#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rwt n PRO 15 N 0.00 0.16 0.00 4.33 -0.02 -1.26 -3.37 135.00 134.83 1rwt n PRO 15 Ca 0.00 0.27 0.08 0.00 -2.02 0.00 0.00 63.50 61.83 1rwt n PRO 15 Cb 0.00 -1.74 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 1rwt n PRO 15 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1rwt n TRP 16 N -2.02 0.00 -4.20 6.00 7.02 -1.26 -1.41 117.44 121.56 1rwt n TRP 16 Ca 0.04 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.40 1rwt n TRP 16 Cb 0.30 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.09 1rwt n TRP 16 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1rwt s TYR 17 N -2.14 1.10 0.00 -5.99 2.02 -1.22 -4.69 117.35 106.44 1rwt s TYR 17 Ca 0.10 -1.27 0.00 0.00 -0.37 0.00 0.00 57.07 55.53 1rwt s TYR 17 Cb 0.13 -0.58 0.00 0.00 -0.40 0.00 0.00 41.96 41.10 1rwt s TYR 17 CO 0.50 -0.52 0.00 0.41 -1.57 0.00 0.00 175.55 174.37 1rwt n GLY 18 N -0.23 -1.37 0.28 0.71 0.00 -0.10 -3.26 105.19 101.22 1rwt n GLY 18 Ca -0.02 -1.55 0.14 0.00 0.00 0.00 0.00 46.02 44.60 1rwt n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rwt h PRO 19 N 0.00 0.00 -0.48 1.61 0.13 -1.89 -3.04 132.00 128.33 1rwt h PRO 19 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1rwt h PRO 19 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1rwt h PRO 19 CO 0.00 0.07 0.00 -0.25 -0.23 0.00 0.00 178.00 177.59 1rwt n ASP 20 N -3.65 5.10 -4.72 1.44 8.00 -1.26 -5.00 116.55 116.46 1rwt n ASP 20 Ca -0.02 -2.92 -0.31 0.00 0.71 0.00 0.00 54.79 52.24 1rwt n ASP 20 Cb 0.17 -0.63 0.13 0.00 -0.02 0.00 0.00 41.12 40.77 1rwt n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rwt s ARG 21 N -2.71 1.65 0.43 -1.24 1.70 -1.15 -4.93 118.95 112.70 1rwt s ARG 21 Ca 0.50 1.44 -0.25 0.00 -0.47 0.00 0.00 55.73 56.96 1rwt s ARG 21 Cb 0.39 -1.81 -0.08 0.00 -0.57 0.00 0.00 34.95 32.88 1rwt s ARG 21 CO 0.14 -2.14 1.23 0.14 -1.08 0.00 0.00 175.30 173.59 1rwt s VAL 22 N -2.65 2.88 0.24 4.99 -7.23 -0.50 -5.01 120.40 113.11 1rwt s VAL 22 Ca 0.66 0.72 0.10 0.00 -1.81 0.00 0.00 61.98 61.65 1rwt s VAL 22 Cb -0.21 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 1rwt s VAL 22 CO 0.55 0.05 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.78 1rwt s LYS 23 N -2.44 2.08 0.33 4.82 -0.14 -1.26 -4.52 119.74 118.61 1rwt s LYS 23 Ca 0.60 -1.44 0.23 0.00 -1.36 0.00 0.00 55.97 54.00 1rwt s LYS 23 Cb -0.33 -2.08 1.21 0.00 -1.68 0.00 0.00 37.83 34.95 1rwt s LYS 23 CO 0.42 0.38 1.72 0.10 -0.76 0.00 0.00 175.35 177.20 1rwt h TYR 24 N 2.32 0.00 -0.17 3.18 -0.00 -1.57 -1.67 116.97 119.05 1rwt h TYR 24 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 1rwt h TYR 24 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.97 1rwt h TYR 24 CO 0.70 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.14 1rwt n LEU 25 N -2.31 3.03 0.00 0.10 4.77 -1.26 -5.04 117.00 116.28 1rwt n LEU 25 Ca -0.01 -2.70 0.00 0.00 -0.03 0.00 0.00 56.01 53.27 1rwt n LEU 25 Cb 0.08 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1rwt n LEU 25 CO 0.13 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1rwt n GLY 26 N -0.55 3.47 0.29 -0.72 0.00 -0.63 -1.86 105.19 105.19 1rwt n GLY 26 Ca 0.15 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1rwt n GLY 26 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rwt h PRO 27 N 0.00 0.00 -0.63 1.61 0.11 -1.98 -2.52 132.00 128.59 1rwt h PRO 27 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1rwt h PRO 27 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1rwt h PRO 27 CO 0.00 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.98 1rwt n PHE 28 N -3.98 1.19 0.31 0.65 3.01 -0.78 -4.54 117.46 113.33 1rwt n PHE 28 Ca -0.03 -0.48 0.19 0.00 1.01 0.00 0.00 57.45 58.14 1rwt n PHE 28 Cb 0.09 -0.20 1.03 0.00 -0.01 0.00 0.00 39.48 40.39 1rwt n PHE 28 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1rwt h SER 29 N 3.31 0.00 0.00 4.37 0.02 -1.52 -3.47 113.55 116.26 1rwt h SER 29 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rwt h SER 29 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1rwt h SER 29 CO 0.18 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 1rwt n GLY 30 N -1.04 0.86 3.72 -3.77 0.00 -1.26 -4.54 105.19 99.16 1rwt n GLY 30 Ca -0.03 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1rwt n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rwt s GLU 31 N 0.00 4.50 0.43 1.61 8.01 -1.26 -5.04 118.70 126.95 1rwt s GLU 31 Ca 0.00 1.68 -0.02 0.00 0.01 0.00 0.00 54.97 56.64 1rwt s GLU 31 Cb 0.00 -3.36 -0.03 0.00 -4.31 0.00 0.00 34.13 26.44 1rwt s GLU 31 CO 0.00 -0.13 0.67 -1.54 0.01 0.00 0.00 175.26 174.27 1rwt s SER 32 N 0.78 6.16 0.29 -0.19 1.04 -1.26 -5.02 113.70 115.50 1rwt s SER 32 Ca 0.55 0.60 -0.28 0.00 0.48 0.00 0.00 55.95 57.30 1rwt s SER 32 Cb -0.27 -2.00 -0.14 0.00 0.10 0.00 0.00 66.02 63.71 1rwt s SER 32 CO 0.30 -0.51 1.03 -2.65 0.98 0.00 0.00 173.24 172.39 1rwt n PRO 33 N -2.05 1.39 0.24 4.02 -0.02 -1.26 -4.86 135.00 132.46 1rwt n PRO 33 Ca -0.01 0.49 0.10 0.00 -2.02 0.00 0.00 63.50 62.05 1rwt n PRO 33 Cb 0.56 -1.87 0.62 0.00 -0.02 0.00 0.00 33.50 32.79 1rwt n PRO 33 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1rwt h SER 34 N 2.07 0.00 0.37 2.55 4.64 -2.00 -2.34 113.55 118.84 1rwt h SER 34 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1rwt h SER 34 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1rwt h SER 34 CO 0.61 0.17 -0.16 0.00 -0.87 0.00 0.00 176.83 176.58 1rwt n TYR 35 N -3.86 0.00 -3.51 4.77 0.18 -1.26 -4.37 117.16 109.11 1rwt n TYR 35 Ca -0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.34 1rwt n TYR 35 Cb 0.26 -0.19 -0.05 0.00 -0.38 0.00 0.00 39.34 38.98 1rwt n TYR 35 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1rwt s LEU 36 N -2.54 6.02 0.00 -3.48 1.43 -0.88 -4.90 118.68 114.33 1rwt s LEU 36 Ca 0.26 -3.00 0.27 0.00 -1.03 0.00 0.00 54.13 50.63 1rwt s LEU 36 Cb 0.20 -2.05 0.93 0.00 0.03 0.00 0.00 46.19 45.30 1rwt s LEU 36 CO 0.50 -0.41 1.68 