Ca 0.35 0.44 0.06 0.00 1.31 0.00 0.00 55.95 58.11 1s72 s SER 28 Cb 0.20 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.86 1s72 s SER 28 CO 0.21 -0.60 -0.12 0.26 0.41 0.00 0.00 173.24 173.40 1s72 s TRP 29 N -1.52 1.45 1.19 2.43 0.52 -1.26 -5.09 118.94 116.66 1s72 s TRP 29 Ca -0.10 -0.65 -0.13 0.00 0.02 0.00 0.00 56.10 55.23 1s72 s TRP 29 Cb -0.01 -0.71 0.29 0.00 -1.15 0.00 0.00 33.47 31.89 1s72 s TRP 29 CO 0.06 0.20 1.02 -2.14 0.02 0.00 0.00 176.95 176.10 1s72 s PRO 30 N -3.52 -1.12 0.31 4.98 0.02 -1.26 -4.99 135.00 129.42 1s72 s PRO 30 Ca 0.17 0.73 -0.13 0.00 0.02 0.00 0.00 61.00 61.80 1s72 s PRO 30 Cb 0.00 -1.54 -0.08 0.00 0.02 0.00 0.00 34.50 32.90 1s72 s PRO 30 CO 0.03 -3.83 0.69 -1.54 -0.33 0.00 0.00 177.00 172.03 1s72 s SER 31 N -2.61 6.68 -1.22 2.53 1.04 -1.26 -4.98 113.70 113.88 1s72 s SER 31 Ca 0.68 1.15 -0.20 0.00 0.48 0.00 0.00 55.95 58.06 1s72 s SER 31 Cb -0.24 -2.32 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 1s72 s SER 31 CO 0.64 -0.21 1.87 0.47 0.98 0.00 0.00 173.24 177.00 1s72 n ASP 32 N -0.50 3.86 0.00 7.02 8.00 -1.26 -4.75 116.55 128.91 1s72 n ASP 32 Ca 0.02 -2.80 0.00 0.00 0.71 0.00 0.00 54.79 52.73 1s72 n ASP 32 Cb 0.53 -1.69 0.00 0.00 -0.02 0.00 0.00 41.12 39.94 1s72 n ASP 32 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1s72 n ASP 33 N 10.79 0.00 -2.87 -2.24 -0.08 -1.26 -4.85 116.55 116.04 1s72 n ASP 33 Ca 0.47 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 1s72 n ASP 33 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 1s72 n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s72 n GLY 34 N 3.02 -2.40 3.78 0.27 0.00 -1.26 -4.59 105.19 104.01 1s72 n GLY 34 Ca 0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 1s72 n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s72 s GLN 35 N 0.00 2.50 0.49 1.61 -0.21 -1.26 -2.99 119.66 119.80 1s72 s GLN 35 Ca 0.00 1.11 -0.23 0.00 0.02 0.00 0.00 55.36 56.26 1s72 s GLN 35 Cb 0.00 -1.93 -0.08 0.00 1.00 0.00 0.00 33.01 32.01 1s72 s GLN 35 CO 0.00 -1.45 1.16 -2.30 -2.12 0.00 0.00 175.29 170.58 1s72 n PRO 36 N -3.35 1.51 0.00 2.91 -0.02 -1.26 -4.46 135.00 130.33 1s72 n PRO 36 Ca 0.09 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1s72 n PRO 36 Cb 0.53 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1s72 n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s72 n GLY 37 N 0.99 1.13 3.76 -1.23 0.00 -0.05 -4.90 105.19 104.87 1s72 n GLY 37 Ca 0.10 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1s72 n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s72 s VAL 38 N -2.00 2.41 -0.64 1.61 1.01 -1.26 -2.47 120.40 119.06 1s72 s VAL 38 Ca 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1s72 s VAL 38 Cb 0.00 -3.24 0.42 0.00 0.00 0.00 0.00 36.38 33.56 1s72 s VAL 38 CO 0.00 0.07 2.04 0.00 0.00 0.00 0.00 175.10 177.21 1s72 n GLN 39 N 1.68 2.60 0.00 2.72 6.02 -0.14 -4.91 117.38 125.35 1s72 n GLN 39 Ca 0.05 -3.12 0.00 0.00 -0.01 0.00 0.00 57.00 53.92 1s72 n GLN 39 Cb 0.40 -2.22 0.00 0.00 1.02 0.00 0.00 30.24 29.44 1s72 n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s72 n GLY 40 N -0.76 0.86 3.78 1.08 0.00 -1.26 -4.31 105.19 104.58 1s72 n GLY 40 Ca 0.59 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 45.64 1s72 n GLY 40 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1s72 s PHE 41 N -2.00 -0.21 0.17 1.61 5.36 -0.62 -4.98 117.98 117.30 1s72 s PHE 41 Ca 0.00 -0.17 0.01 0.00 -0.96 0.00 0.00 56.93 55.81 1s72 s PHE 41 Cb 0.00 0.67 -0.04 0.00 -0.34 0.00 0.00 43.02 43.31 1s72 s PHE 41 CO 0.00 -1.08 0.01 0.00 -1.46 0.00 0.00 175.22 172.70 1s72 s ALA 42 N -3.72 1.26 0.28 11.12 0.00 -1.26 0.47 121.76 129.91 1s72 s ALA 42 Ca 0.10 -1.57 -0.19 0.00 0.00 0.00 0.00 51.96 50.30 1s72 s ALA 42 Cb -0.04 0.62 0.07 0.00 0.00 0.00 0.00 23.12 23.76 1s72 s ALA 42 CO 0.03 -0.35 0.92 0.20 0.00 0.00 0.00 175.76 176.56 1s72 s GLY 43 N -3.15 0.24 -0.11 0.00 0.00 -0.80 -4.67 107.32 98.83 1s72 s GLY 43 Ca 0.24 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.44 1s72 s GLY 43 CO 0.04 1.11 -0.19 -0.19 0.00 0.00 0.00 173.10 173.86 1s72 s TYR 44 N -2.23 2.66 0.39 1.90 1.51 0.10 -0.99 117.35 120.70 1s72 s TYR 44 Ca 0.19 -0.82 -0.27 0.00 -1.01 0.00 0.00 57.07 55.15 1s72 s TYR 44 Cb -0.04 -1.75 -0.09 0.00 -0.11 0.00 0.00 41.96 39.96 1s72 s TYR 44 CO 0.08 -0.30 1.38 0.21 -1.11 0.00 0.00 175.55 175.81 1s72 s LYS 45 N 0.27 4.01 0.00 -0.62 2.20 -0.77 -1.03 119.74 123.80 1s72 s LYS 45 Ca -0.13 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 1s72 s LYS 45 Cb -0.17 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 1s72 s LYS 45 CO 0.07 -0.52 0.00 0.00 -0.36 0.00 0.00 175.35 174.54 1s72 n ALA 46 N 0.26 2.75 0.00 3.13 0.00 -0.57 -0.33 120.51 125.75 1s72 n ALA 46 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1s72 n ALA 46 Cb 0.42 0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.32 1s72 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s72 n GLY 47 N 2.98 -0.87 3.16 0.00 0.00 -1.17 -4.76 105.19 104.52 1s72 n GLY 47 Ca 0.00 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 1s72 n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s72 s MET 48 N -1.40 0.78 0.35 1.61 -1.94 -1.26 0.31 119.30 117.76 1s72 s MET 48 Ca 0.00 -1.02 -0.10 0.00 -1.71 0.00 0.00 55.69 52.86 1s72 s MET 48 Cb 0.00 -0.60 0.04 0.00 2.01 0.00 0.00 34.83 36.28 1s72 s MET 48 CO 0.00 0.11 0.64 0.25 -0.01 0.00 0.00 175.02 176.01 1s72 n THR 49 N 0.97 0.00 -4.48 2.05 -2.24 -0.75 -4.96 114.28 104.87 1s72 n THR 49 Ca -0.19 -1.15 -0.24 0.00 -2.27 0.00 0.00 64.05 60.21 1s72 n THR 49 Cb 0.56 0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 69.63 1s72 n THR 49 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1s72 s HIS 50 N -2.84 2.18 0.03 4.78 -3.43 -1.26 -0.78 115.29 113.97 1s72 s HIS 50 Ca 0.18 -0.56 0.01 0.00 -0.80 0.00 0.00 55.06 53.90 1s72 s HIS 50 Cb -0.03 -1.20 -0.02 0.00 -1.43 0.00 0.00 32.58 29.90 1s72 s HIS 50 CO 0.14 0.48 -0.05 0.54 -2.00 0.00 0.00 174.74 173.84 1s72 s VAL 51 N -2.77 0.28 -0.18 -5.38 0.11 -0.27 -1.75 120.40 110.43 1s72 s VAL 51 Ca 0.30 -1.04 -0.12 0.00 -2.93 0.00 0.00 61.98 58.19 1s72 s VAL 51 Cb 0.02 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.34 1s72 s VAL 51 CO 0.14 -0.50 0.23 -0.69 -3.33 0.00 0.00 175.10 170.95 1s72 s VAL 52 N -1.62 5.34 0.28 2.04 1.01 0.17 -0.58 120.40 127.04 1s72 s VAL 52 Ca -0.12 0.40 0.09 0.00 0.00 0.00 0.00 61.98 62.35 1s72 s VAL 52 Cb -0.09 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1s72 s VAL 52 CO -0.01 0.40 -0.14 -0.76 0.00 0.00 0.00 175.10 174.59 1s72 s LEU 53 N 0.53 2.59 -0.22 3.92 1.02 0.17 -1.26 118.68 125.43 1s72 s LEU 53 Ca 0.13 -1.09 -0.16 0.00 0.02 0.00 0.00 54.13 53.02 1s72 s LEU 53 Cb -0.12 -0.89 -0.04 0.00 0.02 0.00 0.00 46.19 45.16 1s72 s LEU 53 CO 0.02 -0.13 0.41 -0.69 0.02 0.00 0.00 176.35 175.97 1s72 s VAL 54 N -2.74 5.18 -0.36 -1.59 1.01 -0.96 -0.79 120.40 120.15 1s72 s VAL 54 Ca 0.29 0.71 -0.38 0.00 0.00 0.00 0.00 61.98 62.59 1s72 s VAL 54 Cb -0.01 -3.74 -0.14 0.00 0.00 0.00 0.00 36.38 32.50 1s72 s VAL 54 CO 0.13 0.22 2.10 -3.20 0.00 0.00 0.00 175.10 174.35 1s72 n ASN 55 N 4.73 1.91 0.06 3.32 2.85 0.81 -4.67 115.26 124.27 1s72 n ASN 55 Ca -0.08 0.58 0.03 0.00 -0.11 0.00 0.00 54.58 55.01 1s72 n ASN 55 Cb 0.51 -1.17 -0.05 0.00 1.24 0.00 0.00 39.78 40.31 1s72 n ASN 55 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 1s72 h ASP 56 N 10.81 0.00 -2.29 1.20 1.82 -1.92 0.22 116.42 126.26 1s72 h ASP 56 Ca -0.27 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 55.81 1s72 h ASP 56 Cb 1.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.35 1s72 h ASP 56 CO 1.02 0.41 1.31 -0.70 -1.61 0.00 0.00 179.24 179.68 1s72 s GLU 57 N -3.05 3.70 0.56 0.28 2.12 -1.26 -4.89 118.70 116.16 1s72 s GLU 57 Ca -0.02 2.23 0.33 0.00 0.36 0.00 0.00 54.97 57.88 1s72 s GLU 57 Cb 0.09 -4.22 1.66 0.00 0.26 0.00 0.00 34.13 31.92 1s72 s GLU 57 CO 0.80 -1.45 2.12 -1.00 -0.54 0.00 0.00 175.26 175.19 1s72 h PRO 58 N 12.31 0.00 -0.05 4.30 0.13 -1.99 -2.63 132.00 144.06 1s72 h PRO 58 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1s72 h PRO 58 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1s72 h PRO 58 CO 0.96 0.06 0.00 0.09 -0.23 0.00 0.00 178.00 178.88 1s72 n ASN 59 N -3.34 2.84 -4.72 1.44 3.02 -1.26 -4.93 115.26 108.31 1s72 n ASN 59 Ca -0.01 -1.94 -0.39 0.00 -0.03 0.00 0.00 54.58 52.20 1s72 n ASN 59 Cb 0.22 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.33 1s72 n ASN 59 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1s72 s SER 60 N -1.97 6.97 0.00 6.41 0.15 -0.99 -4.90 113.70 119.36 1s72 s SER 60 Ca 0.30 1.16 0.03 0.00 0.70 0.00 0.00 55.95 58.13 1s72 s SER 60 Cb 0.20 -2.40 0.13 0.00 -1.71 0.00 0.00 66.02 62.25 1s72 s SER 60 CO 0.30 -0.08 0.87 -2.65 1.20 0.00 0.00 173.24 172.88 1s72 n PRO 61 N 3.65 0.04 -0.06 5.44 -0.02 -1.26 -0.54 135.00 142.26 1s72 n PRO 61 Ca -0.02 0.23 0.04 0.00 -2.02 0.00 0.00 63.50 61.73 1s72 n PRO 61 Cb 0.51 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.57 1s72 n PRO 61 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1s72 n ARG 62 N -1.25 1.39 -1.65 -0.52 1.74 -1.26 -5.03 116.66 110.07 1s72 n ARG 62 Ca 0.01 -1.42 -0.52 0.00 -0.77 0.00 0.00 57.85 55.16 1s72 n ARG 62 Cb 0.02 -1.19 -0.06 0.00 -1.02 0.00 0.00 32.46 30.21 1s72 n ARG 62 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1s72 n GLU 63 N 0.41 1.49 0.00 5.56 0.28 0.30 -0.83 120.64 127.85 1s72 n GLU 63 Ca 0.07 0.54 0.00 0.00 -0.16 0.00 0.00 57.16 57.61 1s72 n GLU 63 Cb 0.29 -2.25 0.00 0.00 1.43 0.00 0.00 31.44 30.92 1s72 n GLU 63 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1s72 n GLY 64 N 3.40 2.07 3.92 -1.84 0.00 0.76 -4.92 105.19 108.58 1s72 n GLY 64 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 1s72 n GLY 64 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s72 s MET 65 N -0.80 3.50 0.93 1.61 -1.94 -0.01 -4.54 119.30 118.06 1s72 s MET 65 Ca 0.00 -0.07 -0.11 0.00 -1.71 0.00 0.00 55.69 53.81 1s72 s MET 65 Cb 0.00 -2.51 0.14 0.00 2.01 0.00 0.00 34.83 34.46 1s72 s MET 65 CO 0.00 -0.05 1.03 0.39 -0.01 0.00 0.00 175.02 176.38 1s72 n GLU 66 N -2.04 -0.50 -3.52 2.03 -0.58 -1.26 -0.13 120.64 114.63 1s72 n GLU 66 Ca -0.02 -0.08 -0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1s72 n GLU 66 Cb 0.56 -2.29 -0.05 0.00 -0.57 0.00 0.00 31.44 29.08 1s72 n GLU 66 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1s72 s GLU 67 N -4.47 0.29 -0.03 3.49 2.12 0.03 -4.70 118.70 115.44 1s72 s GLU 67 Ca 0.65 0.60 -0.27 0.00 0.36 0.00 0.00 54.97 56.32 1s72 s GLU 67 Cb -0.23 0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.34 1s72 s GLU 67 CO 0.60 -0.08 0.85 0.99 -0.54 0.00 0.00 175.26 177.07 1s72 s THR 68 N 1.79 4.95 -0.03 -1.70 2.01 -1.26 0.44 115.64 121.83 1s72 s THR 68 Ca -0.06 1.76 0.01 0.00 0.31 0.00 0.00 61.69 63.72 1s72 s THR 68 Cb -0.04 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.30 1s72 s THR 68 CO -0.15 0.21 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.26 1s72 s VAL 69 N 0.88 0.44 0.36 3.82 1.01 0.25 -4.96 120.40 122.19 1s72 s VAL 69 Ca 0.45 -0.10 -0.26 0.00 0.00 0.00 0.00 61.98 62.07 1s72 s VAL 69 Cb -0.19 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 35.63 1s72 s VAL 69 CO 0.23 0.19 1.13 -2.84 0.00 0.00 0.00 175.10 173.81 1s72 s PRO 70 N 0.75 4.28 -0.00 2.72 0.02 -1.26 -1.12 135.00 140.39 1s72 s PRO 70 Ca -0.09 1.78 -0.02 0.00 0.02 0.00 0.00 61.00 62.69 1s72 s PRO 70 Cb -0.12 -2.83 -0.00 0.00 0.02 0.00 0.00 34.50 31.56 1s72 s PRO 70 CO -0.00 -0.11 0.05 0.08 -0.33 0.00 0.00 177.00 176.69 1s72 s VAL 71 N -1.37 0.05 -0.22 3.83 1.01 0.04 -0.81 120.40 122.93 1s72 s VAL 71 Ca 0.53 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 1s72 s VAL 71 Cb -0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 1s72 s VAL 71 CO 0.38 -0.24 0.01 -0.89 0.00 0.00 0.00 175.10 174.36 1s72 s THR 72 N -0.75 3.93 -0.12 3.92 2.01 0.04 -1.81 115.64 122.86 1s72 s THR 72 Ca -0.08 -0.31 -0.28 0.00 0.31 0.00 0.00 61.69 61.32 1s72 s THR 72 Cb -0.05 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 1s72 s THR 72 CO 0.00 0.40 0.96 -0.69 -0.69 0.00 0.00 174.62 174.60 1s72 s VAL 73 N 1.30 4.80 -0.13 3.82 1.01 0.15 -1.65 120.40 129.70 1s72 s VAL 73 Ca 0.04 1.94 0.01 0.00 0.00 0.00 0.00 61.98 63.97 1s72 s VAL 73 Cb -0.15 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 31.98 1s72 s VAL 73 CO 0.01 0.01 -0.14 -0.63 0.00 0.00 0.00 175.10 174.35 1s72 s ILE 74 N 2.07 1.52 -0.26 2.22 1.01 -0.36 -1.52 121.20 125.88 1s72 s ILE 74 Ca 0.46 -0.62 -0.29 0.00 0.00 0.00 0.00 60.65 60.20 1s72 s ILE 74 Cb -0.18 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 1s72 s ILE 74 CO 0.16 0.45 1.37 -1.61 0.00 0.00 0.00 174.94 175.31 1s72 s GLU 75 N 1.33 3.94 -0.65 2.79 2.02 -0.20 -0.83 118.70 127.10 1s72 s GLU 75 Ca 0.01 1.42 0.05 0.00 0.02 0.00 0.00 54.97 56.46 1s72 s GLU 75 Cb -0.13 -3.90 0.30 0.00 0.10 0.00 0.00 34.13 30.50 1s72 s GLU 75 CO -0.08 -1.09 0.94 0.25 0.02 0.00 0.00 175.26 175.31 1s72 n THR 76 N 6.11 3.08 -0.72 3.63 -2.24 -0.11 -0.72 114.28 123.31 1s72 n THR 76 Ca 0.15 -5.49 -0.29 0.00 -2.27 0.00 0.00 64.05 56.16 1s72 n THR 76 Cb 0.46 -1.71 0.24 0.00 -2.10 0.00 0.00 70.33 67.22 1s72 n THR 76 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1s72 s PRO 77 N -3.11 -1.07 0.56 -0.78 0.02 -1.25 -4.55 135.00 124.83 1s72 s PRO 77 Ca 0.44 0.52 -0.20 0.00 0.02 0.00 0.00 61.00 61.79 1s72 s PRO 77 Cb 0.21 -1.56 -0.04 0.00 0.02 0.00 0.00 34.50 33.13 1s72 s PRO 77 CO -0.08 -3.74 1.22 -2.14 -0.33 0.00 0.00 177.00 171.93 1s72 s PRO 78 N -4.77 3.13 0.17 5.54 0.02 -1.26 -4.76 135.00 133.06 1s72 s PRO 78 Ca 0.68 1.87 0.01 0.00 0.02 0.00 0.00 61.00 63.58 1s72 s PRO 78 Cb -0.20 -2.05 0.01 0.00 0.02 0.00 0.00 34.50 32.28 1s72 s PRO 78 CO 0.61 -1.09 0.08 -1.33 -0.33 0.00 0.00 177.00 174.95 1s72 n MET 79 N -1.33 1.37 -3.55 5.54 2.81 -0.51 -4.43 117.12 117.02 1s72 n MET 79 Ca 0.12 -1.09 -0.18 0.00 -1.81 0.00 0.00 57.70 54.74 1s72 n MET 79 Cb 0.49 0.18 -0.14 0.00 -0.71 0.00 0.00 33.22 33.04 1s72 n MET 79 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1s72 s ARG 80 N -2.65 0.15 -0.66 0.03 0.52 -0.88 -2.20 118.95 113.25 1s72 s ARG 80 Ca 0.06 0.30 -0.27 0.00 -0.52 0.00 0.00 55.73 55.30 1s72 s ARG 80 Cb -0.01 -0.97 0.01 0.00 0.52 0.00 0.00 34.95 34.50 1s72 s ARG 80 CO 0.04 -0.56 1.51 0.00 0.02 0.00 0.00 175.30 176.31 1s72 s ALA 81 N 2.32 2.56 -2.30 2.13 0.00 -0.43 -2.80 121.76 123.24 1s72 s ALA 81 Ca 0.05 -0.98 0.28 0.00 0.00 0.00 0.00 51.96 51.31 1s72 s ALA 81 Cb -0.15 -4.24 1.09 0.00 0.00 0.00 0.00 23.12 19.82 1s72 s ALA 81 CO -0.10 -3.43 1.77 0.28 0.00 0.00 0.00 175.76 174.27 1s72 n VAL 82 N 6.76 0.00 -3.57 0.00 0.31 0.09 -3.73 118.33 118.19 1s72 n VAL 82 Ca 0.11 -0.20 -0.06 0.00 -0.01 0.00 0.00 64.34 64.18 1s72 n VAL 82 Cb 0.50 0.37 -0.03 0.00 -0.91 0.00 0.00 33.84 33.77 1s72 n VAL 82 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s72 s ALA 83 N -2.10 -1.99 -0.28 3.52 0.00 -1.18 -3.57 121.76 116.17 1s72 s ALA 83 Ca 0.36 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.79 1s72 s ALA 83 Cb 0.21 -0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.21 1s72 s ALA 83 CO 0.37 -0.55 -0.06 -1.17 0.00 0.00 0.00 175.76 174.36 1s72 s LEU 84 N -2.00 3.63 0.01 0.00 1.98 -0.39 -0.33 118.68 121.58 1s72 s LEU 84 Ca 0.06 -1.31 -0.12 0.00 -2.89 0.00 0.00 54.13 49.87 1s72 s LEU 84 Cb -0.01 -1.63 -0.05 0.00 0.66 0.00 0.00 46.19 45.16 1s72 s LEU 84 CO -0.05 -0.22 0.37 -0.60 -1.89 0.00 0.00 176.35 173.96 1s72 s ARG 85 N 1.18 3.81 -0.06 1.98 3.52 0.80 -1.44 118.95 128.75 1s72 s ARG 85 Ca -0.07 0.28 0.05 0.00 -0.13 0.00 0.00 55.73 55.86 1s72 s ARG 85 Cb -0.20 -3.15 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1s72 s ARG 85 CO -0.03 0.66 -0.22 0.00 -0.81 0.00 0.00 175.30 174.90 1s72 s ALA 86 N -1.17 2.31 0.14 6.12 0.00 -0.33 -2.15 121.76 126.68 1s72 s ALA 86 Ca 0.25 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.24 1s72 s ALA 86 Cb -0.15 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1s72 s ALA 86 CO 0.14 0.45 0.03 0.71 0.00 0.00 0.00 175.76 177.09 1s72 s TYR 87 N -0.30 2.97 -0.01 0.00 1.51 -1.18 0.16 117.35 120.50 1s72 s TYR 87 Ca 0.01 -0.07 0.07 0.00 -1.01 0.00 0.00 57.07 56.06 1s72 s TYR 87 Cb -0.13 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.24 1s72 s TYR 87 CO 0.02 0.51 -0.21 -1.83 -1.11 0.00 0.00 175.55 172.93 1s72 s GLU 88 N -2.76 1.69 0.12 -0.62 -1.05 -0.19 0.21 118.70 116.10 1s72 s GLU 88 Ca 0.28 -0.76 -0.30 0.00 -0.15 0.00 0.00 54.97 54.04 1s72 s GLU 88 Cb -0.10 -1.64 -0.06 0.00 -0.44 0.00 0.00 34.13 31.88 1s72 s GLU 88 CO 0.20 0.45 1.10 -0.51 0.95 0.00 0.00 175.26 177.45 1s72 s ASP 89 N -0.52 7.25 0.18 0.83 1.01 0.21 -2.45 116.67 123.17 1s72 s ASP 89 Ca 0.08 1.99 -0.03 0.00 0.71 0.00 0.00 52.55 55.30 1s72 s ASP 89 Cb -0.08 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.23 1s72 s ASP 89 CO -0.01 -0.28 0.17 0.42 0.21 0.00 0.00 175.17 175.68 1s72 s THR 90 N 0.30 0.04 -1.25 -1.27 -4.23 -0.82 -4.94 115.64 103.47 1s72 s THR 90 Ca 0.52 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1s72 s THR 90 Cb -0.28 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1s72 s THR 90 CO 0.32 -0.19 0.89 -2.65 -0.54 0.00 0.00 174.62 172.45 1s72 n PRO 91 N -0.22 0.00 -1.36 3.99 -0.02 -1.26 -1.56 135.00 134.57 1s72 n PRO 91 Ca -0.02 0.37 -0.08 0.00 -2.02 0.00 0.00 63.50 61.75 1s72 n PRO 91 Cb 0.64 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.73 1s72 n PRO 91 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1s72 n TYR 92 N -1.38 1.29 -3.03 6.00 4.02 -1.26 -5.10 117.16 117.70 1s72 n TYR 92 Ca 0.00 -1.81 0.00 0.00 -0.01 0.00 0.00 57.90 56.08 1s72 n TYR 92 Cb 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.04 1s72 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s72 n GLY 93 N -0.85 -1.69 3.83 2.72 0.00 -0.60 -4.91 105.19 103.69 1s72 n GLY 93 Ca 0.29 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 1s72 n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s72 s GLN 94 N 0.00 4.11 -0.01 1.61 -0.21 -1.26 -1.95 119.66 121.94 1s72 s GLN 94 Ca 0.00 0.73 -0.01 0.00 0.02 0.00 0.00 55.36 56.11 1s72 s GLN 94 Cb 0.00 -2.68 0.00 0.00 1.00 0.00 0.00 33.01 31.33 1s72 s GLN 94 CO 0.00 0.30 0.02 1.03 -2.12 0.00 0.00 175.29 174.52 1s72 s ARG 95 N -2.44 0.02 0.26 2.91 0.52 -1.03 -4.95 118.95 114.26 1s72 s ARG 95 Ca 0.48 0.04 -0.31 0.00 -0.52 0.00 0.00 55.73 55.42 1s72 s ARG 95 Cb -0.14 -0.01 -0.12 0.00 0.52 0.00 0.00 34.95 35.21 1s72 s ARG 95 CO 0.19 -0.02 1.60 -2.30 0.02 0.00 0.00 175.30 174.80 1s72 n PRO 96 N 3.15 2.63 -0.03 3.54 -0.02 -1.26 -1.02 135.00 141.98 1s72 n PRO 96 Ca -0.13 0.94 -0.03 0.00 -2.02 0.00 0.00 63.50 62.26 1s72 n PRO 96 Cb 0.59 -2.72 -0.01 0.00 -0.02 0.00 0.00 33.50 31.34 1s72 n PRO 96 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1s72 n LEU 97 N 2.59 0.74 -3.90 2.45 0.00 0.43 -4.83 117.00 114.48 1s72 n LEU 97 Ca 0.11 0.29 -0.11 0.00 0.00 0.00 0.00 56.01 56.30 1s72 n LEU 97 Cb 0.35 -0.63 0.00 0.00 0.00 0.00 0.00 43.42 43.15 1s72 n LEU 97 CO 0.64 -0.46 0.40 -0.89 0.00 0.00 0.00 177.39 177.08 1s72 s THR 98 N -1.61 0.00 0.01 1.96 2.01 -1.21 -5.00 115.64 111.80 1s72 s THR 98 Ca -0.08 -1.20 0.00 0.00 0.31 0.00 0.00 61.69 60.72 1s72 s THR 98 Cb 0.01 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 1s72 s THR 98 CO 0.12 0.00 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.42 1s72 s GLU 99 N -2.58 0.19 -0.29 4.92 2.02 -1.26 -1.19 118.70 120.51 1s72 s GLU 99 Ca 0.20 -0.33 -0.04 0.00 0.02 0.00 0.00 54.97 54.83 1s72 s GLU 99 Cb -0.04 0.00 0.03 0.00 0.10 0.00 0.00 34.13 34.23 1s72 s GLU 99 CO 0.14 -0.01 0.02 0.08 0.02 0.00 0.00 175.26 175.51 1s72 s VAL 100 N -0.73 3.29 0.50 2.63 1.01 -0.52 -4.79 120.40 121.78 1s72 s VAL 100 Ca -0.07 -1.11 0.08 0.00 0.00 0.00 0.00 61.98 60.88 1s72 s VAL 100 Cb -0.05 -2.79 0.04 0.00 0.00 0.00 0.00 36.38 33.58 1s72 s VAL 100 CO -0.00 0.00 0.60 0.26 0.00 0.00 0.00 175.10 175.96 1s72 s TRP 101 N 1.35 2.06 0.00 5.22 0.52 -1.26 -1.26 118.94 125.57 1s72 s TRP 101 Ca -0.02 -0.61 0.00 0.00 0.02 0.00 0.00 56.10 55.49 1s72 s TRP 101 Cb -0.18 -2.21 0.00 0.00 -1.15 0.00 0.00 33.47 29.93 1s72 s TRP 101 CO -0.01 -0.67 0.00 0.25 0.02 0.00 0.00 176.95 176.55 1s72 n THR 102 N -1.94 0.00 0.00 2.01 -2.24 -1.23 -4.81 114.28 106.06 1s72 n THR 102 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1s72 n THR 102 Cb 0.61 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1s72 n THR 102 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1s72 n ASP 103 N -0.47 4.25 -4.58 3.42 8.00 -1.26 -4.98 116.55 120.93 1s72 n ASP 103 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1s72 n ASP 103 Cb 0.00 0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 1s72 n ASP 103 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1s72 s GLU 104 N -1.82 3.61 0.08 -1.24 2.02 -1.26 -5.02 118.70 115.07 1s72 s GLU 104 Ca 0.00 0.34 0.09 0.00 0.02 0.00 0.00 54.97 55.42 1s72 s GLU 104 Cb 0.00 -3.93 -0.03 0.00 0.10 0.00 0.00 34.13 30.26 1s72 s GLU 104 CO 0.00 -1.36 -0.22 -0.06 0.02 0.00 0.00 175.26 173.65 1s72 s PHE 105 N 4.21 2.45 0.22 1.61 0.40 -1.26 -4.94 117.98 120.67 1s72 s PHE 105 Ca 0.42 -0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 56.13 1s72 s PHE 105 Cb -0.08 -1.37 -0.09 0.00 0.51 0.00 0.00 43.02 41.98 1s72 s PHE 105 CO 0.29 0.27 1.38 -1.58 0.70 0.00 0.00 175.22 176.28 1s72 s HIS 106 N -0.98 3.13 0.35 0.36 5.65 -1.26 -4.86 115.29 