0.35 0.23 0.00 0.00 176.35 178.69 1rwt n THR 37 N 3.42 0.00 -1.42 5.49 -2.24 -1.26 -4.72 114.28 113.55 1rwt n THR 37 Ca 0.14 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1rwt n THR 37 Cb 0.42 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1rwt n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rwt n GLY 38 N 1.22 0.87 0.12 3.38 0.00 -1.26 -4.29 105.19 105.22 1rwt n GLY 38 Ca 0.17 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 1rwt n GLY 38 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rwt n GLU 39 N -0.97 0.69 -4.03 1.61 2.13 -1.26 -0.92 120.64 117.89 1rwt n GLU 39 Ca 0.00 0.19 -0.25 0.00 0.66 0.00 0.00 57.16 57.76 1rwt n GLU 39 Cb 0.35 -1.65 -0.04 0.00 0.27 0.00 0.00 31.44 30.37 1rwt n GLU 39 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1rwt s PHE 40 N -2.55 3.29 0.32 4.31 0.08 -1.26 -5.00 117.98 117.17 1rwt s PHE 40 Ca -0.19 0.01 -0.29 0.00 0.12 0.00 0.00 56.93 56.58 1rwt s PHE 40 Cb 0.07 -1.55 -0.11 0.00 -0.57 0.00 0.00 43.02 40.87 1rwt s PHE 40 CO 0.75 0.51 1.50 -2.14 -0.10 0.00 0.00 175.22 175.74 1rwt s PRO 41 N -3.39 4.17 0.00 0.24 0.02 -1.26 -2.92 135.00 131.86 1rwt s PRO 41 Ca 0.33 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1rwt s PRO 41 Cb -0.10 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1rwt s PRO 41 CO 0.26 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 1rwt n GLY 42 N 1.48 0.75 3.55 0.52 0.00 -1.26 -4.98 105.19 105.26 1rwt n GLY 42 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1rwt n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rwt s ASP 43 N -2.51 5.41 -0.12 1.61 -1.08 -1.15 -4.74 116.67 114.11 1rwt s ASP 43 Ca 0.00 0.06 0.16 0.00 -0.52 0.00 0.00 52.55 52.25 1rwt s ASP 43 Cb 0.00 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.51 1rwt s ASP 43 CO 0.00 -2.32 1.50 -1.22 0.52 0.00 0.00 175.17 173.65 1rwt n TYR 44 N 12.31 1.16 -1.95 -5.34 4.02 -1.26 -4.86 117.16 121.24 1rwt n TYR 44 Ca 0.20 -0.68 -0.10 0.00 -0.01 0.00 0.00 57.90 57.32 1rwt n TYR 44 Cb 0.51 -0.24 -0.01 0.00 -0.02 0.00 0.00 39.34 39.57 1rwt n TYR 44 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1rwt n GLY 45 N 0.46 0.27 3.34 2.72 0.00 -1.26 -1.36 105.19 109.36 1rwt n GLY 45 Ca 0.22 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1rwt n GLY 45 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1rwt s TRP 46 N -2.46 3.26 -0.41 1.61 -0.00 -1.26 -4.49 118.94 115.19 1rwt s TRP 46 Ca 0.00 -1.14 0.08 0.00 -0.00 0.00 0.00 56.10 55.04 1rwt s TRP 46 Cb 0.00 -2.53 0.37 0.00 -0.00 0.00 0.00 33.47 31.31 1rwt s TRP 46 CO 0.00 -0.70 1.32 -3.47 -0.00 0.00 0.00 176.95 174.09 1rwt n ASP 47 N 4.96 -1.98 -0.09 5.86 4.64 -1.26 -5.00 116.55 123.68 1rwt n ASP 47 Ca -0.12 -2.67 0.25 0.00 -1.38 0.00 0.00 54.79 50.88 1rwt n ASP 47 Cb 0.45 1.18 0.72 0.00 -1.04 0.00 0.00 41.12 42.43 1rwt n ASP 47 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1rwt h THR 48 N 2.15 0.52 -0.04 5.18 1.35 -2.04 0.35 112.91 120.39 1rwt h THR 48 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1rwt h THR 48 Cb 1.26 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1rwt h THR 48 CO -0.04 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.23 1rwt n ALA 49 N -2.60 2.55 -3.95 6.62 0.00 -1.26 -4.96 120.51 116.91 1rwt n ALA 49 Ca 0.15 -0.49 -0.31 0.00 0.00 0.00 0.00 53.44 52.78 1rwt n ALA 49 Cb 0.84 -1.11 0.02 0.00 0.00 0.00 0.00 19.45 19.20 1rwt n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rwt n GLY 50 N 1.20 -0.49 0.02 0.00 0.00 0.12 -4.87 105.19 101.17 1rwt n GLY 50 Ca 0.18 0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.52 1rwt n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rwt n LEU 51 N -4.63 0.21 -0.19 0.99 4.77 -1.26 -3.57 117.00 113.30 1rwt n LEU 51 Ca 0.05 0.47 0.09 0.00 -0.03 0.00 0.00 56.01 56.59 1rwt n LEU 51 Cb 0.52 -0.44 0.16 0.00 -2.33 0.00 0.00 43.42 41.33 1rwt n LEU 51 CO 0.77 -0.03 0.52 -1.20 -1.33 0.00 0.00 177.39 176.12 1rwt n SER 52 N -1.66 2.21 -0.27 -1.43 7.64 -1.26 -4.73 113.62 114.12 1rwt n SER 52 Ca 0.07 -3.27 0.04 0.00 1.01 0.00 0.00 58.87 56.71 1rwt n SER 52 Cb 0.36 -0.45 0.26 0.00 -1.01 0.00 0.00 64.21 63.37 1rwt n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rwt h ALA 53 N 0.23 1.54 -2.14 -0.43 0.00 -1.96 -3.39 119.26 113.11 1rwt h ALA 53 Ca 0.00 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.30 1rwt h ALA 53 Cb 1.00 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1rwt h ALA 53 CO 0.00 0.33 0.66 0.34 0.00 0.00 0.00 179.25 180.58 1rwt s ASP 54 N -6.08 6.94 0.46 0.00 -1.08 -1.26 -4.94 116.67 110.72 1rwt s ASP 54 Ca -0.11 1.15 0.21 0.00 -0.52 0.00 0.00 52.55 53.28 1rwt s ASP 54 Cb 0.20 -2.49 1.21 0.00 -1.46 0.00 0.00 42.92 40.37 1rwt s ASP 54 CO 0.79 -0.65 1.90 1.55 0.52 0.00 0.00 175.17 179.29 1rwt h PRO 55 N 7.69 0.25 -0.17 4.34 0.13 -1.99 0.19 132.00 142.44 1rwt h PRO 55 Ca -0.21 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.88 1rwt h PRO 55 Cb 1.07 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1rwt h PRO 55 CO 0.94 0.17 -0.01 1.49 -0.23 0.00 0.00 178.00 180.36 1rwt h GLU 56 N 0.26 0.31 -0.19 0.86 4.57 -1.92 -1.76 114.58 116.71 1rwt h GLU 56 Ca 0.40 -0.10 -0.14 0.00 -1.18 0.00 0.00 59.36 58.34 1rwt h GLU 56 Cb 1.17 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1rwt h GLU 56 CO -0.10 0.53 -0.47 1.15 -1.18 0.00 0.00 179.01 178.95 1rwt h THR 57 N 0.05 1.32 -0.96 0.32 2.02 -1.65 -2.91 112.91 111.10 1rwt h THR 57 Ca 0.05 -1.67 0.06 0.00 0.77 0.00 0.00 66.41 65.62 1rwt h THR 57 Cb 0.40 1.68 -0.06 0.00 -1.74 0.00 0.00 68.15 68.42 1rwt h THR 57 CO 0.01 0.52 0.62 0.15 0.37 0.00 0.00 175.52 177.19 1rwt h PHE 58 N 0.40 1.13 -0.54 3.16 3.57 -0.51 0.99 116.94 125.14 1rwt h PHE 58 Ca 0.02 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 1rwt h PHE 58 Cb 0.97 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1rwt h PHE 58 CO 0.04 0.59 -0.03 0.00 -2.23 0.00 0.00 178.31 176.68 1rwt h ALA 59 N 1.48 0.73 -0.51 2.41 0.00 -1.13 -1.53 119.26 120.70 1rwt h ALA 59 Ca 0.41 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1rwt h ALA 59 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1rwt h ALA 59 CO -0.16 0.58 0.02 0.87 0.00 0.00 0.00 179.25 180.56 1rwt h LYS 60 N 0.85 0.89 -0.12 0.00 1.79 -1.08 -2.52 116.57 116.37 1rwt h LYS 60 Ca 0.15 -0.27 -0.06 0.00 -2.18 0.00 0.00 60.65 58.28 1rwt h LYS 60 Cb 0.57 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1rwt h LYS 60 CO 0.03 0.91 -0.20 -0.91 -1.08 0.00 0.00 179.45 178.20 1rwt h ASN 61 N 0.76 0.20 -0.17 0.86 2.35 -0.70 -0.60 115.58 118.28 1rwt h ASN 61 Ca 0.15 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 1rwt h ASN 61 Cb 0.49 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1rwt h ASN 61 CO 0.02 0.42 -0.26 0.03 -1.65 0.00 0.00 177.43 175.99 1rwt h ARG 62 N 0.19 0.64 -0.21 0.81 3.08 -1.01 -1.39 114.38 116.50 1rwt h ARG 62 Ca 0.03 -0.26 -0.14 0.00 0.07 0.00 0.00 59.98 59.68 1rwt h ARG 62 Cb 0.48 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1rwt h ARG 62 CO 0.03 0.84 -0.42 0.93 -1.07 0.00 0.00 179.97 180.28 1rwt h GLU 63 N 0.56 0.65 -0.86 0.04 5.08 -0.99 -2.30 114.58 116.76 1rwt h GLU 63 Ca 0.08 -0.42 0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1rwt h GLU 63 Cb 0.73 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 1rwt h GLU 63 CO 0.06 1.04 0.56 -0.07 -1.00 0.00 0.00 179.01 179.60 1rwt h LEU 64 N 0.34 0.96 -0.04 1.33 3.38 -1.01 -1.85 115.31 118.43 1rwt h LEU 64 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1rwt h LEU 64 Cb 1.03 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1rwt h LEU 64 CO 0.09 0.69 0.00 -0.08 0.09 0.00 0.00 178.44 179.23 1rwt h GLU 65 N 1.13 0.07 -0.76 1.13 4.81 -1.19 -0.43 114.58 119.35 1rwt h GLU 65 Ca 0.32 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1rwt h GLU 65 Cb -0.09 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1rwt h GLU 65 CO -0.08 0.36 0.26 0.28 -0.73 0.00 0.00 179.01 179.09 1rwt h VAL 66 N -0.22 1.26 -0.04 0.32 2.07 -1.34 0.21 116.25 118.51 1rwt h VAL 66 Ca 0.01 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1rwt h VAL 66 Cb 0.32 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1rwt h VAL 66 CO 0.00 0.35 -0.00 0.40 0.02 0.00 0.00 177.57 178.34 1rwt h ILE 67 N 1.12 1.27 -0.87 4.57 1.08 -1.34 -1.34 117.51 122.00 1rwt h ILE 67 Ca 0.25 -0.82 0.10 0.00 -0.39 0.00 0.00 64.86 64.00 1rwt h ILE 67 Cb 0.28 1.73 -0.06 0.00 -3.07 0.00 0.00 36.82 35.70 1rwt h ILE 67 CO -0.01 0.22 0.56 0.45 -0.69 0.00 0.00 178.15 178.68 1rwt h HIS 68 N -0.24 0.92 0.09 1.37 3.86 -0.89 -2.09 115.15 118.17 1rwt h HIS 68 Ca 0.01 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1rwt h HIS 68 Cb 0.36 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.49 1rwt h HIS 68 CO 0.04 0.42 -0.29 0.00 0.86 0.00 0.00 177.93 178.96 1rwt h ARG 70 N -0.49 1.05 -0.42 0.00 3.08 -0.80 -1.35 114.38 115.45 1rwt h ARG 70 Ca 0.04 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.77 1rwt h ARG 70 Cb 0.53 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1rwt h ARG 70 CO -0.19 0.89 -0.18 -1.49 -1.07 0.00 0.00 179.97 177.93 1rwt h TRP 71 N 1.02 0.90 0.00 3.04 4.06 -1.16 -2.31 115.95 121.50 1rwt h TRP 71 Ca 0.23 -0.19 -0.09 0.00 2.06 0.00 0.00 58.89 60.90 1rwt h TRP 71 Cb 0.27 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.20 1rwt h TRP 71 CO 0.02 0.92 -0.42 0.00 -3.56 0.00 0.00 178.44 175.40 1rwt h ALA 72 N 1.09 1.07 0.06 1.49 0.00 -0.51 0.22 119.26 122.68 1rwt h ALA 72 Ca 0.11 -0.38 -0.26 0.00 0.00 0.00 0.00 54.91 54.37 1rwt h ALA 72 Cb 0.69 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.43 1rwt h ALA 72 CO 0.05 0.53 -1.06 0.52 0.00 0.00 0.00 179.25 179.29 1rwt h MET 73 N 0.00 0.61 -0.46 0.00 2.86 -1.07 -0.26 114.93 116.61 1rwt h MET 73 Ca -0.00 -0.74 -0.07 0.00 -2.06 0.00 0.00 59.70 56.82 1rwt h MET 73 Cb 0.87 0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 1rwt h MET 73 CO 0.05 1.32 -0.00 -0.07 1.06 0.00 0.00 176.91 179.27 1rwt h LEU 74 N 0.24 0.80 -1.02 1.22 3.38 -1.30 -2.69 115.31 115.94 1rwt h LEU 74 Ca -0.15 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 1rwt h LEU 74 Cb 1.74 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1rwt h LEU 74 CO 0.21 0.91 -0.26 1.23 0.09 0.00 0.00 178.44 180.62 1rwt h GLY 75 N 0.66 0.42 0.60 0.83 0.00 -0.96 0.81 103.07 105.43 1rwt h GLY 75 Ca 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1rwt h GLY 75 CO 0.02 0.31 -0.07 0.00 0.00 0.00 0.00 176.54 176.80 1rwt h ALA 76 N 1.39 -0.20 -0.75 3.60 0.00 -0.95 -0.65 119.26 121.70 1rwt h ALA 76 Ca 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1rwt h ALA 76 Cb 0.64 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1rwt h ALA 76 CO 0.05 -0.41 0.41 1.25 0.00 0.00 0.00 179.25 180.54 1rwt h LEU 77 N -0.61 0.95 -1.18 0.00 5.85 -1.45 -2.68 115.31 116.19 1rwt h LEU 77 Ca -0.02 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1rwt h LEU 77 Cb 0.46 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1rwt h LEU 77 CO 0.03 0.78 -0.16 1.23 -0.34 0.00 0.00 178.44 179.99 1rwt h GLY 78 N 1.05 0.40 1.74 3.75 0.00 -0.79 -0.42 103.07 108.81 1rwt h GLY 78 Ca 0.26 -0.28 -0.18 0.00 0.00 0.00 0.00 47.33 47.14 1rwt h GLY 78 CO -0.04 0.26 -0.77 0.00 0.00 0.00 0.00 176.54 175.99 1rwt h VAL 80 N 0.16 0.89 -0.41 0.00 2.07 -1.35 -3.37 116.25 114.24 1rwt h VAL 80 Ca -0.03 -2.44 0.08 0.00 0.82 0.00 0.00 66.70 65.13 1rwt h VAL 80 Cb 1.35 2.68 -0.09 0.00 -1.52 0.00 0.00 31.29 33.71 1rwt h VAL 80 CO 0.12 0.82 -0.38 0.15 0.02 0.00 0.00 177.57 178.30 1rwt h PHE 81 N -0.03 -1.10 -0.43 1.57 3.57 -1.21 -0.25 116.94 119.06 1rwt h PHE 81 Ca -0.35 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.24 1rwt h PHE 81 Cb 1.98 0.54 -0.03 0.00 2.79 0.00 0.00 35.95 41.23 1rwt h PHE 81 CO 0.10 -0.42 0.25 -1.35 -2.23 0.00 0.00 178.31 174.66 1rwt h PRO 82 N -0.29 0.48 -0.29 6.41 0.11 -1.80 -0.93 132.00 135.68 1rwt h PRO 82 Ca 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1rwt h PRO 82 Cb 0.57 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1rwt h PRO 82 CO -0.56 0.32 0.18 1.49 -0.21 0.00 0.00 178.00 179.22 1rwt h GLU 83 N 0.49 0.38 0.02 1.05 4.81 -1.50 0.22 114.58 120.06 1rwt h GLU 83 Ca 0.18 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1rwt h GLU 83 Cb 0.03 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1rwt h GLU 83 CO -0.09 0.26 -0.01 1.25 -0.73 0.00 0.00 179.01 179.69 1rwt h LEU 84 N 0.39 -0.02 -1.21 1.64 5.85 -0.13 -1.43 115.31 120.40 1rwt h LEU 84 Ca 0.11 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1rwt h LEU 84 Cb -0.03 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1rwt h LEU 84 CO -0.02 0.31 0.26 -0.07 -0.34 0.00 0.00 178.44 178.58 1rwt h LEU 85 N -0.35 0.73 -1.09 2.25 3.38 -0.58 -2.11 115.31 117.54 1rwt h LEU 85 Ca -0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1rwt h LEU 85 Cb 0.34 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1rwt h LEU 85 CO 0.00 0.64 0.21 0.00 0.09 0.00 0.00 178.44 179.38 1rwt h ALA 86 N 1.48 1.28 0.00 1.53 0.00 -0.38 -0.25 119.26 122.92 1rwt h ALA 86 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rwt h ALA 86 Cb 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1rwt h ALA 86 CO -0.02 0.53 0.00 0.54 0.00 0.00 0.00 179.25 180.29 1rwt n ARG 87 N -4.31 0.73 -0.08 0.00 1.74 -0.56 -2.69 116.66 111.49 1rwt n ARG 87 Ca 0.05 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.18 1rwt n ARG 87 Cb 0.18 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.20 1rwt n ARG 87 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1rwt n ASN 88 N -1.00 1.94 0.00 0.55 4.13 -0.17 -5.00 115.26 115.70 1rwt n ASN 88 Ca 0.17 -2.56 0.00 0.00 1.68 0.00 0.00 54.58 53.87 1rwt n ASN 88 Cb 0.08 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 1rwt n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rwt n GLY 89 N -0.96 2.17 3.70 7.41 0.00 -1.08 -5.05 105.19 111.37 1rwt n GLY 89 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1rwt n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rwt s VAL 90 N -2.32 4.38 -0.36 1.61 1.01 -0.79 -4.99 120.40 118.93 1rwt s VAL 90 Ca 0.00 1.70 -0.15 0.00 0.00 0.00 0.00 61.98 63.53 1rwt s VAL 90 Cb 0.00 -4.09 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 1rwt s VAL 90 CO 0.00 0.06 0.33 -0.54 0.00 0.00 0.00 175.10 174.95 1rwt s LYS 91 N 1.67 3.40 0.28 2.72 1.02 -1.26 -3.98 119.74 123.59 1rwt s LYS 91 Ca 0.55 -0.60 0.07 0.00 0.02 0.00 0.00 55.97 56.01 1rwt s LYS 91 Cb -0.24 -3.85 -0.03 0.00 -0.52 0.00 0.00 37.83 33.18 1rwt s LYS 91 CO 0.24 -0.58 0.24 -0.06 -0.92 0.00 0.00 175.35 174.27 1rwt s PHE 92 N 1.92 3.06 0.08 3.18 0.08 -1.26 -3.73 117.98 121.30 1rwt s PHE 92 Ca 0.09 -0.17 -0.19 0.00 0.12 0.00 0.00 56.93 56.78 1rwt s PHE 92 Cb -0.17 -1.55 -0.08 0.00 -0.57 0.00 0.00 43.02 40.64 1rwt s PHE 92 CO 0.11 0.39 1.54 0.78 -0.10 0.00 0.00 175.22 177.95 1rwt h GLY 93 N 1.38 0.43 -6.68 4.36 0.00 -1.95 -3.42 103.07 97.20 1rwt h GLY 93 Ca -0.47 -0.30 -0.27 0.00 0.00 0.00 0.00 47.33 46.29 1rwt h GLY 93 CO 0.60 0.28 -0.58 1.85 0.00 0.00 0.00 176.54 178.68 1rwt s GLU 94 N -5.10 0.21 -0.04 4.80 2.56 -1.26 -5.05 118.70 114.82 1rwt s GLU 94 Ca -0.14 0.37 0.04 0.00 0.00 0.00 0.00 54.97 55.24 1rwt s GLU 94 Cb 0.07 -0.84 -0.25 0.00 2.00 0.00 0.00 34.13 35.11 1rwt s GLU 94 CO 0.74 -0.58 0.69 0.00 -0.56 0.00 0.00 175.26 175.55 1rwt h ALA 95 N 8.29 0.54 -2.50 6.30 0.00 -1.92 -3.38 119.26 126.58 1rwt h ALA 95 Ca -0.17 -1.32 -0.53 0.00 0.00 0.00 0.00 54.91 52.90 1rwt h ALA 95 Cb 1.14 0.44 0.03 0.00 0.00 0.00 0.00 17.79 19.41 1rwt h ALA 95 CO 0.25 1.39 1.08 0.08 0.00 0.00 0.00 179.25 182.05 1rwt s VAL 96 N -2.60 2.66 0.26 0.00 1.01 -1.26 -3.68 120.40 116.78 1rwt s VAL 96 Ca -0.09 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 1rwt s VAL 96 Cb 0.08 -3.10 0.27 0.00 0.00 0.00 0.00 36.38 33.62 1rwt s VAL 96 CO 0.82 -0.00 1.67 4.11 0.00 0.00 0.00 175.10 181.70 1rwt h TRP 97 N 8.51 0.28 -0.01 5.22 5.08 -1.90 0.12 115.95 133.24 1rwt h TRP 97 Ca -0.45 0.05 0.00 0.00 1.08 0.00 0.00 58.89 59.57 1rwt h TRP 97 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 1rwt h TRP 97 CO 0.79 -0.14 0.00 1.97 -1.28 0.00 0.00 178.44 179.77 1rwt n PHE 98 N -5.20 0.02 0.00 0.12 1.16 -1.26 -2.94 117.46 109.37 1rwt n PHE 98 Ca 0.17 -0.01 0.00 0.00 -1.87 0.00 0.00 57.45 55.74 1rwt n PHE 98 Cb 0.54 -0.02 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 1rwt n PHE 98 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1rwt n LYS 99 N -0.37 2.77 -0.22 3.97 4.76 0.32 -4.81 118.16 124.56 1rwt n LYS 99 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 1rwt n LYS 99 Cb 0.06 -0.70 0.14 0.00 -1.84 0.00 0.00 35.03 32.68 1rwt n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rwt h ALA 100 N 0.00 0.76 -0.79 7.82 0.00 -1.14 -2.39 119.26 123.52 1rwt h ALA 100 Ca 0.00 0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.24 1rwt h ALA 100 Cb 0.00 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 1rwt h ALA 100 CO 0.00 -0.36 0.34 0.78 0.00 0.00 0.00 179.25 180.01 1rwt h GLY 101 N 0.19 1.25 1.91 0.00 0.00 -1.88 -1.91 103.07 102.64 1rwt h GLY 101 Ca 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1rwt h GLY 101 CO -0.51 -0.10 0.03 -1.14 0.00 0.00 0.00 176.54 174.82 1rwt n SER 102 N -4.97 0.56 -0.03 0.19 3.41 -0.90 -2.56 113.62 109.32 1rwt n SER 102 Ca 0.16 0.75 0.13 0.00 -0.26 0.00 0.00 58.87 59.65 1rwt n SER 102 Cb 0.45 -0.81 0.56 0.00 -0.26 0.00 0.00 64.21 64.14 1rwt n SER 102 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1rwt h GLN 103 N 0.00 0.27 -0.00 4.33 4.20 -1.48 0.28 115.11 122.71 1rwt h GLN 103 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1rwt h GLN 103 Cb 0.07 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1rwt h GLN 103 CO 0.00 0.18 0.06 0.97 -0.67 0.00 0.00 178.83 179.36 1rwt h ILE 104 N 0.27 0.01 -0.01 2.54 6.09 -1.73 -0.02 117.51 124.67 1rwt h ILE 104 Ca 0.24 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.73 