117.68 1s72 s HIS 106 Ca 0.15 1.11 0.28 0.00 0.25 0.00 0.00 55.06 56.84 1s72 s HIS 106 Cb -0.10 -3.72 1.16 0.00 -1.18 0.00 0.00 32.58 28.74 1s72 s HIS 106 CO 0.06 -2.33 1.17 -1.13 -0.65 0.00 0.00 174.74 171.86 1s72 n SER 107 N 2.50 0.12 -0.97 9.88 3.41 -1.26 -1.51 113.62 125.79 1s72 n SER 107 Ca 0.07 0.97 -0.02 0.00 -0.26 0.00 0.00 58.87 59.63 1s72 n SER 107 Cb 0.41 -0.48 0.16 0.00 -0.26 0.00 0.00 64.21 64.04 1s72 n SER 107 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s72 n GLU 108 N -4.01 2.09 0.18 4.33 1.02 -1.26 -4.61 120.64 118.37 1s72 n GLU 108 Ca 0.31 -3.52 0.14 0.00 -0.02 0.00 0.00 57.16 54.07 1s72 n GLU 108 Cb 1.26 -1.77 0.43 0.00 -0.02 0.00 0.00 31.44 31.33 1s72 n GLU 108 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1s72 h LEU 109 N 1.30 0.00 0.00 -4.62 5.85 -1.63 -2.98 115.31 113.23 1s72 h LEU 109 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1s72 h LEU 109 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1s72 h LEU 109 CO 0.19 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.39 1s72 n ASP 110 N -2.69 0.00 0.05 1.25 5.75 -1.26 -1.58 116.55 118.07 1s72 n ASP 110 Ca 0.03 -1.66 0.12 0.00 -0.01 0.00 0.00 54.79 53.27 1s72 n ASP 110 Cb 0.38 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.71 1s72 n ASP 110 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1s72 n ARG 111 N -0.60 0.23 0.00 0.11 1.74 -1.13 -4.45 116.66 112.57 1s72 n ARG 111 Ca 0.05 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1s72 n ARG 111 Cb 0.02 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 1s72 n ARG 111 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1s72 n THR 112 N -2.01 0.00 -4.05 0.55 -1.04 -0.98 -4.96 114.28 101.79 1s72 n THR 112 Ca 0.04 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.83 1s72 n THR 112 Cb 0.42 -1.14 -0.04 0.00 -1.82 0.00 0.00 70.33 67.74 1s72 n THR 112 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1s72 s LEU 113 N -5.59 3.77 -0.90 -4.42 1.43 -0.62 -5.03 118.68 107.32 1s72 s LEU 113 Ca 0.00 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.63 1s72 s LEU 113 Cb 0.00 -2.32 0.16 0.00 0.03 0.00 0.00 46.19 44.07 1s72 s LEU 113 CO 0.00 -0.10 1.01 -1.81 0.23 0.00 0.00 176.35 175.68 1s72 s ASP 114 N -3.87 6.70 0.25 2.29 1.01 -1.26 -4.27 116.67 117.51 1s72 s ASP 114 Ca 0.35 -2.31 -0.30 0.00 0.71 0.00 0.00 52.55 50.99 1s72 s ASP 114 Cb -0.07 -2.33 -0.14 0.00 1.01 0.00 0.00 42.92 41.39 1s72 s ASP 114 CO 0.25 -0.87 1.28 0.52 0.21 0.00 0.00 175.17 176.56 1s72 n VAL 115 N 4.91 1.26 -1.88 -1.27 0.31 -1.26 -4.90 118.33 115.50 1s72 n VAL 115 Ca 0.21 -0.32 -0.42 0.00 -0.01 0.00 0.00 64.34 63.80 1s72 n VAL 115 Cb 0.48 -1.30 -0.03 0.00 -0.91 0.00 0.00 33.84 32.08 1s72 n VAL 115 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1s72 s PRO 116 N -0.81 4.19 -0.10 5.55 0.02 -1.26 -4.91 135.00 137.68 1s72 s PRO 116 Ca 0.66 2.42 0.14 0.00 0.02 0.00 0.00 61.00 64.23 1s72 s PRO 116 Cb -0.68 -3.28 -0.20 0.00 0.02 0.00 0.00 34.50 30.37 1s72 s PRO 116 CO 0.54 -0.68 0.15 0.39 -0.33 0.00 0.00 177.00 177.07 1s72 n GLU 117 N 4.47 1.23 -3.63 5.54 1.02 -1.26 -4.91 120.64 123.10 1s72 n GLU 117 Ca 0.15 -0.06 -0.24 0.00 -0.02 0.00 0.00 57.16 56.99 1s72 n GLU 117 Cb 0.38 -1.36 -0.17 0.00 -0.02 0.00 0.00 31.44 30.27 1s72 n GLU 117 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s72 s ASP 118 N -4.39 1.95 -0.01 1.62 1.01 -1.26 -5.14 116.67 110.44 1s72 s ASP 118 Ca -0.06 -0.38 -0.06 0.00 0.71 0.00 0.00 52.55 52.75 1s72 s ASP 118 Cb 0.06 -0.21 0.00 0.00 1.01 0.00 0.00 42.92 43.79 1s72 s ASP 118 CO 0.60 -0.32 0.13 -2.28 0.21 0.00 0.00 175.17 173.51 1s72 s HIS 119 N 2.15 -0.01 -0.78 4.23 5.65 -1.26 -5.11 115.29 120.16 1s72 s HIS 119 Ca 0.03 0.01 -0.06 0.00 0.25 0.00 0.00 55.06 55.29 1s72 s HIS 119 Cb -0.15 -0.03 0.20 0.00 -1.18 0.00 0.00 32.58 31.43 1s72 s HIS 119 CO -0.07 -0.21 0.66 0.34 -0.65 0.00 0.00 174.74 174.81 1s72 s ASP 120 N -0.91 5.94 0.20 9.88 -1.08 -1.26 -4.95 116.67 124.49 1s72 s ASP 120 Ca -0.10 -3.12 -0.11 0.00 -0.52 0.00 0.00 52.55 48.69 1s72 s ASP 120 Cb -0.06 -1.98 0.24 0.00 -1.46 0.00 0.00 42.92 39.67 1s72 s ASP 120 CO 0.01 -0.35 1.72 -0.65 0.52 0.00 0.00 175.17 176.41 1s72 h PRO 121 N 6.88 0.26 -0.43 4.34 0.11 -1.91 -2.67 132.00 138.57 1s72 h PRO 121 Ca 0.08 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1s72 h PRO 121 Cb 0.93 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1s72 h PRO 121 CO 0.78 0.17 0.18 -0.44 -0.21 0.00 0.00 178.00 178.48 1s72 h ASP 122 N 0.26 0.58 -0.50 -2.05 5.19 -1.97 0.12 116.42 118.06 1s72 h ASP 122 Ca 0.28 -0.16 0.06 0.00 -0.62 0.00 0.00 57.03 56.59 1s72 h ASP 122 Cb 0.39 -0.15 -0.05 0.00 0.18 0.00 0.00 39.33 39.69 1s72 h ASP 122 CO -0.35 0.58 0.21 0.00 -3.12 0.00 0.00 179.24 176.56 1s72 h ALA 123 N 1.03 0.63 -0.02 3.45 0.00 -1.93 0.63 119.26 123.04 1s72 h ALA 123 Ca 0.14 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1s72 h ALA 123 Cb 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1s72 h ALA 123 CO -0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 179.25 179.02 1s72 h ALA 124 N 1.31 -0.03 -0.26 0.00 0.00 -1.16 0.75 119.26 119.87 1s72 h ALA 124 Ca 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1s72 h ALA 124 Cb 0.20 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1s72 h ALA 124 CO -0.20 -0.54 0.13 1.49 0.00 0.00 0.00 179.25 180.12 1s72 h GLU 125 N -0.08 0.35 0.36 0.00 4.81 0.06 -1.33 114.58 118.74 1s72 h GLU 125 Ca 0.03 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1s72 h GLU 125 Cb 0.12 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1s72 h GLU 125 CO -0.07 0.28 -0.17 1.49 -0.73 0.00 0.00 179.01 179.80 1s72 h GLU 126 N 0.36 -0.47 -1.04 1.92 4.81 0.11 -1.23 114.58 119.03 1s72 h GLU 126 Ca 0.09 0.03 0.27 0.00 -0.13 0.00 0.00 59.36 59.62 1s72 h GLU 126 Cb 0.04 0.11 -0.11 0.00 0.63 0.00 0.00 28.75 29.42 1s72 h GLU 126 CO -0.01 -0.15 0.65 0.37 -0.73 0.00 0.00 179.01 179.13 1s72 h GLN 127 N -0.90 0.44 -0.12 1.92 4.15 -0.55 0.15 115.11 120.19 1s72 h GLN 127 Ca -0.05 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.26 1s72 h GLN 127 Cb 0.54 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1s72 h GLN 127 CO 0.08 0.29 -0.25 0.82 -1.93 0.00 0.00 178.83 177.84 1s72 h ILE 128 N 0.45 1.38 -0.32 2.39 2.04 -1.14 -2.21 117.51 120.10 1s72 h ILE 128 Ca 0.63 -1.52 -0.06 0.00 1.00 0.00 0.00 64.86 64.90 1s72 h ILE 128 Cb 1.45 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 39.58 1s72 h ILE 128 CO -0.37 0.45 -0.07 0.03 0.00 0.00 0.00 178.15 178.19 1s72 h ARG 129 N -0.04 0.51 -0.17 2.37 3.08 0.20 -0.34 114.38 119.99 1s72 h ARG 129 Ca 0.00 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1s72 h ARG 129 Cb 0.84 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1s72 h ARG 129 CO 0.05 0.59 0.03 -0.44 -1.07 0.00 0.00 179.97 179.14 1s72 h ASP 130 N 0.48 0.27 -0.41 7.04 3.32 -0.79 0.47 116.42 126.81 1s72 h ASP 130 Ca 0.10 -0.25 0.08 0.00 0.02 0.00 0.00 57.03 56.98 1s72 h ASP 130 Cb 0.42 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 39.82 1s72 h ASP 130 CO 0.02 0.45 -0.12 0.00 -1.72 0.00 0.00 179.24 177.88 1s72 h ALA 131 N 0.83 0.25 -0.58 3.45 0.00 -0.91 0.16 119.26 122.46 1s72 h ALA 131 Ca 0.05 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1s72 h ALA 131 Cb 0.30 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1s72 h ALA 131 CO 0.00 -0.47 0.35 1.25 0.00 0.00 0.00 179.25 180.39 1s72 h HIS 132 N -0.02 0.74 -0.63 0.00 -0.00 -0.76 0.31 115.15 114.79 1s72 h HIS 132 Ca 0.20 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.56 1s72 h HIS 132 Cb 0.32 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.46 1s72 h HIS 132 CO -0.38 0.49 0.32 0.93 -0.00 0.00 0.00 177.93 179.30 1s72 h GLU 133 N 0.79 0.89 0.00 5.26 5.08 0.15 -1.98 114.58 124.76 1s72 h GLU 133 Ca 0.21 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1s72 h GLU 133 Cb -0.04 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1s72 h GLU 133 CO -0.04 0.70 0.00 0.00 -1.00 0.00 0.00 179.01 178.67 1s72 n ALA 134 N -2.34 2.10 -2.33 3.43 0.00 0.03 -4.93 120.51 116.47 1s72 n ALA 134 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.41 1s72 n ALA 134 Cb 0.11 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1s72 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s72 n GLY 135 N 0.95 0.40 0.34 0.00 0.00 0.00 -4.95 105.19 101.94 1s72 n GLY 135 Ca 0.05 -0.64 0.05 0.00 0.00 0.00 0.00 46.02 45.48 1s72 n GLY 135 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s72 n ASP 136 N 1.01 1.63 -4.64 1.61 8.00 -0.89 -4.97 116.55 118.31 1s72 n ASP 136 Ca -0.03 -1.32 -0.43 0.00 0.71 0.00 0.00 54.79 53.73 1s72 n ASP 136 Cb 0.53 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 1s72 n ASP 136 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1s72 s LEU 137 N -1.01 4.07 0.68 0.64 2.96 -1.25 0.65 118.68 125.41 1s72 s LEU 137 Ca 0.10 1.95 -0.03 0.00 -0.22 0.00 0.00 54.13 55.94 1s72 s LEU 137 Cb 0.08 -3.53 0.08 0.00 0.50 0.00 0.00 46.19 43.32 1s72 s LEU 137 CO 0.15 -1.16 0.95 -0.83 -1.32 0.00 0.00 176.35 174.15 1s72 s GLY 138 N 4.15 1.76 0.82 7.98 0.00 0.55 -4.73 107.32 117.86 1s72 s GLY 138 Ca 0.75 -1.30 -0.21 0.00 0.00 0.00 0.00 44.72 43.96 1s72 s GLY 138 CO 0.30 -0.86 -1.13 2.09 0.00 0.00 0.00 173.10 173.49 1s72 n ASP 139 N -2.77 -3.07 -4.14 1.64 5.75 -1.26 -4.04 116.55 108.65 1s72 n ASP 139 Ca 0.10 0.04 -0.30 0.00 -0.01 0.00 0.00 54.79 54.62 1s72 n ASP 139 Cb 0.60 -0.46 -0.17 0.00 -1.03 0.00 0.00 41.12 40.06 1s72 n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1s72 s LEU 140 N 6.56 1.94 0.18 -2.12 1.43 -1.26 -3.10 118.68 122.31 1s72 s LEU 140 Ca 0.30 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.96 1s72 s LEU 140 Cb 0.03 -1.25 -0.05 0.00 0.03 0.00 0.00 46.19 44.96 1s72 s LEU 140 CO 0.58 0.09 -0.10 -0.13 0.23 0.00 0.00 176.35 177.02 1s72 s ARG 141 N 0.64 1.19 -0.10 1.70 0.52 -0.92 0.55 118.95 122.54 1s72 s ARG 141 Ca -0.13 -1.53 0.01 0.00 -0.52 0.00 0.00 55.73 53.56 1s72 s ARG 141 Cb -0.16 -0.79 -0.02 0.00 0.52 0.00 0.00 34.95 34.50 1s72 s ARG 141 CO 0.04 0.08 -0.13 -0.51 0.02 0.00 0.00 175.30 174.80 1s72 s LEU 142 N -3.24 2.75 -0.19 2.53 1.43 0.65 -0.14 118.68 122.46 1s72 s LEU 142 Ca 0.20 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.75 1s72 s LEU 142 Cb 0.02 -1.59 -0.00 0.00 0.03 0.00 0.00 46.19 44.65 1s72 s LEU 142 CO 0.04 0.24 1.11 -0.63 0.23 0.00 0.00 176.35 177.34 1s72 s ILE 143 N -0.11 4.56 0.17 -0.59 -1.09 0.55 -1.12 121.20 123.56 1s72 s ILE 143 Ca -0.01 1.88 0.09 0.00 -2.23 0.00 0.00 60.65 60.37 1s72 s ILE 143 Cb -0.14 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 1s72 s ILE 143 CO 0.03 -0.14 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.51 1s72 s THR 144 N 3.14 1.94 0.10 2.92 2.01 0.79 -0.73 115.64 125.81 1s72 s THR 144 Ca 0.48 -1.93 -0.10 0.00 0.31 0.00 0.00 61.69 60.45 1s72 s THR 144 Cb -0.18 -1.90 0.00 0.00 0.01 0.00 0.00 72.50 70.44 1s72 s THR 144 CO 0.10 -0.25 0.23 -1.38 -0.69 0.00 0.00 174.62 172.63 1s72 s HIS 145 N -1.90 0.11 0.45 4.92 -3.43 -1.12 -0.06 115.29 114.26 1s72 s HIS 145 Ca 0.16 -0.51 0.08 0.00 -0.80 0.00 0.00 55.06 53.99 1s72 s HIS 145 Cb -0.07 -0.00 0.02 0.00 -1.43 0.00 0.00 32.58 31.11 1s72 s HIS 145 CO 0.07 -0.59 0.62 0.95 -2.00 0.00 0.00 174.74 173.79 1s72 s THR 146 N -3.86 2.86 -0.60 -5.38 -4.23 -0.76 -2.07 115.64 101.60 1s72 s THR 146 Ca 0.06 -0.98 0.06 0.00 -1.18 0.00 0.00 61.69 59.65 1s72 s THR 146 Cb 0.04 -2.88 0.22 0.00 1.34 0.00 0.00 72.50 71.22 1s72 s THR 146 CO -0.10 0.00 0.61 0.52 -0.54 0.00 0.00 174.62 175.11 1s72 n VAL 147 N -1.94 1.42 -0.05 2.29 0.31 -1.26 -4.39 118.33 114.71 1s72 n VAL 147 Ca 0.09 -4.80 0.24 0.00 -0.01 0.00 0.00 64.34 59.86 1s72 n VAL 147 Cb 0.59 -2.07 0.72 0.00 -0.91 0.00 0.00 33.84 32.18 1s72 n VAL 147 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1s72 h PRO 148 N 4.58 0.00 0.00 5.55 0.11 -1.82 0.28 132.00 140.69 1s72 h PRO 148 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1s72 h PRO 148 Cb 0.74 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1s72 h PRO 148 CO 0.71 0.00 -0.01 0.22 -0.21 0.00 0.00 178.00 178.71 1s72 h ASP 149 N 0.00 0.00 1.05 -2.05 3.58 -1.81 0.19 116.42 117.38 1s72 h ASP 149 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1s72 h ASP 149 Cb 1.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.50 1s72 h ASP 149 CO -0.00 0.01 -0.14 0.00 -2.88 0.00 0.00 179.24 176.23 1s72 n ALA 150 N -2.11 2.56 -3.76 -0.78 0.00 0.97 -4.50 120.51 112.88 1s72 n ALA 150 Ca -0.02 -0.13 -0.36 0.00 0.00 0.00 0.00 53.44 52.93 1s72 n ALA 150 Cb 0.17 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.13 1s72 n ALA 150 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1s72 s VAL 151 N -3.05 3.39 0.19 0.00 1.01 0.65 -4.98 120.40 117.61 1s72 s VAL 151 Ca 0.12 -2.31 -0.12 0.00 0.00 0.00 0.00 61.98 59.66 1s72 s VAL 151 Cb 0.16 -3.30 0.09 0.00 0.00 0.00 0.00 36.38 33.34 1s72 s VAL 151 CO 0.59 -0.74 1.77 -0.65 0.00 0.00 0.00 175.10 176.08 1s72 h PRO 152 N 7.76 0.46 -0.01 2.72 0.11 -1.79 -2.54 132.00 138.71 1s72 h PRO 152 Ca -0.10 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1s72 h PRO 152 Cb 1.02 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1s72 h PRO 152 CO 0.70 0.30 0.11 0.77 -0.21 0.00 0.00 178.00 179.68 1s72 h SER 153 N 0.47 0.00 -3.78 -2.05 0.02 -1.85 -3.39 113.55 102.98 1s72 h SER 153 Ca 0.24 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.53 1s72 h SER 153 Cb 0.19 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.55 1s72 h SER 153 CO -0.19 0.00 -0.49 -0.69 -1.14 0.00 0.00 176.83 174.31 1s72 s VAL 154 N -4.18 5.29 0.29 2.27 1.01 -0.96 -4.83 120.40 119.30 1s72 s VAL 154 Ca -0.04 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1s72 s VAL 154 Cb 0.12 -3.65 0.28 0.00 0.00 0.00 0.00 36.38 33.13 1s72 s VAL 154 CO 0.38 0.08 1.79 -0.65 0.00 0.00 0.00 175.10 176.70 1s72 h PRO 155 N 8.45 0.76 -7.14 2.72 0.11 -1.84 -3.45 132.00 131.62 1s72 h PRO 155 Ca -0.33 -0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.22 1s72 h PRO 155 Cb 1.17 -0.17 0.11 0.00 0.11 0.00 0.00 31.00 32.21 1s72 h PRO 155 CO 0.60 0.50 0.42 -1.59 -0.21 0.00 0.00 178.00 177.73 1s72 s LYS 156 N -5.91 2.90 0.00 1.05 -2.85 -1.26 -4.93 119.74 108.74 1s72 s LYS 156 Ca -0.12 1.63 0.00 0.00 -1.00 0.00 0.00 55.97 56.49 1s72 s LYS 156 Cb 0.23 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 34.06 1s72 s LYS 156 CO 0.80 -1.22 0.00 1.63 0.10 0.00 0.00 175.35 176.66 1s72 n LYS 157 N -1.92 2.87 -1.68 1.78 5.02 -1.26 -4.12 118.16 118.85 1s72 n LYS 157 Ca 0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 1s72 n LYS 157 Cb 0.51 -0.94 -0.03 0.00 -0.02 0.00 0.00 35.03 34.55 1s72 n LYS 157 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1s72 s LYS 158 N -1.85 4.14 0.50 1.97 2.20 -1.26 -4.58 119.74 120.86 1s72 s LYS 158 Ca 0.00 2.60 -0.19 0.00 -0.36 0.00 0.00 55.97 58.02 1s72 s LYS 158 Cb 0.00 -4.12 -0.08 0.00 -1.51 0.00 0.00 37.83 32.12 1s72 s LYS 158 CO 0.00 -0.95 1.03 -2.14 -0.36 0.00 0.00 175.35 172.94 1s72 s PRO 159 N 4.33 3.75 -0.15 4.03 0.02 -1.26 -4.81 135.00 140.91 1s72 s PRO 159 Ca 0.88 1.31 -0.14 0.00 0.02 0.00 0.00 61.00 63.06 1s72 s PRO 159 Cb -0.43 -2.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.96 1s72 s PRO 159 CO 0.41 -0.46 0.32 -0.51 -0.33 0.00 0.00 177.00 176.43 1s72 s ASP 160 N -2.16 6.49 -0.13 2.53 1.01 -1.26 -4.87 116.67 118.28 1s72 s ASP 160 Ca 0.66 0.57 -0.01 0.00 0.71 0.00 0.00 52.55 54.48 1s72 s ASP 160 Cb -0.16 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 1s72 s ASP 160 CO 0.23 0.09 -0.10 -0.69 0.21 0.00 0.00 175.17 174.91 1s72 s VAL 161 N 0.42 3.36 0.03 -1.27 1.01 -1.26 -1.83 120.40 120.86 1s72 s VAL 161 Ca 0.18 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 1s72 s VAL 161 Cb -0.13 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.84 1s72 s VAL 161 CO 0.05 0.52 0.28 0.00 0.00 0.00 0.00 175.10 175.95 1s72 s MET 162 N 0.20 0.75 -0.15 2.72 0.23 0.92 -4.99 119.30 118.97 1s72 s MET 162 Ca -0.06 -0.47 -0.14 0.00 -1.03 0.00 0.00 55.69 53.99 1s72 s MET 162 Cb -0.15 0.32 -0.05 0.00 -1.53 0.00 0.00 34.83 33.43 1s72 s MET 162 CO 0.04 -0.23 0.31 -2.00 -2.03 0.00 0.00 175.02 171.11 1s72 s GLU 163 N -2.28 4.22 -0.10 3.16 2.12 -1.26 -0.15 118.70 124.41 1s72 s GLU 163 Ca -0.07 0.13 0.02 0.00 0.36 0.00 0.00 54.97 55.41 1s72 s GLU 163 Cb -0.02 -3.41 0.01 0.00 0.26 0.00 0.00 34.13 30.97 1s72 s GLU 163 CO -0.02 0.27 -0.16 0.99 -0.54 0.00 0.00 175.26 175.80 1s72 s THR 164 N 0.36 1.53 0.75 -1.70 2.01 -0.28 -4.94 115.64 113.38 1s72 s THR 164 Ca 0.17 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.35 1s72 s THR 164 Cb -0.13 -1.38 0.05 0.00 0.01 0.00 0.00 72.50 71.04 1s72 s THR 164 CO 0.05 0.45 1.18 -0.60 -0.69 0.00 0.00 174.62 175.00 1s72 s ARG 165 N 0.78 2.09 -0.23 4.92 3.52 -1.26 -0.25 118.95 128.53 1s72 s ARG 165 Ca -0.11 1.64 0.02 0.00 -0.13 0.00 0.00 55.73 57.15 1s72 s ARG 165 Cb -0.16 -1.84 0.05 0.00 -1.56 0.00 0.00 34.95 31.44 1s72 s ARG 165 CO 0.02 -1.84 -0.14 0.08 -0.81 0.00 0.00 175.30 172.61 1s72 s VAL 166 N -2.19 2.04 -0.08 7.11 1.01 0.19 -0.96 120.40 127.52 1s72 s VAL 166 Ca 0.71 -1.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 1s72 s VAL 166 Cb -0.26 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1s72 s VAL 166 CO 0.47 0.17 -0.06 -0.83 0.00 0.00 0.00 175.10 174.86 1s72 s GLY 167 N 1.21 1.72 0.01 4.51 0.00 -1.03 -4.37 107.32 109.38 1s72 s GLY 167 Ca -0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 1s72 s GLY 167 CO -0.08 -0.58 0.05 0.61 0.00 0.00 0.00 173.10 173.10 1s72 n GLY 168 N 2.36 1.54 0.00 0.20 0.00 -1.26 -0.88 105.19 107.15 1s72 n GLY 168 Ca -0.18 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1s72 n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 169 N -0.03 -1.09 3.90 -0.02 0.00 -1.16 -4.72 105.19 102.07 1s72 n GLY 169 Ca -0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1s72 n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s72 s SER 170 N -2.55 5.25 0.15 1.61 1.04 -1.26 -4.89 113.70 113.04 1s72 s SER 170 Ca 0.00 0.89 -0.11 0.00 0.48 0.00 0.00 55.95 57.21 1s72 s SER 170 Cb 0.00 -1.67 -0.01 0.00 0.10 0.00 0.00 66.02 64.44 1s72 s SER 170 CO 0.00 -1.40 1.53 -0.37 0.98 0.00 0.00 173.24 173.98 1s72 h VAL 171 N -0.60 1.27 -0.18 5.02 -1.51 -1.98 -0.87 116.25 117.40 1s72 h VAL 171 Ca -0.45 -1.37 -0.01 0.00 -1.23 0.00 0.00 66.70 63.64 1s72 h VAL 171 Cb 1.27 1.21 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 1s72 h VAL 171 CO 0.63 0.47 0.09 0.28 -1.23 0.00 0.00 177.57 177.81 1s72 h SER 172 N 0.77 0.23 -0.00 4.19 0.02 -1.98 0.25 113.55 117.03 1s72 h SER 172 Ca 0.10 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1s72 h SER 172 Cb 0.79 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 1s72 h SER 172 CO 0.07 0.27 0.00 0.44 -1.14 0.00 0.00 176.83 176.47 1s72 h ASP 173 N 0.18 0.00 0.98 3.07 3.32 -1.92 -1.81 116.42 120.24 1s72 h ASP 173 Ca 0.06 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1s72 h ASP 173 Cb 0.10 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1s72 h ASP 173 CO -0.01 0.01 -0.35 0.08 -1.72 0.00 0.00 179.24 177.26 1s72 h ARG 174 N -0.01 0.00 -0.41 3.56 0.11 -1.07 -0.45 114.38 116.11 1s72 h ARG 174 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1s72 h ARG 174 Cb 0.01 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.07 1s72 h ARG 174 CO -0.00 0.35 0.18 1.25 0.10 0.00 0.00 179.97 181.85 1s72 h LEU 175 N 0.00 0.55 -0.40 0.08 6.46 -0.26 0.12 115.31 121.86 1s72 h LEU 175 Ca -0.00 -0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.58 1s72 h LEU 175 Cb 0.93 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 1s72 h LEU 175 CO 0.05 0.54 0.13 0.44 -0.62 0.00 0.00 178.44 178.98 1s72 h ASP 176 N 0.52 0.58 -0.76 1.25 3.32 -0.99 -2.13 116.42 118.22 1s72 h ASP 176 Ca 0.14 -0.20 0.08 0.00 0.02 0.00 0.00 57.03 57.07 1s72 h ASP 176 Cb 0.15 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1s72 h ASP 176 CO -0.01 0.63 0.50 -0.74 -1.72 0.00 0.00 179.24 177.89 1s72 h HIS 177 N 0.51 0.77 0.68 4.55 2.76 -0.57 -0.84 115.15 123.01 1s72 h HIS 177 Ca 0.13 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1s72 h HIS 177 Cb 0.26 -0.25 0.01 0.00 1.55 0.00 0.00 27.41 28.97 1s72 h HIS 177 CO 0.01 0.38 -0.32 0.00 -1.30 0.00 0.00 177.93 176.70 1s72 h ALA 178 N 1.60 -0.91 -0.79 5.26 0.00 -0.32 -2.65 119.26 121.46 1s72 h ALA 178 Ca 0.34 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.20 1s72 h ALA 178 Cb 0.36 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 1s72 h ALA 178 CO -0.12 -0.88 0.29 -0.07 0.00 0.00 0.00 179.25 178.46 1s72 h LEU 179 N -1.16 0.21 -0.21 0.00 3.38 -1.05 -1.00 115.31 115.48 1s72 h LEU 179 Ca -0.09 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1s72 h LEU 179 Cb 0.72 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1s72 h LEU 179 CO 0.15 0.04 -0.06 0.44 0.09 0.00 0.00 178.44 179.10 1s72 h ASP 180 N 0.38 -0.22 0.02 -0.43 3.32 -1.10 0.10 116.42 118.50 1s72 h ASP 180 Ca 0.45 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1s72 h ASP 180 Cb 0.76 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1s72 h ASP 180 CO -0.47 -0.08 -0.02 0.40 -1.72 0.00 0.00 179.24 177.35 1s72 h ILE 181 N -0.01 0.95 0.79 0.35 2.04 -0.85 -3.05 117.51 117.73 1s72 h ILE 181 Ca 0.10 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 1s72 h ILE 181 Cb 0.17 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1s72 h ILE 181 