1rwt h ILE 104 Cb 0.59 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.82 1rwt h ILE 104 CO -0.05 0.00 -0.37 0.49 -3.07 0.00 0.00 178.15 175.15 1rwt n PHE 105 N -3.07 0.00 -1.56 2.19 3.72 0.09 -4.73 117.46 114.10 1rwt n PHE 105 Ca -0.03 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.06 1rwt n PHE 105 Cb 0.12 -0.04 0.06 0.00 -0.94 0.00 0.00 39.48 38.69 1rwt n PHE 105 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1rwt s SER 106 N -2.44 5.19 0.22 4.37 1.04 -0.02 -4.95 113.70 117.10 1rwt s SER 106 Ca 0.21 1.56 -0.10 0.00 0.48 0.00 0.00 55.95 58.10 1rwt s SER 106 Cb 0.19 -2.41 0.31 0.00 0.10 0.00 0.00 66.02 64.21 1rwt s SER 106 CO 0.54 -1.56 1.67 -0.08 0.98 0.00 0.00 173.24 174.78 1rwt h GLU 107 N -0.80 0.13 -0.00 4.02 4.81 -1.93 -2.25 114.58 118.56 1rwt h GLU 107 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1rwt h GLU 107 Cb 1.22 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1rwt h GLU 107 CO 0.57 0.08 -0.28 0.41 -0.73 0.00 0.00 179.01 179.07 1rwt n GLY 108 N -1.36 -1.31 2.75 1.92 0.00 -1.26 -5.06 105.19 100.87 1rwt n GLY 108 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1rwt n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rwt n GLY 109 N 1.48 -1.79 3.35 -0.02 0.00 -0.85 -4.83 105.19 102.53 1rwt n GLY 109 Ca 0.07 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 1rwt n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rwt s LEU 110 N 0.00 4.64 -0.26 0.99 0.20 0.25 -4.66 118.68 119.84 1rwt s LEU 110 Ca 0.00 -1.05 -0.09 0.00 0.69 0.00 0.00 54.13 53.69 1rwt s LEU 110 Cb 0.00 -1.98 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 1rwt s LEU 110 CO 0.00 -0.38 0.11 -1.81 -0.29 0.00 0.00 176.35 173.98 1rwt s ASP 111 N 1.52 5.43 0.13 3.68 1.01 -1.26 -1.65 116.67 125.53 1rwt s ASP 111 Ca 0.01 -0.14 -0.32 0.00 0.71 0.00 0.00 52.55 52.81 1rwt s ASP 111 Cb -0.19 -1.99 -0.11 0.00 1.01 0.00 0.00 42.92 41.63 1rwt s ASP 111 CO 0.06 -0.04 1.79 0.00 0.21 0.00 0.00 175.17 177.19 1rwt n TYR 112 N 4.97 2.59 -2.08 4.23 9.36 -0.85 -0.69 117.16 134.69 1rwt n TYR 112 Ca -0.15 -0.05 -0.20 0.00 3.32 0.00 0.00 57.90 60.81 1rwt n TYR 112 Cb 0.52 -2.69 -0.04 0.00 -0.63 0.00 0.00 39.34 36.49 1rwt n TYR 112 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1rwt n LEU 113 N 5.10 -1.73 0.00 2.98 4.77 -1.26 -1.28 117.00 125.59 1rwt n LEU 113 Ca 0.18 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1rwt n LEU 113 Cb 0.35 -2.86 0.00 0.00 -2.33 0.00 0.00 43.42 38.59 1rwt n LEU 113 CO 0.66 -0.55 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1rwt n GLY 114 N -0.76 0.51 3.64 -0.72 0.00 0.13 -4.72 105.19 103.27 1rwt n GLY 114 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1rwt n GLY 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rwt s ASN 115 N -2.48 6.63 0.22 1.61 3.84 -0.40 -4.94 114.94 119.43 1rwt s ASN 115 Ca 0.00 0.78 0.18 0.00 0.21 0.00 0.00 52.86 54.03 1rwt s ASN 115 Cb 0.00 -2.35 0.87 0.00 -0.55 0.00 0.00 41.25 39.22 1rwt s ASN 115 CO 0.00 -0.36 1.55 -2.65 -2.79 0.00 0.00 177.10 172.85 1rwt n PRO 116 N 5.59 0.12 -0.03 0.43 -0.02 -1.26 -1.65 135.00 138.18 1rwt n PRO 116 Ca -0.00 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.12 1rwt n PRO 116 Cb 0.49 -1.81 0.45 0.00 -0.02 0.00 0.00 33.50 32.61 1rwt n PRO 116 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1rwt n SER 117 N -2.05 1.68 -4.17 2.55 7.64 -1.26 -4.54 113.62 113.46 1rwt n SER 117 Ca 0.00 -1.59 -0.34 0.00 1.01 0.00 0.00 58.87 57.95 1rwt n SER 117 Cb 0.11 -0.03 -0.15 0.00 -1.01 0.00 0.00 64.21 63.12 1rwt n SER 117 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rwt s LEU 118 N -1.88 2.81 0.00 -3.43 1.43 -0.66 -4.88 118.68 112.08 1rwt s LEU 118 Ca 0.36 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1rwt s LEU 118 Cb 0.20 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.82 1rwt s LEU 118 CO 0.31 -0.08 0.00 0.52 0.23 0.00 0.00 176.35 177.34 1rwt n VAL 119 N 4.64 0.00 -4.07 -1.59 0.31 -1.26 -2.01 118.33 114.36 1rwt n VAL 119 Ca -0.18 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.83 1rwt n VAL 119 Cb 0.48 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.41 1rwt n VAL 119 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1rwt n HIS 120 N 0.00 -1.94 -1.87 3.52 -0.00 -1.09 -4.87 115.22 108.97 1rwt n HIS 120 Ca 0.00 0.83 -0.41 0.00 0.46 0.00 0.00 57.72 58.60 1rwt n HIS 120 Cb 0.00 -3.46 -0.01 0.00 -0.12 0.00 0.00 29.99 26.40 1rwt n HIS 120 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1rwt s ALA 121 N -3.39 3.60 0.00 1.57 0.00 -0.66 -4.69 121.76 118.19 1rwt s ALA 121 Ca 0.60 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.06 1rwt s ALA 121 Cb -0.32 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1rwt s ALA 121 CO 0.89 -0.95 0.00 1.04 0.00 0.00 0.00 175.76 176.74 1rwt n GLN 122 N 0.99 2.46 -3.77 0.00 1.13 -1.26 -0.58 117.38 116.34 1rwt n GLN 122 Ca 0.03 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.71 1rwt n GLN 122 Cb 0.39 -0.88 -0.13 0.00 0.11 0.00 0.00 30.24 29.74 1rwt n GLN 122 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1rwt s SER 123 N -2.14 5.17 0.31 1.08 0.15 -1.26 -4.94 113.70 112.07 1rwt s SER 123 Ca 0.00 -0.96 0.05 0.00 0.70 0.00 0.00 55.95 55.74 1rwt s SER 123 Cb 0.00 -1.86 0.52 0.00 -1.71 0.00 0.00 66.02 62.97 1rwt s SER 123 CO 0.00 -0.26 1.77 -0.29 1.20 0.00 0.00 173.24 175.66 1rwt h ILE 124 N 6.06 1.26 -0.59 6.45 6.09 -1.96 -1.97 117.51 132.85 1rwt h ILE 124 Ca -0.27 -1.21 -0.01 0.00 -1.37 0.00 0.00 64.86 62.00 1rwt h ILE 124 Cb 1.10 1.40 -0.03 0.00 0.47 0.00 0.00 36.82 39.76 1rwt h ILE 124 CO 0.60 0.38 0.32 -0.07 -3.07 0.00 0.00 178.15 176.31 1rwt h LEU 125 N 0.32 0.74 -0.67 2.19 3.38 -1.98 0.16 115.31 119.44 1rwt h LEU 125 Ca 0.05 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1rwt h LEU 125 Cb 0.63 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1rwt h LEU 125 CO 0.05 0.62 -0.08 0.00 0.09 0.00 0.00 178.44 179.11 1rwt h