CO -0.23 0.00 -0.46 0.58 0.00 0.00 0.00 178.15 178.04 1s72 h VAL 182 N -0.05 0.00 -0.94 1.67 2.07 -0.94 -1.73 116.25 116.32 1s72 h VAL 182 Ca 0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.73 1s72 h VAL 182 Cb 0.05 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.64 1s72 h VAL 182 CO -0.01 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 177.09 1s72 h GLU 183 N -1.16 0.01 0.00 1.57 4.39 -0.83 -2.72 114.58 115.84 1s72 h GLU 183 Ca -0.11 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1s72 h GLU 183 Cb 0.92 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1s72 h GLU 183 CO 0.12 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.73 1s72 n ASP 184 N -5.56 0.00 0.00 1.42 8.00 -1.15 -4.77 116.55 114.48 1s72 n ASP 184 Ca 0.16 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.17 1s72 n ASP 184 Cb 0.53 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1s72 n ASP 184 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s72 n GLY 185 N -0.83 0.56 3.21 0.44 0.00 -1.04 -4.90 105.19 102.63 1s72 n GLY 185 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s72 n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 186 N 0.00 2.26 3.64 -0.02 0.00 -0.66 -4.52 105.19 105.90 1s72 n GLY 186 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1s72 n GLY 186 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1s72 n GLU 187 N -2.00 2.12 -4.07 1.61 2.13 -1.26 -1.31 120.64 117.85 1s72 n GLU 187 Ca 0.00 0.74 -0.09 0.00 0.66 0.00 0.00 57.16 58.47 1s72 n GLU 187 Cb 0.00 -2.74 -0.09 0.00 0.27 0.00 0.00 31.44 28.88 1s72 n GLU 187 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1s72 s HIS 188 N 5.00 0.64 0.25 4.31 -3.43 -0.94 -4.97 115.29 116.16 1s72 s HIS 188 Ca 0.95 -1.04 0.03 0.00 -0.80 0.00 0.00 55.06 54.20 1s72 s HIS 188 Cb -0.64 -0.33 -0.05 0.00 -1.43 0.00 0.00 32.58 30.13 1s72 s HIS 188 CO 0.48 -0.55 0.04 0.00 -2.00 0.00 0.00 174.74 172.71 1s72 s ALA 189 N -3.99 1.88 0.30 -1.38 0.00 -1.26 -1.43 121.76 115.88 1s72 s ALA 189 Ca 0.18 -1.84 0.05 0.00 0.00 0.00 0.00 51.96 50.35 1s72 s ALA 189 Cb 0.06 0.67 0.71 0.00 0.00 0.00 0.00 23.12 24.56 1s72 s ALA 189 CO -0.01 -0.32 1.79 1.98 0.00 0.00 0.00 175.76 179.20 1s72 h MET 190 N 2.39 0.78 -0.51 0.00 4.05 -1.86 -1.57 114.93 118.21 1s72 h MET 190 Ca -0.39 -0.05 0.09 0.00 -0.28 0.00 0.00 59.70 59.07 1s72 h MET 190 Cb 1.23 -0.18 -0.07 0.00 -0.80 0.00 0.00 31.60 31.78 1s72 h MET 190 CO 0.65 0.52 0.10 -0.91 0.23 0.00 0.00 176.91 177.50 1s72 h ASN 191 N 0.81 0.00 0.00 1.39 2.35 -1.95 0.13 115.58 118.31 1s72 h ASN 191 Ca 0.56 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.40 1s72 h ASN 191 Cb 0.82 0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1s72 h ASN 191 CO -0.35 0.03 0.00 0.44 -1.65 0.00 0.00 177.43 175.90 1s72 h ASP 192 N 0.24 0.00 0.00 5.81 3.32 -1.69 -3.29 116.42 120.81 1s72 h ASP 192 Ca 0.26 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 1s72 h ASP 192 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1s72 h ASP 192 CO -0.33 0.00 -1.36 -0.38 -1.72 0.00 0.00 179.24 175.45 1s72 n ILE 193 N -3.02 0.36 -4.30 0.35 5.41 -0.82 -4.95 119.36 112.39 1s72 n ILE 193 Ca -0.03 -0.12 -0.25 0.00 1.00 0.00 0.00 62.75 63.35 1s72 n ILE 193 Cb 0.07 -0.98 -0.08 0.00 -0.71 0.00 0.00 39.64 37.93 1s72 n ILE 193 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1s72 s PHE 194 N -2.12 2.64 -0.03 1.39 0.40 0.38 -5.05 117.98 115.59 1s72 s PHE 194 Ca -0.09 -0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.06 1s72 s PHE 194 Cb 0.03 -1.23 -0.00 0.00 0.51 0.00 0.00 43.02 42.33 1s72 s PHE 194 CO 0.14 0.58 -0.15 0.50 0.70 0.00 0.00 175.22 176.99 1s72 s ARG 195 N -3.26 1.44 0.18 0.44 6.06 -1.26 -4.36 118.95 118.19 1s72 s ARG 195 Ca 0.28 -0.52 -0.33 0.00 -2.50 0.00 0.00 55.73 52.66 1s72 s ARG 195 Cb -0.07 -1.30 -0.15 0.00 0.06 0.00 0.00 34.95 33.49 1s72 s ARG 195 CO 0.17 0.24 1.38 0.00 -2.50 0.00 0.00 175.30 174.59 1s72 n ALA 196 N 3.06 0.40 0.00 6.12 0.00 -1.26 -1.86 120.51 126.97 1s72 n ALA 196 Ca -0.17 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1s72 n ALA 196 Cb 0.54 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1s72 n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s72 n GLY 197 N 2.50 2.76 3.88 0.00 0.00 0.33 -0.64 105.19 114.01 1s72 n GLY 197 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1s72 n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s72 s GLU 198 N -0.62 3.17 -0.16 1.61 2.02 -0.78 -3.81 118.70 120.13 1s72 s GLU 198 Ca 0.00 0.59 -0.08 0.00 0.02 0.00 0.00 54.97 55.50 1s72 s GLU 198 Cb 0.00 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.14 1s72 s GLU 198 CO 0.00 -0.84 0.13 0.71 0.02 0.00 0.00 175.26 175.27 1s72 s TYR 199 N -3.28 3.48 0.18 1.61 1.51 -1.26 -1.12 117.35 118.46 1s72 s TYR 199 Ca 0.57 0.40 0.06 0.00 -1.01 0.00 0.00 57.07 57.09 1s72 s TYR 199 Cb -0.11 -2.05 -0.05 0.00 -0.11 0.00 0.00 41.96 39.65 1s72 s TYR 199 CO 0.53 0.49 -0.13 0.00 -1.11 0.00 0.00 175.55 175.33 1s72 s ALA 200 N -0.30 1.77 -0.19 3.71 0.00 0.46 -1.39 121.76 125.83 1s72 s ALA 200 Ca 0.11 -1.58 -0.06 0.00 0.00 0.00 0.00 51.96 50.43 1s72 s ALA 200 Cb -0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1s72 s ALA 200 CO 0.01 0.01 0.04 -0.51 0.00 0.00 0.00 175.76 175.30 1s72 s ASP 201 N -3.21 5.32 -0.21 0.00 1.01 0.21 0.63 116.67 120.42 1s72 s ASP 201 Ca 0.20 -0.03 -0.04 0.00 0.71 0.00 0.00 52.55 53.38 1s72 s ASP 201 Cb 0.00 -1.91 -0.02 0.00 1.01 0.00 0.00 42.92 42.01 1s72 s ASP 201 CO 0.04 0.13 -0.02 -0.69 0.21 0.00 0.00 175.17 174.84 1s72 s VAL 202 N 0.60 3.68 0.20 -1.27 1.01 -0.49 -1.70 120.40 122.43 1s72 s VAL 202 Ca 0.02 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1s72 s VAL 202 Cb -0.13 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1s72 s VAL 202 CO 0.02 0.43 0.21 0.00 0.00 0.00 0.00 175.10 175.76 1s72 s ALA 203 N 1.17 3.70 0.00 5.51 0.00 -0.53 -0.46 121.76 131.16 1s72 s ALA 203 Ca 0.02 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1s72 s ALA 203 Cb -0.15 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.49 1s72 s ALA 203 CO 0.00 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.58 1s72 n GLY 204 N -0.76 0.90 3.56 0.00 0.00 0.39 -1.96 105.19 107.32 1s72 n GLY 204 Ca -0.08 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1s72 n GLY 204 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s72 s VAL 205 N -2.00 4.92 1.03 1.61 1.01 -1.26 -0.64 120.40 125.08 1s72 s VAL 205 Ca 0.00 0.51 -0.13 0.00 0.00 0.00 0.00 61.98 62.35 1s72 s VAL 205 Cb 0.00 -4.05 0.14 0.00 0.00 0.00 0.00 36.38 32.47 1s72 s VAL 205 CO 0.00 -0.30 0.64 0.35 0.00 0.00 0.00 175.10 175.79 1s72 n THR 206 N 5.55 0.00 -1.85 3.92 -2.24 0.10 -3.75 114.28 116.01 1s72 n THR 206 Ca -0.02 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 1s72 n THR 206 Cb 0.49 -0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 1s72 n THR 206 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1s72 s LYS 207 N -4.01 4.17 0.40 -0.78 1.02 -1.26 -2.15 119.74 117.13 1s72 s LYS 207 Ca 0.62 2.48 -0.23 0.00 0.02 0.00 0.00 55.97 58.86 1s72 s LYS 207 Cb -0.20 -3.07 -0.10 0.00 -0.52 0.00 0.00 37.83 33.93 1s72 s LYS 207 CO 0.64 -0.59 0.96 0.20 -0.92 0.00 0.00 175.35 175.64 1s72 s GLY 208 N 0.66 2.53 -0.01 -3.33 0.00 -1.26 -2.60 107.32 103.31 1s72 s GLY 208 Ca 0.65 0.46 0.01 0.00 0.00 0.00 0.00 44.72 45.84 1s72 s GLY 208 CO 0.42 0.80 0.74 0.28 0.00 0.00 0.00 173.10 175.34 1s72 n LYS 209 N -0.28 1.09 0.00 2.90 5.02 -0.41 -4.84 118.16 121.63 1s72 n LYS 209 Ca 0.06 -0.98 0.00 0.00 -2.02 0.00 0.00 58.31 55.36 1s72 n LYS 209 Cb 0.53 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 1s72 n LYS 209 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s72 n GLY 210 N -0.24 1.68 3.76 0.72 0.00 -1.19 -4.59 105.19 105.33 1s72 n GLY 210 Ca 0.01 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 1s72 n GLY 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s72 s THR 211 N 0.00 4.67 0.08 2.61 -4.23 -1.26 -1.04 115.64 116.47 1s72 s THR 211 Ca 0.00 1.58 0.01 0.00 -1.18 0.00 0.00 61.69 62.10 1s72 s THR 211 Cb 0.00 -4.09 -0.04 0.00 1.34 0.00 0.00 72.50 69.71 1s72 s THR 211 CO 0.00 0.41 -0.06 -1.10 -0.54 0.00 0.00 174.62 173.33 1s72 s GLN 212 N -0.36 0.73 0.77 3.99 -1.52 -0.46 -4.93 119.66 117.88 1s72 s GLN 212 Ca 0.37 -1.20 -0.10 0.00 -1.95 0.00 0.00 55.36 52.48 1s72 s GLN 212 Cb -0.21 -0.13 0.08 0.00 -0.22 0.00 0.00 33.01 32.54 1s72 s GLN 212 CO 0.23 -0.03 1.12 0.20 -0.25 0.00 0.00 175.29 176.56 1s72 s GLY 213 N -2.74 1.65 0.31 3.09 0.00 -1.26 -2.06 107.32 106.31 1s72 s GLY 213 Ca 0.07 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 44.01 1s72 s GLY 213 CO -0.05 -0.34 1.85 -2.55 0.00 0.00 0.00 173.10 172.01 1s72 h PRO 214 N -0.90 0.86 -0.09 2.90 0.11 -1.83 0.10 132.00 133.15 1s72 h PRO 214 Ca -0.45 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1s72 h PRO 214 Cb 1.32 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 1s72 h PRO 214 CO 0.61 0.57 -0.12 0.28 -0.21 0.00 0.00 178.00 179.13 1s72 h VAL 215 N 0.88 0.68 0.10 3.15 2.07 -1.83 0.29 116.25 121.59 1s72 h VAL 215 Ca 0.48 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.78 1s72 h VAL 215 Cb 0.57 0.68 0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1s72 h VAL 215 CO -0.24 0.00 -0.89 0.50 0.02 0.00 0.00 177.57 176.95 1s72 h LYS 216 N -0.16 0.44 -0.31 1.57 3.64 -1.79 -1.62 116.57 118.34 1s72 h LYS 216 Ca 0.07 -0.60 -0.15 0.00 -1.27 0.00 0.00 60.65 58.71 1s72 h LYS 216 Cb 0.26 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1s72 h LYS 216 CO -0.19 1.25 -0.40 -0.09 -2.27 0.00 0.00 179.45 177.76 1s72 h ARG 217 N -0.09 0.73 0.00 1.90 2.43 -0.77 -3.37 114.38 115.22 1s72 h ARG 217 Ca -0.14 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1s72 h ARG 217 Cb 1.64 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 1s72 h ARG 217 CO 0.17 1.00 0.00 0.91 -1.51 0.00 0.00 179.97 180.54 1s72 n TRP 218 N -4.04 0.00 -1.27 2.20 7.02 0.98 -5.02 117.44 117.31 1s72 n TRP 218 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1s72 n TRP 218 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 1s72 n TRP 218 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1s72 n GLY 219 N 0.81 0.38 3.81 6.99 0.00 -0.61 -2.88 105.19 113.69 1s72 n GLY 219 Ca 0.00 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 1s72 n GLY 219 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s72 s VAL 220 N -2.00 3.91 0.97 1.61 -7.23 -1.22 -4.91 120.40 111.54 1s72 s VAL 220 Ca 0.00 0.74 -0.12 0.00 -1.81 0.00 0.00 61.98 60.79 1s72 s VAL 220 Cb 0.00 -3.38 0.17 0.00 0.56 0.00 0.00 36.38 33.74 1s72 s VAL 220 CO 0.00 -0.69 1.11 -1.10 -0.31 0.00 0.00 175.10 174.10 1s72 s GLN 221 N -4.61 0.63 0.41 4.82 -0.21 -1.26 -4.44 119.66 115.00 1s72 s GLN 221 Ca 0.61 0.43 0.02 0.00 0.02 0.00 0.00 55.36 56.43 1s72 s GLN 221 Cb -0.15 -1.77 -0.01 0.00 1.00 0.00 0.00 33.01 32.09 1s72 s GLN 221 CO 0.47 -2.57 0.60 0.15 -2.12 0.00 0.00 175.29 171.82 1s72 s LYS 222 N -5.07 3.10 0.45 2.91 1.02 -1.26 -4.84 119.74 116.05 1s72 s LYS 222 Ca 0.65 -0.64 -0.25 0.00 0.02 0.00 0.00 55.97 55.75 1s72 s LYS 222 Cb -0.17 -2.65 -0.08 0.00 -0.52 0.00 0.00 37.83 34.41 1s72 s LYS 222 CO 0.56 -0.14 1.35 1.03 -0.92 0.00 0.00 175.35 177.23 1s72 s ARG 223 N -4.42 3.71 0.10 1.68 1.81 -0.53 -4.99 118.95 116.31 1s72 s ARG 223 Ca 0.47 2.25 0.06 0.00 -1.72 0.00 0.00 55.73 56.78 1s72 s ARG 223 Cb -0.10 -2.62 -0.04 0.00 -0.45 0.00 0.00 34.95 31.75 1s72 s ARG 223 CO 0.36 -0.74 -0.04 0.15 -0.68 0.00 0.00 175.30 174.35 1s72 s LYS 224 N -2.46 2.36 4.00 3.54 -0.14 -1.26 -4.33 119.74 121.44 1s72 s LYS 224 Ca 0.61 -0.92 0.00 0.00 -1.36 0.00 0.00 55.97 54.30 1s72 s LYS 224 Cb -0.40 -2.43 0.00 0.00 -1.68 0.00 0.00 37.83 33.31 1s72 s LYS 224 CO 0.51 0.52 0.00 0.41 -0.76 0.00 0.00 175.35 176.03 1s72 n GLY 225 N 0.61 2.95 0.36 -3.33 0.00 -1.26 -1.76 105.19 102.76 1s72 n GLY 225 Ca -0.12 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.93 1s72 n GLY 225 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s72 h LYS 226 N 0.00 0.46 -0.17 1.61 3.64 -2.02 -0.75 116.57 119.34 1s72 h LYS 226 Ca 0.00 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1s72 h LYS 226 Cb 0.00 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1s72 h LYS 226 CO 0.00 0.30 0.12 0.45 -2.27 0.00 0.00 179.45 178.05 1s72 h HIS 227 N 0.47 0.11 0.00 1.91 3.86 -1.71 -2.21 115.15 117.58 1s72 h HIS 227 Ca 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 1s72 h HIS 227 Cb 0.59 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1s72 h HIS 227 CO -0.00 0.06 0.00 0.00 0.86 0.00 0.00 177.93 178.85 1s72 n ALA 228 N -2.54 1.67 0.56 2.45 0.00 -0.29 -2.92 120.51 119.45 1s72 n ALA 228 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1s72 n ALA 228 Cb 0.17 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 1s72 n ALA 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s72 n ARG 229 N -1.75 2.01 0.16 0.00 1.74 -0.83 -4.60 116.66 113.39 1s72 n ARG 229 Ca 0.03 -0.63 0.13 0.00 -0.77 0.00 0.00 57.85 56.62 1s72 n ARG 229 Cb 0.19 -1.15 0.43 0.00 -1.02 0.00 0.00 32.46 30.91 1s72 n ARG 229 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1s72 h GLN 230 N 1.27 0.00 0.00 5.56 1.08 -1.55 -3.45 115.11 118.02 1s72 h GLN 230 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1s72 h GLN 230 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1s72 h GLN 230 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1s72 n GLY 231 N 0.71 0.46 3.08 3.46 0.00 -1.26 -5.11 105.19 106.52 1s72 n GLY 231 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1s72 n GLY 231 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1s72 s TRP 232 N -0.64 2.20 0.00 1.61 0.51 -1.26 -5.01 118.94 116.34 1s72 s TRP 232 Ca 0.00 -1.11 0.00 0.00 -2.12 0.00 0.00 56.10 52.87 1s72 s TRP 232 Cb 0.00 -1.56 0.00 0.00 -0.81 0.00 0.00 33.47 31.10 1s72 s TRP 232 CO 0.00 -0.56 0.00 0.54 -0.51 0.00 0.00 176.95 176.42 1s72 n ARG 233 N 4.30 0.00 -2.43 4.98 1.74 -1.26 -4.17 116.66 119.82 1s72 n ARG 233 Ca -0.19 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.75 1s72 n ARG 233 Cb 0.51 -0.79 0.03 0.00 -1.02 0.00 0.00 32.46 31.19 1s72 n ARG 233 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1s72 n ARG 234 N -2.63 2.67 -5.04 5.56 1.74 -1.26 -1.45 116.66 116.25 1s72 n ARG 234 Ca 0.00 -3.88 -0.28 0.00 -0.77 0.00 0.00 57.85 52.93 1s72 n ARG 234 Cb 0.47 -1.93 -0.16 0.00 -1.02 0.00 0.00 32.46 29.82 1s72 n ARG 234 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1s72 s ARG 235 N -3.62 1.80 0.88 5.56 0.52 -1.26 -4.67 118.95 118.15 1s72 s ARG 235 Ca 0.40 -0.75 -0.11 0.00 -0.52 0.00 0.00 55.73 54.74 1s72 s ARG 235 Cb 0.38 -1.69 0.12 0.00 0.52 0.00 0.00 34.95 34.28 1s72 s ARG 235 CO -0.02 0.43 1.09 0.96 0.02 0.00 0.00 175.30 177.78 1s72 s ILE 236 N -0.41 2.75 0.10 1.52 -4.36 -1.26 -4.77 121.20 114.77 1s72 s ILE 236 Ca 0.06 0.24 -0.24 0.00 -0.26 0.00 0.00 60.65 60.45 1s72 s ILE 236 Cb -0.09 -2.64 -0.12 0.00 1.25 0.00 0.00 42.46 40.86 1s72 s ILE 236 CO -0.00 -0.32 1.71 1.23 0.24 0.00 0.00 174.94 177.80 1s72 h GLY 237 N -1.53 -0.12 -2.87 6.27 0.00 -2.00 -3.46 103.07 99.35 1s72 h GLY 237 Ca -0.48 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1s72 h GLY 237 CO 0.52 -0.08 0.07 0.54 0.00 0.00 0.00 176.54 177.59 1s72 s ASN 238 N -5.07 -0.36 0.00 0.19 4.22 -1.26 -5.02 114.94 107.63 1s72 s ASN 238 Ca -0.14 -0.26 0.12 0.00 -2.14 0.00 0.00 52.86 50.44 1s72 s ASN 238 Cb 0.07 0.56 0.41 0.00 1.28 0.00 0.00 41.25 43.57 1s72 s ASN 238 CO 0.66 -0.97 1.32 0.18 -2.04 0.00 0.00 177.10 176.24 1s72 n LEU 239 N -0.32 1.63 0.00 3.54 4.77 -1.26 -5.00 117.00 120.36 1s72 n LEU 239 Ca -0.14 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1s72 n LEU 239 Cb 0.64 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1s72 n LEU 239 CO 0.15 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1s72 n GLY 240 N 1.02 1.69 3.76 -0.72 0.00 -1.26 -4.40 105.19 105.28 1s72 n GLY 240 Ca 0.12 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 1s72 n GLY 240 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s72 s PRO 241 N -1.32 0.55 0.10 1.61 0.04 -1.26 -4.96 135.00 129.76 1s72 s PRO 241 Ca 0.00 0.13 -0.24 0.00 0.04 0.00 0.00 61.00 60.94 1s72 s PRO 241 Cb 0.00 -1.78 -0.12 0.00 0.04 0.00 0.00 34.50 32.64 1s72 s PRO 241 CO 0.00 -2.57 1.71 2.35 0.04 0.00 0.00 177.00 178.53 1s72 h TRP 242 N -1.76 -0.17 -4.05 0.56 2.91 -2.00 -3.42 115.95 108.02 1s72 h TRP 242 Ca -0.49 0.00 -0.62 0.00 1.13 0.00 0.00 58.89 58.91 1s72 h TRP 242 Cb 1.31 0.07 -0.31 0.00 -0.51 0.00 0.00 29.16 29.72 1s72 h TRP 242 CO -0.39 -0.11 -0.86 -0.80 -1.03 0.00 0.00 178.44 175.25 1s72 s ASN 243 N -5.08 2.59 0.25 2.65 0.01 -1.26 -2.63 114.94 111.47 1s72 s ASN 243 Ca -0.14 -0.42 -0.30 0.00 -0.71 0.00 0.00 52.86 51.29 1s72 s ASN 243 Cb 0.07 -0.63 -0.10 0.00 0.41 0.00 0.00 41.25 40.99 1s72 s ASN 243 CO 0.66 0.21 1.46 -2.16 -1.51 0.00 0.00 177.10 175.76 1s72 s PRO 244 N -0.15 4.25 -1.30 -0.60 0.04 -1.26 -5.06 135.00 130.92 1s72 s PRO 244 Ca -0.01 2.33 -0.16 0.00 0.04 0.00 0.00 61.00 63.20 1s72 s PRO 244 Cb -0.12 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 1s72 s PRO 244 CO 0.02 -0.45 2.18 -1.13 0.04 0.00 0.00 177.00 177.66 1s72 n SER 245 N 2.44 3.70 -3.55 6.66 3.41 -1.08 -4.73 113.62 120.47 1s72 n SER 245 Ca 0.07 -2.79 -0.08 0.00 -0.26 0.00 0.00 58.87 55.81 1s72 n SER 245 Cb 0.40 -1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 62.80 1s72 n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s72 s ARG 246 N 3.60 0.62 -0.20 4.33 1.70 -1.26 -5.14 118.95 122.61 1s72 s ARG 246 Ca 0.50 -0.11 -0.19 0.00 -0.47 0.00 0.00 55.73 55.46 1s72 s ARG 246 Cb 0.14 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.78 1s72 s ARG 246 CO -0.04 -0.25 0.52 0.08 -1.08 0.00 0.00 175.30 174.53 1s72 s VAL 247 N -2.27 5.11 0.28 4.99 1.01 -1.26 -4.92 120.40 123.34 1s72 s VAL 247 Ca 0.04 0.97 -0.28 0.00 0.00 0.00 0.00 61.98 62.70 1s72 s VAL 247 Cb -0.01 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 1s72 s VAL 247 CO -0.05 0.18 0.97 -0.13 0.00 0.00 0.00 175.10 176.08 1s72 s ARG 248 N 1.60 4.69 0.34 2.72 0.52 -1.26 -4.92 118.95 122.63 1s72 s ARG 248 Ca 0.24 1.49 0.24 0.00 -0.52 0.00 0.00 55.73 57.18 1s72 s ARG 248 Cb -0.15 -3.06 1.24 0.00 0.52 0.00 0.00 34.95 33.49 1s72 s ARG 248 CO 0.10 0.35 1.72 0.66 0.02 0.00 0.00 175.30 178.14 1s72 h SER 249 N 3.67 0.00 1.04 0.23 4.64 -1.98 -2.20 113.55 118.95 1s72 h SER 249 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1s72 h SER 249 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1s72 h SER 249 CO 0.66 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.97 1s72 n THR 250 N -2.32 0.18 -2.69 2.95 -2.24 -1.26 -4.80 114.28 104.10 1s72 n THR 250 Ca -0.01 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 1s72 n THR 250 Cb 0.06 -0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 67.69 1s72 n THR 250 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1s72 s VAL 251 N -3.02 4.32 -0.03 2.28 0.11 -0.83 -4.96 120.40 118.27 1s72 s VAL 251 Ca 0.13 2.00 -0.30 0.00 -2.93 0.00 0.00 61.98 60.88 1s72 s VAL 251 Cb 0.17 -4.27 -0.07 0.00 -1.53 0.00 0.00 36.38 30.67 1s72 s VAL 251 CO 0.52 0.34 1.90 -2.16 -3.33 0.00 0.00 175.10 172.37 1s72 s PRO 252 N -0.25 4.01 0.18 1.54 0.04 -1.26 -4.98 135.00 134.27 1s72 s PRO 252 Ca 0.46 2.39 0.03 0.00 0.04 0.00 0.00 61.00 63.92 1s72 s PRO 252 Cb -0.25 -4.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.11 1s72 s PRO 252 CO 0.31 -1.08 -0.03 -0.65 0.04 0.00 0.00 177.00 175.59 1s72 s GLN 253 N 4.59 1.13 0.86 4.56 -0.21 -1.26 -4.85 119.66 124.49 1s72 s GLN 253 Ca 0.85 -1.54 -0.13 0.00 0.02 0.00 0.00 55.36 54.57 1s72 s GLN 253 Cb -0.38 -0.43 0.08 0.00 1.00 0.00 0.00 33.01 33.28 1s72 s GLN 253 CO 0.37 -0.07 0.95 0.94 -2.12 0.00 0.00 175.29 175.37 1s72 n GLN 254 N -0.26 -0.08 -3.52 2.91 0.00 -1.26 -4.55 117.38 110.62 1s72 n GLN 254 Ca -0.07 0.04 0.00 0.00 -0.00 0.00 0.00 57.00 56.97 1s72 n GLN 254 Cb 0.63 -2.24 0.00 0.00 0.00 0.00 0.00 30.24 28.63 1s72 n GLN 254 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1s72 n GLY 255 N 0.78 -1.50 3.76 1.69 0.00 -0.87 -4.99 105.19 104.05 1s72 n GLY 255 Ca 0.11 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 1s72 n GLY 255 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1s72 s GLN 256 N -1.96 4.15 -0.02 1.61 -0.44 -1.26 -1.36 119.66 120.37 1s72 s GLN 256 Ca 0.00 2.52 -0.01 0.00 -2.50 0.00 0.00 55.36 55.37 1s72 s GLN 256 Cb 0.00 -3.03 0.02 0.00 -1.64 0.00 0.00 33.01 28.37 1s72 s GLN 256 CO 0.00 -0.56 0.05 0.95 0.50 0.00 0.00 175.29 176.23 1s72 s THR 257 N -0.31 -0.04 0.00 -0.34 -4.23 -0.21 -4.73 115.64 105.78 1s72 s THR 257 Ca 0.60 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 1s72 s THR 257 Cb -0.46 -0.09 0.00 0.00 1.34 0.00 0.00 72.50 73.29 1s72 s THR 257 CO 0.51 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 1s72 n GLY 258 N 3.80 0.04 3.58 3.99 0.00 -1.26 -1.29 105.19 114.05 1s72 n GLY 258 Ca -0.22 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 43.77 1s72 n GLY 258 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1s72 n TYR 259 N 0.19 -2.24 -4.45 1.61 9.36 -0.91 -4.66 117.16 116.06 1s72 n TYR 259 Ca 0.00 0.92 -0.25 0.00 3.32 0.00 0.00 57.90 61.89 1s72 n TYR 259 Cb 0.00 -4.78 -0.10 0.00 -0.63 0.00 0.00 39.34 33.82 1s72 n TYR 259 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1s72 s HIS 260 N -3.44 2.28 0.24 2.98 