ALA 126 N 1.15 0.87 -0.18 1.53 0.00 -1.90 0.99 119.26 121.72 1rwt h ALA 126 Ca 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1rwt h ALA 126 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1rwt h ALA 126 CO -0.03 0.65 0.09 0.82 0.00 0.00 0.00 179.25 180.78 1rwt h ILE 127 N 0.85 1.12 -0.27 0.00 2.04 -0.95 -1.72 117.51 118.58 1rwt h ILE 127 Ca 0.14 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1rwt h ILE 127 Cb 0.62 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1rwt h ILE 127 CO 0.04 0.11 0.14 -0.25 0.00 0.00 0.00 178.15 178.19 1rwt h TRP 128 N 0.18 0.26 -0.33 1.37 7.01 -0.42 -2.23 115.95 121.78 1rwt h TRP 128 Ca 0.06 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.09 1rwt h TRP 128 Cb 0.10 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 1rwt h TRP 128 CO -0.03 0.14 0.19 0.00 -2.79 0.00 0.00 178.44 175.95 1rwt h ALA 129 N 1.13 0.41 -0.90 2.65 0.00 -0.64 -1.96 119.26 119.96 1rwt h ALA 129 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1rwt h ALA 129 Cb 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1rwt h ALA 129 CO -0.07 -0.18 0.55 0.00 0.00 0.00 0.00 179.25 179.55 1rwt h GLN 131 N 1.23 0.44 -0.39 0.00 4.15 -0.99 0.29 115.11 119.85 1rwt h GLN 131 Ca 0.32 -0.15 -0.09 0.00 0.77 0.00 0.00 58.65 59.50 1rwt h GLN 131 Cb -0.07 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1rwt h GLN 131 CO -0.06 0.64 -0.11 0.28 -1.93 0.00 0.00 178.83 177.65 1rwt h VAL 132 N 0.39 1.28 0.36 2.39 2.07 -0.97 -0.67 116.25 121.10 1rwt h VAL 132 Ca 0.06 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 1rwt h VAL 132 Cb 0.62 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1rwt h VAL 132 CO 0.04 0.40 -0.17 0.40 0.02 0.00 0.00 177.57 178.27 1rwt h ILE 133 N 0.57 0.52 0.01 4.57 1.08 -1.29 -1.57 117.51 121.40 1rwt h ILE 133 Ca 0.10 -0.65 -0.00 0.00 -0.39 0.00 0.00 64.86 63.92 1rwt h ILE 133 Cb 0.64 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 1rwt h ILE 133 CO 0.04 0.10 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.53 1rwt h LEU 134 N -0.91 -0.01 -0.44 1.44 3.38 -1.00 -1.27 115.31 116.50 1rwt h LEU 134 Ca -0.05 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 1rwt h LEU 134 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1rwt h LEU 134 CO 0.08 0.09 -0.34 0.24 0.09 0.00 0.00 178.44 178.59 1rwt h MET 135 N -0.10 0.93 -0.75 1.13 2.86 -1.25 -2.11 114.93 115.64 1rwt h MET 135 Ca -0.00 -0.46 0.08 0.00 -2.06 0.00 0.00 59.70 57.25 1rwt h MET 135 Cb 0.10 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 1rwt h MET 135 CO 0.00 1.12 0.41 0.78 1.06 0.00 0.00 176.91 180.29 1rwt h GLY 136 N 0.82 1.12 0.73 8.32 0.00 -1.20 0.07 103.07 112.94 1rwt h GLY 136 Ca 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1rwt h GLY 136 CO 0.09 0.14 -0.15 0.00 0.00 0.00 0.00 176.54 176.62 1rwt h ALA 137 N 1.41 -0.41 0.00 3.60 0.00 -1.04 -2.16 119.26 120.66 1rwt h ALA 137 Ca 0.35 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1rwt h ALA 137 Cb 0.28 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1rwt h ALA 137 CO -0.22 -0.59 -0.17 -0.39 0.00 0.00 0.00 179.25 177.88 1rwt h VAL 138 N -0.68 0.58 -0.02 0.00 -1.51 -1.18 0.31 116.25 113.75 1rwt h VAL 138 Ca -0.04 -0.78 -0.22 0.00 -1.23 0.00 0.00 66.70 64.43 1rwt h VAL 138 Cb 0.47 1.51 -0.00 0.00 -2.13 0.00 0.00 31.29 31.14 1rwt h VAL 138 CO 0.07 0.16 -0.89 -0.33 -1.23 0.00 0.00 177.57 175.35 1rwt h GLU 139 N 0.00 0.39 -0.23 5.19 4.39 -0.99 -1.97 114.58 121.37 1rwt h GLU 139 Ca -0.00 -0.40 -0.13 0.00 0.34 0.00 0.00 59.36 59.17 1rwt h GLU 139 Cb 0.50 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1rwt h GLU 139 CO 0.02 1.07 -0.40 0.78 -1.16 0.00 0.00 179.01 179.32 1rwt h GLY 140 N 1.30 0.57 1.48 -3.84 0.00 -0.65 -2.66 103.07 99.27 1rwt h GLY 140 Ca -0.07 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.60 1rwt h GLY 140 CO 0.15 0.51 -0.24 -0.97 0.00 0.00 0.00 176.54 175.99 1rwt h TYR 141 N 0.43 0.68 -0.12 5.60 0.99 -0.88 -0.81 116.97 122.87 1rwt h TYR 141 Ca 0.04 -0.15 -0.04 0.00 2.00 0.00 0.00 58.73 60.58 1rwt h TYR 141 Cb 0.89 -0.17 -0.01 0.00 1.00 0.00 0.00 36.73 38.44 1rwt h TYR 141 CO 0.03 0.79 -0.10 -0.09 -0.00 0.00 0.00 178.16 178.79 1rwt h ARG 142 N 0.53 0.18 0.03 4.88 2.43 -1.03 0.94 114.38 122.35 1rwt h ARG 142 Ca 0.08 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.02 1rwt h ARG 142 Cb 0.70 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1rwt h ARG 142 CO 0.05 0.30 -1.02 0.82 -1.51 0.00 0.00 179.97 178.60 1rwt h ILE 143 N 0.18 1.14 0.00 1.20 1.08 -1.15 -3.41 117.51 116.56 1rwt h ILE 143 Ca 0.04 -2.28 0.00 0.00 -0.39 0.00 0.00 64.86 62.23 1rwt h ILE 143 Cb 0.30 2.63 0.00 0.00 -3.07 0.00 0.00 36.82 36.68 1rwt h ILE 143 CO 0.02 0.50 -1.59 0.00 -0.69 0.00 0.00 178.15 176.39 1rwt n ALA 144 N -3.10 3.15 0.00 1.87 0.00 -0.34 -4.91 120.51 117.19 1rwt n ALA 144 Ca -0.25 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1rwt n ALA 144 Cb 0.70 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1rwt n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rwt n GLY 145 N 1.30 1.74 0.00 0.00 0.00 0.33 -4.47 105.19 104.08 1rwt n GLY 145 Ca -0.01 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1rwt n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rwt n GLY 146 N 1.83 1.30 0.52 -0.02 0.00 0.92 -4.52 105.19 105.22 1rwt n GLY 146 Ca 0.00 -0.40 0.39 0.00 0.00 0.00 0.00 46.02 46.02 1rwt n GLY 146 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rwt h PRO 147 N 0.00 0.07 -0.66 1.61 0.11 -2.01 0.94 132.00 132.06 1rwt h PRO 147 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1rwt h PRO 147 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1rwt h PRO 147 CO 0.00 0.05 0.00 1.28 -0.21 0.00 0.00 178.00 179.12 1rwt n LEU 148 N -4.49 4.81 0.00 2.35 4.77 -1.26 -5.04 117.00 118.14 1rwt n LEU 148 Ca 0.37 -2.44 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 1rwt n LEU 148 Cb 1.51 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1rwt n LEU 148 CO 0.28 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 1rwt n GLY 149 N 1.18 2.62 3.83 -0.72 0.00 0.32 -4.43 105.19 108.00 1rwt n GLY 149 Ca 0.26 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 1rwt n GLY 149 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rwt s GLU 150 N -1.79 3.11 -0.38 1.61 2.56 -1.26 -0.05 118.70 122.49 1rwt s GLU 150 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 54.97 54.08 1rwt s GLU 150 Cb 0.00 -2.84 0.01 0.00 2.00 0.00 0.00 34.13 33.29 1rwt s GLU 150 CO 0.00 0.58 1.34 0.08 -0.56 0.00 0.00 175.26 176.69 1rwt s VAL 151 N -1.47 4.03 0.00 3.70 1.01 -1.26 -4.83 120.40 121.58 1rwt s VAL 151 Ca 0.32 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1rwt s VAL 151 Cb -0.12 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1rwt s VAL 151 CO 0.24 -0.67 0.00 1.33 0.00 0.00 0.00 175.10 176.00 1rwt n VAL 152 N 6.71 0.00 -3.53 2.92 0.24 -1.26 -4.93 118.33 118.47 1rwt n VAL 152 Ca 0.15 0.02 -0.42 0.00 -2.04 0.00 0.00 64.34 62.06 1rwt n VAL 152 Cb 0.48 -0.81 -0.11 0.00 -1.47 0.00 0.00 33.84 31.93 1rwt n VAL 152 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rwt s ASP 153 N -0.44 5.92 0.36 -1.34 -1.08 -1.26 -4.98 116.67 113.86 1rwt s ASP 153 Ca 0.00 -0.93 0.21 0.00 -0.52 0.00 0.00 52.55 51.31 1rwt s ASP 153 Cb 0.00 -2.09 1.31 0.00 -1.46 0.00 0.00 42.92 40.68 1rwt s ASP 153 CO 0.00 -0.41 1.53 -2.65 0.52 0.00 0.00 175.17 174.16 1rwt n PRO 154 N 5.08 -0.06 -0.06 4.34 -0.02 -1.26 -1.87 135.00 141.15 1rwt n PRO 154 Ca -0.11 1.33 -0.00 0.00 -2.02 0.00 0.00 63.50 62.69 1rwt n PRO 154 Cb 0.47 -2.40 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 1rwt n PRO 154 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1rwt n LEU 155 N -5.17 0.00 -3.23 2.45 4.77 -1.26 -4.72 117.00 109.83 1rwt n LEU 155 Ca 0.37 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 56.08 1rwt n LEU 155 Cb 1.26 0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 42.55 1rwt n LEU 155 CO 0.02 0.27 0.07 -1.22 -1.33 0.00 0.00 177.39 175.19 1rwt n TYR 156 N -2.51 3.43 -0.13 -1.77 4.01 -0.78 -4.95 117.16 114.44 1rwt n TYR 156 Ca -0.19 -4.06 -0.05 0.00 -0.16 0.00 0.00 57.90 53.44 1rwt n TYR 156 Cb 0.88 -0.52 0.01 0.00 -0.31 0.00 0.00 39.34 39.40 1rwt n TYR 156 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1rwt h PRO 157 N 3.71 -0.14 0.00 -0.72 0.11 -1.83 -3.41 132.00 129.72 1rwt h PRO 157 Ca 0.16 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1rwt h PRO 157 Cb 0.63 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1rwt h PRO 157 CO 0.80 -0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.90 1rwt n GLY 158 N -1.40 -0.14 7.00 -0.55 0.00 -1.26 -4.84 105.19 104.00 1rwt n GLY 158 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1rwt n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rwt n GLY 159 N 0.00 3.26 0.31 -0.02 0.00 -1.26 -0.18 105.19 107.29 1rwt n GLY 159 Ca 0.00 0.26 0.18 0.00 0.00 0.00 0.00 46.02 46.47 1rwt n GLY 159 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rwt h SER 160 N 0.00 0.00 -0.57 1.61 0.02 -1.91 -1.85 113.55 110.86 1rwt h SER 160 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rwt h SER 160 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1rwt h SER 160 CO 0.00 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.18 1rwt n PHE 161 N -3.54 1.02 -2.85 3.45 3.01 0.74 -4.21 117.46 115.09 1rwt n PHE 161 Ca -0.03 -0.45 -0.12 0.00 1.01 0.00 0.00 57.45 57.87 1rwt n PHE 161 Cb 0.08 -0.11 0.03 0.00 -0.01 0.00 0.00 39.48 39.47 1rwt n PHE 161 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1rwt n ASP 162 N 1.06 0.26 -0.18 4.37 2.03 -0.70 -4.66 116.55 118.73 1rwt n ASP 162 Ca 0.21 -2.89 -0.06 0.00 0.52 0.00 0.00 54.79 52.56 1rwt n ASP 162 Cb 0.63 -0.01 -0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1rwt n ASP 162 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1rwt h PRO 163 N 2.85 -0.19 0.00 -0.67 0.11 -1.73 0.23 132.00 132.60 1rwt h PRO 163 Ca -0.06 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1rwt h PRO 163 Cb 1.12 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1rwt h PRO 163 CO 0.37 -0.12 0.00 1.28 -0.21 0.00 0.00 178.00 179.31 1rwt n LEU 164 N -5.43 0.00 -3.53 2.35 4.77 -1.26 -4.86 117.00 109.04 1rwt n LEU 164 Ca 0.03 0.02 -0.26 0.00 -0.03 0.00 0.00 56.01 55.77 1rwt n LEU 164 Cb 0.35 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1rwt n LEU 164 CO 0.02 -0.01 0.05 0.61 -1.33 0.00 0.00 177.39 176.73 1rwt n GLY 165 N 0.01 -0.50 0.21 -0.72 0.00 0.80 -4.85 105.19 100.13 1rwt n GLY 165 Ca 0.12 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.44 1rwt n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rwt h LEU 166 N -1.62 0.00 -3.31 0.99 3.38 -1.89 -2.91 115.31 109.95 1rwt h LEU 166 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1rwt h LEU 166 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1rwt h LEU 166 CO 0.60 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.13 1rwt n ALA 167 N -1.92 3.15 0.01 1.53 0.00 -1.26 -4.62 120.51 117.40 1rwt n ALA 167 Ca 0.00 -2.22 -0.05 0.00 0.00 0.00 0.00 53.44 51.18 1rwt n ALA 167 Cb 0.19 -0.79 0.17 0.00 0.00 0.00 0.00 19.45 19.03 1rwt n ALA 167 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rwt h ASP 168 N 2.23 0.50 -3.45 0.00 3.32 -1.91 -3.41 116.42 113.70 1rwt h ASP 168 Ca 0.00 -0.19 -0.59 0.00 0.02 0.00 0.00 57.03 56.27 1rwt h ASP 168 Cb 1.53 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 40.86 1rwt h ASP 168 CO 0.27 0.79 0.61 -0.62 -1.72 0.00 0.00 179.24 178.57 1rwt s ASP 169 N -6.83 6.72 0.26 6.45 2.15 -1.26 -4.94 116.67 119.23 1rwt s ASP 169 Ca -0.07 0.67 -0.05 0.00 0.43 0.00 0.00 52.55 53.54 1rwt s ASP 169 Cb 0.13 -2.47 0.52 0.00 -0.30 0.00 0.00 42.92 40.80 1rwt s ASP 169 CO 0.80 -0.82 1.61 -0.65 -0.17 0.00 0.00 175.17 175.94 1rwt h PRO 170 N 8.36 0.07 -0.26 4.34 0.11 -1.98 0.35 132.00 142.98 1rwt h PRO 170 Ca -0.23 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 