3.76 -1.26 -1.58 115.29 118.27 1s72 s HIS 260 Ca 0.16 -0.34 -0.23 0.00 -0.15 0.00 0.00 55.06 54.50 1s72 s HIS 260 Cb -0.07 -1.03 -0.09 0.00 1.11 0.00 0.00 32.58 32.50 1s72 s HIS 260 CO 0.76 0.65 0.80 -1.14 -0.85 0.00 0.00 174.74 174.96 1s72 s GLN 261 N -3.27 4.42 -0.07 1.40 0.74 -1.26 0.03 119.66 121.65 1s72 s GLN 261 Ca 0.27 1.07 -0.06 0.00 0.05 0.00 0.00 55.36 56.69 1s72 s GLN 261 Cb -0.06 -2.95 0.02 0.00 1.10 0.00 0.00 33.01 31.12 1s72 s GLN 261 CO 0.13 0.40 0.17 1.03 -0.55 0.00 0.00 175.29 176.48 1s72 s ARG 262 N -1.80 0.20 -0.41 1.67 1.81 0.19 -4.92 118.95 115.68 1s72 s ARG 262 Ca 0.43 0.24 0.01 0.00 -1.72 0.00 0.00 55.73 54.70 1s72 s ARG 262 Cb -0.19 0.09 0.11 0.00 -0.45 0.00 0.00 34.95 34.52 1s72 s ARG 262 CO 0.23 -0.03 0.16 0.99 -0.68 0.00 0.00 175.30 175.98 1s72 s THR 263 N 0.11 2.77 -0.28 0.02 2.01 -1.26 -0.46 115.64 118.55 1s72 s THR 263 Ca -0.00 -2.45 -0.27 0.00 0.31 0.00 0.00 61.69 59.28 1s72 s THR 263 Cb -0.01 -2.95 0.01 0.00 0.01 0.00 0.00 72.50 69.55 1s72 s THR 263 CO 0.00 -0.68 0.97 -0.70 -0.69 0.00 0.00 174.62 173.52 1s72 s GLU 264 N 0.72 4.11 0.65 4.92 2.12 0.40 -4.90 118.70 126.71 1s72 s GLU 264 Ca 0.11 1.02 -0.11 0.00 0.36 0.00 0.00 54.97 56.36 1s72 s GLU 264 Cb -0.21 -3.70 -0.02 0.00 0.26 0.00 0.00 34.13 30.46 1s72 s GLU 264 CO -0.05 -0.73 1.05 -0.51 -0.54 0.00 0.00 175.26 174.47 1s72 s LEU 265 N 3.28 3.15 -1.14 2.70 1.02 -1.26 -1.39 118.68 125.03 1s72 s LEU 265 Ca 0.41 1.39 -0.28 0.00 0.02 0.00 0.00 54.13 55.67 1s72 s LEU 265 Cb -0.14 -4.37 0.03 0.00 0.02 0.00 0.00 46.19 41.74 1s72 s LEU 265 CO 0.11 -1.04 0.68 0.59 0.02 0.00 0.00 176.35 176.71 1s72 n ASN 266 N -2.85 -4.39 -4.61 2.29 3.02 -1.23 -4.92 115.26 102.57 1s72 n ASN 266 Ca 0.06 -1.22 -0.39 0.00 -0.03 0.00 0.00 54.58 53.01 1s72 n ASN 266 Cb 0.55 -1.83 -0.09 0.00 -0.61 0.00 0.00 39.78 37.79 1s72 n ASN 266 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1s72 s LYS 267 N -6.89 4.02 0.09 3.52 -0.14 0.20 -4.84 119.74 115.70 1s72 s LYS 267 Ca 0.41 -0.04 -0.30 0.00 -1.36 0.00 0.00 55.97 54.68 1s72 s LYS 267 Cb -0.22 -3.64 -0.06 0.00 -1.68 0.00 0.00 37.83 32.24 1s72 s LYS 267 CO 0.95 -0.21 1.09 0.50 -0.76 0.00 0.00 175.35 176.93 1s72 s ARG 268 N 1.85 4.54 -0.62 1.68 3.52 -1.26 -0.40 118.95 128.26 1s72 s ARG 268 Ca 0.13 1.64 -0.23 0.00 -0.13 0.00 0.00 55.73 57.14 1s72 s ARG 268 Cb -0.16 -3.35 0.06 0.00 -1.56 0.00 0.00 34.95 29.94 1s72 s ARG 268 CO 0.10 -0.05 0.94 -0.51 -0.81 0.00 0.00 175.30 174.96 1s72 s LEU 269 N 0.48 4.35 0.28 -0.88 1.43 -0.28 -1.10 118.68 122.95 1s72 s LEU 269 Ca 0.53 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1s72 s LEU 269 Cb -0.27 -2.53 0.41 0.00 0.03 0.00 0.00 46.19 43.83 1s72 s LEU 269 CO 0.31 -1.35 1.72 0.40 0.23 0.00 0.00 176.35 177.66 1s72 h ILE 270 N 5.98 1.26 -1.65 -0.59 1.08 -1.52 0.95 117.51 123.02 1s72 h ILE 270 Ca -0.28 -1.25 0.10 0.00 -0.39 0.00 0.00 64.86 63.04 1s72 h ILE 270 Cb 1.07 1.33 -0.22 0.00 -3.07 0.00 0.00 36.82 35.93 1s72 h ILE 270 CO 1.14 0.40 0.56 -0.62 -0.69 0.00 0.00 178.15 178.94 1s72 s ASP 271 N -6.81 -0.35 -0.18 1.72 2.15 -1.21 -4.58 116.67 107.40 1s72 s ASP 271 Ca -0.07 0.32 -0.01 0.00 0.43 0.00 0.00 52.55 53.22 1s72 s ASP 271 Cb 0.14 0.30 0.05 0.00 -0.30 0.00 0.00 42.92 43.11 1s72 s ASP 271 CO 0.79 -0.37 -0.00 -0.63 -0.17 0.00 0.00 175.17 174.79 1s72 s ILE 272 N -1.45 0.84 0.00 4.11 1.01 -1.26 -0.49 121.20 123.96 1s72 s ILE 272 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1s72 s ILE 272 Cb -0.01 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.27 1s72 s ILE 272 CO -0.00 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.48 1s72 n GLY 273 N 4.94 5.42 3.57 6.18 0.00 -0.56 -5.00 105.19 119.74 1s72 n GLY 273 Ca -0.10 -1.22 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 1s72 n GLY 273 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s72 s GLU 274 N 1.88 0.95 0.00 1.61 2.12 -1.26 -1.46 118.70 122.55 1s72 s GLU 274 Ca 0.00 0.56 0.00 0.00 0.36 0.00 0.00 54.97 55.89 1s72 s GLU 274 Cb 0.00 0.45 0.00 0.00 0.26 0.00 0.00 34.13 34.84 1s72 s GLU 274 CO 0.00 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 1s72 n GLY 275 N 1.65 0.55 0.32 -1.50 0.00 -0.29 -4.78 105.19 101.14 1s72 n GLY 275 Ca -0.17 -2.21 0.06 0.00 0.00 0.00 0.00 46.02 43.70 1s72 n GLY 275 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s72 n ASP 276 N 0.00 2.66 -0.22 1.61 5.75 -1.26 -1.42 116.55 123.67 1s72 n ASP 276 Ca 0.00 -2.56 0.11 0.00 -0.01 0.00 0.00 54.79 52.33 1s72 n ASP 276 Cb 0.00 -0.29 0.40 0.00 -1.03 0.00 0.00 41.12 40.20 1s72 n ASP 276 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1s72 h GLU 277 N 0.73 0.62 0.00 0.11 5.08 -1.86 -2.49 114.58 116.76 1s72 h GLU 277 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1s72 h GLU 277 Cb 0.90 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1s72 h GLU 277 CO 0.05 0.41 -0.54 -0.35 -1.00 0.00 0.00 179.01 177.58 1s72 n PRO 278 N -4.52 0.14 -1.90 2.33 -0.04 -1.26 -4.89 135.00 124.87 1s72 n PRO 278 Ca 0.15 0.04 -0.37 0.00 -0.04 0.00 0.00 63.50 63.28 1s72 n PRO 278 Cb 0.42 -1.59 0.04 0.00 -0.04 0.00 0.00 33.50 32.33 1s72 n PRO 278 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1s72 s THR 279 N -3.08 2.35 0.08 0.52 2.01 -0.94 -4.86 115.64 111.71 1s72 s THR 279 Ca 0.09 0.24 -0.06 0.00 0.31 0.00 0.00 61.69 62.27 1s72 s THR 279 Cb 0.16 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 1s72 s THR 279 CO 0.70 -0.03 0.32 -0.69 -0.69 0.00 0.00 174.62 174.24 1s72 s VAL 280 N -1.43 5.23 0.33 3.82 1.01 -1.26 -4.60 120.40 123.50 1s72 s VAL 280 Ca 0.75 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.52 1s72 s VAL 280 Cb -0.36 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 1s72 s VAL 280 CO 0.40 0.20 1.53 0.47 0.00 0.00 0.00 175.10 177.70 1s72 n ASP 281 N 0.58 3.75 0.00 3.32 8.00 0.25 -0.79 116.55 131.67 1s72 n ASP 281 Ca -0.06 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.62 1s72 n ASP 281 Cb 0.52 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.03 1s72 n ASP 281 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s72 n GLY 282 N 1.41 3.16 0.00 0.44 0.00 -1.26 -4.07 105.19 104.87 1s72 n GLY 282 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1s72 n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 283 N -1.97 1.21 3.70 -0.02 0.00 0.03 -4.91 105.19 103.23 1s72 n GLY 283 Ca 0.00 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1s72 n GLY 283 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s72 s PHE 284 N -2.64 2.65 0.18 1.61 0.40 0.03 -4.73 117.98 115.50 1s72 s PHE 284 Ca 0.00 0.44 -0.33 0.00 -0.60 0.00 0.00 56.93 56.44 1s72 s PHE 284 Cb 0.00 -3.94 -0.13 0.00 0.51 0.00 0.00 43.02 39.45 1s72 s PHE 284 CO 0.00 -3.68 1.59 0.28 0.70 0.00 0.00 175.22 174.11 1s72 n VAL 285 N 4.46 0.14 -1.31 -0.44 0.31 -1.26 -1.10 118.33 119.14 1s72 n VAL 285 Ca 0.15 -0.04 -0.11 0.00 -0.01 0.00 0.00 64.34 64.34 1s72 n VAL 285 Cb 0.40 -1.63 -0.05 0.00 -0.91 0.00 0.00 33.84 31.66 1s72 n VAL 285 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1s72 n ASN 286 N 3.32 -5.43 0.00 4.52 3.02 -1.26 -4.77 115.26 114.67 1s72 n ASN 286 Ca 0.16 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 1s72 n ASN 286 Cb 0.30 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.62 1s72 n ASN 286 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s72 n TYR 287 N -2.31 0.00 -0.53 3.10 9.36 -0.25 -4.93 117.16 121.60 1s72 n TYR 287 Ca -0.11 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.11 1s72 n TYR 287 Cb 0.54 0.08 0.00 0.00 -0.63 0.00 0.00 39.34 39.33 1s72 n TYR 287 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1s72 n GLY 288 N 2.84 0.43 3.75 2.98 0.00 -0.71 -4.72 105.19 109.78 1s72 n GLY 288 Ca 0.00 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 1s72 n GLY 288 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s72 s GLU 289 N -2.00 3.28 -0.16 1.61 2.02 -1.26 -0.79 118.70 121.40 1s72 s GLU 289 Ca 0.00 -0.29 -0.09 0.00 0.02 0.00 0.00 54.97 54.61 1s72 s GLU 289 Cb 0.00 -3.00 -0.05 0.00 0.10 0.00 0.00 34.13 31.19 1s72 s GLU 289 CO 0.00 0.68 0.13 0.08 0.02 0.00 0.00 175.26 176.18 1s72 s VAL 290 N -0.79 5.45 -0.44 2.63 1.01 -1.26 -4.73 120.40 122.27 1s72 s VAL 290 Ca 0.13 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1s72 s VAL 290 Cb -0.12 -3.43 0.23 0.00 0.00 0.00 0.00 36.38 33.06 1s72 s VAL 290 CO 0.03 0.53 0.95 -0.67 0.00 0.00 0.00 175.10 175.93 1s72 n ASP 291 N 2.79 -2.48 0.00 3.32 2.03 -1.18 -4.13 116.55 116.89 1s72 n ASP 291 Ca -0.18 -2.45 0.00 0.00 0.52 0.00 0.00 54.79 52.68 1s72 n ASP 291 Cb 0.53 1.38 0.00 0.00 -0.72 0.00 0.00 41.12 42.32 1s72 n ASP 291 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s72 n GLY 292 N 2.18 -0.72 3.68 0.27 0.00 -0.51 -4.68 105.19 105.40 1s72 n GLY 292 Ca 0.11 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1s72 n GLY 292 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s72 n PRO 293 N 0.00 2.85 -4.18 1.61 -0.02 -1.26 -1.14 135.00 132.86 1s72 n PRO 293 Ca 0.00 1.04 -0.11 0.00 -2.02 0.00 0.00 63.50 62.41 1s72 n PRO 293 Cb 0.00 -2.96 -0.10 0.00 -0.02 0.00 0.00 33.50 30.42 1s72 n PRO 293 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1s72 s TYR 294 N 3.36 0.94 -0.02 6.00 -0.85 -0.53 -0.93 117.35 125.32 1s72 s TYR 294 Ca 0.84 -1.09 0.02 0.00 -0.52 0.00 0.00 57.07 56.32 1s72 s TYR 294 Cb -0.46 -0.55 0.01 0.00 0.38 0.00 0.00 41.96 41.34 1s72 s TYR 294 CO 0.39 -0.34 -0.06 0.99 -1.52 0.00 0.00 175.55 175.00 1s72 s THR 295 N -3.84 0.55 -0.31 -3.49 2.01 -0.01 -1.50 115.64 109.04 1s72 s THR 295 Ca 0.20 -0.22 -0.10 0.00 0.31 0.00 0.00 61.69 61.88 1s72 s THR 295 Cb 0.07 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 72.06 1s72 s THR 295 CO 0.00 0.19 0.16 -0.76 -0.69 0.00 0.00 174.62 173.51 1s72 s LEU 296 N 0.29 4.12 -0.18 4.42 1.43 0.35 -1.23 118.68 127.89 1s72 s LEU 296 Ca -0.04 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.50 1s72 s LEU 296 Cb -0.08 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 1s72 s LEU 296 CO -0.00 -0.19 0.11 -0.69 0.23 0.00 0.00 176.35 175.81 1s72 s VAL 297 N 1.63 5.24 0.19 -1.59 1.01 -0.66 -1.29 120.40 124.94 1s72 s VAL 297 Ca 0.05 0.13 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 1s72 s VAL 297 Cb -0.17 -3.36 -0.10 0.00 0.00 0.00 0.00 36.38 32.75 1s72 s VAL 297 CO 0.07 0.49 1.56 -0.75 0.00 0.00 0.00 175.10 176.46 1s72 s LYS 298 N 0.03 4.21 3.89 2.72 2.20 -0.26 -0.78 119.74 131.75 1s72 s LYS 298 Ca 0.08 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 1s72 s LYS 298 Cb -0.12 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1s72 s LYS 298 CO -0.00 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 1s72 n GLY 299 N 3.37 0.32 3.82 5.54 0.00 0.01 -4.63 105.19 113.61 1s72 n GLY 299 Ca 0.12 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1s72 n GLY 299 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s72 s SER 300 N -4.00 5.47 -0.02 1.61 1.04 -1.26 -3.14 113.70 113.41 1s72 s SER 300 Ca 0.00 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.18 1s72 s SER 300 Cb 0.00 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.74 1s72 s SER 300 CO 0.00 -0.04 -0.08 -0.69 0.98 0.00 0.00 173.24 173.42 1s72 s VAL 301 N -2.14 0.67 0.70 5.02 1.01 -1.26 -5.03 120.40 119.36 1s72 s VAL 301 Ca 0.33 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 1s72 s VAL 301 Cb -0.08 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.73 1s72 s VAL 301 CO 0.25 0.21 1.25 -2.16 0.00 0.00 0.00 175.10 174.64 1s72 s PRO 302 N 0.07 2.29 0.00 2.72 0.04 -1.26 -4.87 135.00 134.00 1s72 s PRO 302 Ca -0.01 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1s72 s PRO 302 Cb -0.06 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1s72 s PRO 302 CO 0.00 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 175.69 1s72 n GLY 303 N 0.68 1.26 3.98 0.56 0.00 -1.25 -4.71 105.19 105.71 1s72 n GLY 303 Ca 0.15 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 1s72 n GLY 303 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s72 s PRO 304 N -2.64 2.52 0.32 1.61 0.04 -1.26 -4.66 135.00 130.92 1s72 s PRO 304 Ca 0.00 -0.83 -0.29 0.00 0.04 0.00 0.00 61.00 59.92 1s72 s PRO 304 Cb 0.00 -2.50 -0.12 0.00 0.04 0.00 0.00 34.50 31.92 1s72 s PRO 304 CO 0.00 -0.72 1.49 -0.25 0.04 0.00 0.00 177.00 177.55 1s72 n ASP 305 N -2.34 3.48 0.00 6.66 8.00 -1.26 -1.75 116.55 129.34 1s72 n ASP 305 Ca 0.08 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.76 1s72 n ASP 305 Cb 0.60 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 1s72 n ASP 305 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1s72 n LYS 306 N 1.40 0.00 -2.46 -1.24 5.02 0.55 -4.97 118.16 116.47 1s72 n LYS 306 Ca 0.06 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.01 1s72 n LYS 306 Cb 0.36 -0.47 -0.02 0.00 -0.02 0.00 0.00 35.03 34.88 1s72 n LYS 306 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1s72 s ARG 307 N -0.59 3.68 0.02 1.97 3.52 -0.72 -4.60 118.95 122.24 1s72 s ARG 307 Ca 0.00 1.44 -0.30 0.00 -0.13 0.00 0.00 55.73 56.74 1s72 s ARG 307 Cb 0.00 -2.08 -0.04 0.00 -1.56 0.00 0.00 34.95 31.26 1s72 s ARG 307 CO 0.00 -0.55 1.14 -1.17 -0.81 0.00 0.00 175.30 173.91 1s72 s LEU 308 N -3.55 4.35 0.13 -0.88 2.96 -1.26 -1.85 118.68 118.57 1s72 s LEU 308 Ca 0.69 1.88 0.11 0.00 -0.22 0.00 0.00 54.13 56.59 1s72 s LEU 308 Cb -0.19 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 1s72 s LEU 308 CO 0.22 -0.44 -0.27 0.68 -1.32 0.00 0.00 176.35 175.22 1s72 s VAL 309 N 1.29 2.23 -0.01 1.68 -7.23 -0.16 -4.65 120.40 113.55 1s72 s VAL 309 Ca 0.56 -1.74 0.05 0.00 -1.81 0.00 0.00 61.98 59.04 1s72 s VAL 309 Cb -0.26 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 1s72 s VAL 309 CO 0.27 0.09 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.88 1s72 s ARG 310 N -2.03 2.36 0.05 4.82 0.52 -0.83 -1.91 118.95 121.94 1s72 s ARG 310 Ca 0.14 -0.80 0.05 0.00 -0.52 0.00 0.00 55.73 54.60 1s72 s ARG 310 Cb -0.10 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.00 1s72 s ARG 310 CO 0.06 0.59 -0.06 -0.06 0.02 0.00 0.00 175.30 175.85 1s72 s PHE 311 N -0.84 2.86 -0.17 -0.53 0.40 0.18 -1.46 117.98 118.42 1s72 s PHE 311 Ca 0.13 -0.08 -0.17 0.00 -0.60 0.00 0.00 56.93 56.22 1s72 s PHE 311 Cb -0.11 -1.54 0.05 0.00 0.51 0.00 0.00 43.02 41.93 1s72 s PHE 311 CO 0.03 0.41 0.48 0.50 0.70 0.00 0.00 175.22 177.34 1s72 s ARG 312 N -1.84 0.58 0.22 0.44 3.52 -0.69 -1.59 118.95 119.59 1s72 s ARG 312 Ca 0.20 0.61 -0.32 0.00 -0.13 0.00 0.00 55.73 56.10 1s72 s ARG 312 Cb -0.11 0.28 -0.12 0.00 -1.56 0.00 0.00 34.95 33.44 1s72 s ARG 312 CO 0.12 -0.08 1.70 -2.30 -0.81 0.00 0.00 175.30 173.93 1s72 n PRO 313 N 2.69 2.76 -1.48 5.12 -0.02 -1.26 0.68 135.00 143.49 1s72 n PRO 313 Ca -0.14 0.99 -0.53 0.00 -2.02 0.00 0.00 63.50 61.80 1s72 n PRO 313 Cb 0.57 -2.83 -0.05 0.00 -0.02 0.00 0.00 33.50 31.17 1s72 n PRO 313 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s72 n ALA 314 N 3.63 -2.79 0.41 3.55 0.00 -0.49 -4.61 120.51 120.21 1s72 n ALA 314 Ca 0.15 0.51 0.11 0.00 0.00 0.00 0.00 53.44 54.21 1s72 n ALA 314 Cb 0.35 -1.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.04 1s72 n ALA 314 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1s72 n VAL 315 N 0.94 0.24 -3.02 0.00 0.24 -1.26 -4.58 118.33 110.89 1s72 n VAL 315 Ca 0.18 -0.33 -0.17 0.00 -2.04 0.00 0.00 64.34 61.98 1s72 n VAL 315 Cb 0.18 0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 32.60 1s72 n VAL 315 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1s72 n ARG 316 N -2.14 0.68 -2.38 7.34 1.85 -1.26 -4.95 116.66 115.80 1s72 n ARG 316 Ca 0.01 -2.59 -0.33 0.00 -1.00 0.00 0.00 57.85 53.94 1s72 n ARG 316 Cb 0.47 -1.36 -0.02 0.00 -1.05 0.00 0.00 32.46 30.50 1s72 n ARG 316 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1s72 s PRO 317 N -0.24 3.67 -0.21 2.89 0.02 -1.26 -4.87 135.00 135.00 1s72 s PRO 317 Ca 0.33 1.27 0.10 0.00 0.02 0.00 0.00 61.00 62.72 1s72 s PRO 317 Cb 0.17 -2.08 -0.20 0.00 0.02 0.00 0.00 34.50 32.41 1s72 s PRO 317 CO -0.17 -0.53 -0.06 0.09 -0.33 0.00 0.00 177.00 176.00 1s72 n ASN 318 N -1.35 1.12 -4.82 2.53 3.02 -1.26 -5.01 115.26 109.49 1s72 n ASN 318 Ca 0.09 -0.06 -0.22 0.00 -0.03 0.00 0.00 54.58 54.36 1s72 n ASN 318 Cb 0.53 0.34 -0.04 0.00 -0.61 0.00 0.00 39.78 40.00 1s72 n ASN 318 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1s72 s ASP 319 N -5.83 5.23 0.31 6.41 1.01 -1.26 -5.12 116.67 117.43 1s72 s ASP 319 Ca -0.20 -0.47 -0.20 0.00 0.71 0.00 0.00 52.55 52.38 1s72 s ASP 319 Cb 0.07 -1.05 -0.09 0.00 1.01 0.00 0.00 42.92 42.86 1s72 s ASP 319 CO 0.68 -0.24 0.82 -1.58 0.21 0.00 0.00 175.17 175.06 1s72 s GLN 320 N -3.91 4.25 0.28 8.23 2.00 -1.26 -5.01 119.66 124.23 1s72 s GLN 320 Ca 0.38 0.96 -0.29 0.00 -2.00 0.00 0.00 55.36 54.40 1s72 s GLN 320 Cb -0.06 -2.59 -0.10 0.00 0.80 0.00 0.00 33.01 31.06 1s72 s GLN 320 CO 0.25 0.22 1.37 -2.14 -0.50 0.00 0.00 175.29 174.49 1s72 s PRO 321 N -2.52 4.32 -0.49 1.67 0.02 -1.26 -4.97 135.00 131.76 1s72 s PRO 321 Ca 0.52 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.81 1s72 s PRO 321 Cb -0.14 -3.10 0.14 0.00 0.02 0.00 0.00 34.50 31.42 1s72 s PRO 321 CO 0.19 -0.31 0.27 1.03 -0.33 0.00 0.00 177.00 177.85 1s72 s ARG 322 N -0.95 1.68 0.88 5.54 0.52 -1.25 -5.05 118.95 120.33 1s72 s ARG 322 Ca 0.55 -2.39 -0.12 0.00 -0.52 0.00 0.00 55.73 53.25 1s72 s ARG 322 Cb -0.40 -2.86 0.09 0.00 0.52 0.00 0.00 34.95 32.30 1s72 s ARG 322 CO 0.47 -1.15 0.94 1.28 0.02 0.00 0.00 175.30 176.86 1s72 n LEU 323 N 3.23 2.59 -2.06 2.53 4.77 -1.26 -4.42 117.00 122.39 1s72 n LEU 323 Ca 0.08 0.46 -0.13 0.00 -0.03 0.00 0.00 56.01 56.39 1s72 n LEU 323 Cb 0.34 -1.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.03 1s72 n LEU 323 CO 0.29 -2.46 -0.10 0.47 -1.33 0.00 0.00 177.39 174.26 1s72 n ASP 324 N -2.99 -1.85 -4.77 -1.43 9.92 0.18 -4.88 116.55 110.73 1s72 n ASP 324 Ca 0.11 -0.11 -0.37 0.00 -0.53 0.00 0.00 54.79 53.89 1s72 n ASP 324 Cb 0.52 -0.55 -0.01 0.00 -0.64 0.00 0.00 41.12 40.44 1s72 n ASP 324 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1s72 s PRO 325 N -1.23 3.74 -0.16 -0.24 0.02 -1.26 -4.96 135.00 130.92 1s72 s PRO 325 Ca 0.11 1.83 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 1s72 s PRO 325 Cb -0.01 -2.43 -0.01 0.00 0.02 0.00 0.00 34.50 32.07 1s72 s PRO 325 CO 0.31 -0.58 1.20 -2.00 -0.33 0.00 0.00 177.00 175.59 1s72 s GLU 326 N -2.66 4.27 -0.39 5.54 2.12 -1.26 -4.99 118.70 121.32 1s72 s GLU 326 Ca 0.63 1.59 -0.13 0.00 0.36 0.00 0.00 54.97 57.43 1s72 s GLU 326 Cb -0.30 -3.70 0.02 0.00 0.26 0.00 0.00 34.13 30.42 1s72 s GLU 326 CO 0.37 -0.63 0.26 0.08 -0.54 0.00 0.00 175.26 174.79 1s72 s VAL 327 N 3.17 4.94 -0.21 3.70 1.01 -1.26 -2.26 120.40 129.48 1s72 s VAL 327 Ca 0.53 -0.76 0.20 0.00 0.00 0.00 0.00 61.98 61.95 1s72 s VAL 327 Cb -0.21 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1s72 s VAL 327 CO 0.14 -0.28 1.05 0.03 0.00 0.00 0.00 175.10 176.04 1s72 h ARG 328 N 8.54 0.00 -2.06 2.72 3.08 -1.53 -3.48 114.38 121.64 1s72 h ARG 328 Ca -0.26 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1s72 h ARG 328 Cb 1.11 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.95 1s72 h ARG 328 CO 0.70 0.12 0.06 -0.47 -1.07 0.00 0.00 179.97 179.32 1s72 s TYR 329 N -3.18 -0.84 -0.17 3.04 5.04 -1.15 -4.94 117.35 115.14 1s72 s TYR 329 Ca -0.00 1.92 0.01 0.00 -2.44 0.00 0.00 57.07 56.55 1s72 s TYR 329 Cb 0.09 0.36 0.03 0.00 0.35 0.00 0.00 41.96 42.79 1s72 s TYR 329 CO 0.78 -0.41 -0.15 0.08 -1.34 0.00 0.00 175.55 174.52 1s72 s VAL 330 N 0.75 1.76 0.16 3.14 1.01 -1.26 0.45 120.40 126.40 1s72 s VAL 330 Ca -0.03 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1s72 s VAL 330 Cb -0.05 -1.68 -0.08 0.00 0.00 0.00 0.00 36.38 34.57 1s72 s VAL 330 CO -0.05 0.39 1.24 -0.55 0.00 0.00 0.00 175.10 176.12 1s72 s SER 331 N 1.39 7.03 -0.03 3.32 0.15 -0.72 -4.89 113.70 119.94 1s72 s SER 331 Ca 0.03 2.23 0.05 0.00 0.70 0.00 0.00 55.95 58.96 1s72 s SER 331 Cb -0.14 -2.60 0.09 0.00 -1.71 0.00 0.00 66.02 61.66 1s72 s SER 331 CO -0.10 -0.44 1.05 0.59 1.20 0.00 0.00 173.24 175.53 1s72 n ASN 332 N 2.92 2.15 -4.77 5.45 3.02 -1.26 -4.68 115.26 118.08 1s72 n ASN 332 Ca 0.06 -2.27 -0.41 0.00 -0.03 0.00 0.00 54.58 51.93 1s72 n ASN 332 Cb 0.44 -0.12 -0.00 0.00 -0.61 0.00 0.00 39.78 39.49 1s72 n ASN 332 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1s72 s GLU 333 N -1.47 4.11 0.35 3.52 2.12 -1.26 -0.58 118.70 125.49 1s72 s GLU 333 Ca 0.09 2.58 -0.26 0.00 0.36 0.00 0.00 54.97 57.74 1s72 s GLU 333 Cb 0.08 -2.98 -0.13 0.00 0.26 0.00 0.00 34.13 31.36 1s72 s GLU 333 CO 0.01 -0.55 0.87 0.45 -0.54 0.00 0.00 175.26 175.50 1s72 n SER 334 N 0.79 0.60 -0.62 -1.70 2.88 -1.26 -4.29 113.62 110.02 1s72 n SER 334 Ca 0.02 1.07 0.11 0.00 -1.33 0.00 0.00 58.87 58.75 1s72 n SER 334 Cb 0.39 -1.24 0.37 0.00 -0.75 0.00 0.00 64.21 62.97 1s72 n SER 334 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1s72 n ASN 335 N 1.08 1.88 -4.36 -3.46 3.02 -1.26 -4.73 115.26 107.43 1s72 n ASN 335 Ca 0.11 -1.72 -0.37 0.00 -0.03 0.00 0.00 54.58 52.57 1s72 n ASN 335 Cb 0.35 -0.10 -0.13 0.00 -0.61 0.00 0.00 39.78 39.29 1s72 n ASN 335 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1s72 s GLN 336 N -1.79 3.28 0.00 3.52 -0.21 -1.26 -4.98 119.66 118.22 1s72 s GLN 336 Ca 0.33 -0.72 0.00 0.00 0.02 0.00 0.00 55.36 54.99 1s72 s GLN 336 Cb 0.18 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.89 1s72 s GLN 336 CO 0.28 -0.34 0.00 0.41 -2.12 0.00 0.00 175.29 173.52