1rwt h PRO 170 Cb 1.08 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1rwt h PRO 170 CO 0.98 0.05 0.08 1.49 -0.21 0.00 0.00 178.00 180.38 1rwt h GLU 171 N 0.08 0.42 -0.50 1.05 4.81 -1.95 -1.18 114.58 117.29 1rwt h GLU 171 Ca 0.47 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.54 1rwt h GLU 171 Cb 0.85 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1rwt h GLU 171 CO -0.75 0.49 0.06 0.00 -0.73 0.00 0.00 179.01 178.08 1rwt h ALA 172 N 0.90 1.17 -0.22 2.92 0.00 -1.48 -2.60 119.26 119.95 1rwt h ALA 172 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rwt h ALA 172 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1rwt h ALA 172 CO -0.00 0.55 0.14 0.35 0.00 0.00 0.00 179.25 180.29 1rwt h PHE 173 N 0.76 0.28 -0.77 0.00 3.57 -0.06 0.03 116.94 120.74 1rwt h PHE 173 Ca 0.16 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1rwt h PHE 173 Cb 0.37 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1rwt h PHE 173 CO 0.02 0.18 0.51 0.00 -2.23 0.00 0.00 178.31 176.79 1rwt h ALA 174 N 1.07 1.65 0.00 2.41 0.00 -0.93 -1.66 119.26 121.81 1rwt h ALA 174 Ca 0.08 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1rwt h ALA 174 Cb -0.02 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.56 1rwt h ALA 174 CO -0.02 0.23 -0.34 1.49 0.00 0.00 0.00 179.25 180.61 1rwt h GLU 175 N 0.82 0.23 -0.68 0.00 4.81 -1.09 -3.24 114.58 115.44 1rwt h GLU 175 Ca 0.33 -0.25 0.09 0.00 -0.13 0.00 0.00 59.36 59.40 1rwt h GLU 175 Cb 0.24 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1rwt h GLU 175 CO -0.11 0.97 0.45 -0.07 -0.73 0.00 0.00 179.01 179.51 1rwt h LEU 176 N -0.41 0.52 -0.67 1.64 3.38 -0.74 -0.83 115.31 118.19 1rwt h LEU 176 Ca -0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1rwt h LEU 176 Cb 1.09 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1rwt h LEU 176 CO 0.07 0.32 0.37 0.11 0.09 0.00 0.00 178.44 179.40 1rwt h LYS 177 N 0.58 0.93 -0.35 1.13 1.57 -1.36 0.03 116.57 119.10 1rwt h LYS 177 Ca 0.31 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1rwt h LYS 177 Cb 0.44 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1rwt h LYS 177 CO -0.10 0.69 0.19 0.28 -0.57 0.00 0.00 179.45 179.94 1rwt h VAL 178 N 0.92 1.14 -0.91 0.50 2.07 -1.21 -1.53 116.25 117.24 1rwt h VAL 178 Ca 0.24 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1rwt h VAL 178 Cb 0.03 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1rwt h VAL 178 CO -0.04 0.15 0.60 0.11 0.02 0.00 0.00 177.57 178.40 1rwt h LYS 179 N 0.44 1.11 -0.01 1.57 1.57 -0.88 0.43 116.57 120.79 1rwt h LYS 179 Ca 0.12 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1rwt h LYS 179 Cb 0.06 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 1rwt h LYS 179 CO -0.02 0.73 0.00 1.49 -0.57 0.00 0.00 179.45 181.08 1rwt h GLU 180 N 1.14 0.02 -0.80 3.15 4.81 -0.56 -0.11 114.58 122.23 1rwt h GLU 180 Ca 0.36 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.55 1rwt h GLU 180 Cb 0.01 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1rwt h GLU 180 CO -0.11 0.30 0.38 0.82 -0.73 0.00 0.00 179.01 179.68 1rwt h ILE 181 N -0.26 1.25 -0.09 2.32 1.08 -1.00 0.20 117.51 121.01 1rwt h ILE 181 Ca 0.00 -0.69 -0.03 0.00 -0.39 0.00 0.00 64.86 63.75 1rwt h ILE 181 Cb 0.29 0.22 -0.00 0.00 -3.07 0.00 0.00 36.82 34.26 1rwt h ILE 181 CO 0.00 0.29 -0.07 0.11 -0.69 0.00 0.00 178.15 177.79 1rwt h LYS 182 N 1.13 0.21 -0.75 2.37 1.57 -0.82 0.13 116.57 120.41 1rwt h LYS 182 Ca 0.27 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1rwt h LYS 182 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1rwt h LYS 182 CO -0.04 0.61 0.35 -0.91 -0.57 0.00 0.00 179.45 178.90 1rwt h ASN 183 N -0.20 0.98 -0.28 0.86 2.35 -0.93 -1.96 115.58 116.39 1rwt h ASN 183 Ca 0.02 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1rwt h ASN 183 Cb 0.57 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1rwt h ASN 183 CO 0.02 0.83 0.08 1.23 -1.65 0.00 0.00 177.43 177.94 1rwt h GLY 184 N 1.11 0.47 1.19 2.83 0.00 -0.47 -1.69 103.07 106.52 1rwt h GLY 184 Ca 0.26 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1rwt h GLY 184 CO -0.03 0.27 0.26 3.21 0.00 0.00 0.00 176.54 180.25 1rwt h ARG 185 N 0.29 1.03 -0.67 4.80 3.08 -0.57 -1.03 114.38 121.31 1rwt h ARG 185 Ca 0.09 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1rwt h ARG 185 Cb 0.26 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1rwt h ARG 185 CO -0.00 0.85 0.28 1.25 -1.07 0.00 0.00 179.97 181.28 1rwt h LEU 186 N 1.00 0.91 -0.54 3.04 5.85 -1.20 -1.32 115.31 123.06 1rwt h LEU 186 Ca 0.23 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1rwt h LEU 186 Cb 0.22 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1rwt h LEU 186 CO -0.02 0.82 0.24 0.00 -0.34 0.00 0.00 178.44 179.15 1rwt h ALA 187 N 1.12 0.70 -0.07 1.25 0.00 -0.74 0.15 119.26 121.68 1rwt h ALA 187 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rwt h ALA 187 Cb 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1rwt h ALA 187 CO -0.02 0.29 0.03 0.52 0.00 0.00 0.00 179.25 180.07 1rwt h MET 188 N 0.74 0.11 -0.45 0.00 2.86 -0.98 0.35 114.93 117.55 1rwt h MET 188 Ca 0.18 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.88 1rwt h MET 188 Cb 0.15 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.73 1rwt h MET 188 CO -0.02 0.23 0.06 0.35 1.06 0.00 0.00 176.91 178.59 1rwt h PHE 189 N -0.03 0.09 -0.08 -0.22 3.57 -1.11 0.13 116.94 119.29 1rwt h PHE 189 Ca 0.02 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 1rwt h PHE 189 Cb 0.16 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1rwt h PHE 189 CO -0.02 -0.03 -0.44 0.77 -2.23 0.00 0.00 178.31 176.36 1rwt h SER 190 N 0.18 0.19 -0.03 0.41 0.02 -0.70 -2.23 113.55 111.38 1rwt h SER 190 Ca 0.22 -0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 1rwt h SER 190 Cb 0.30 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1rwt h SER 190 CO -0.32 0.60 -0.40 0.24 -1.14 0.00 0.00 176.83 175.82 1rwt h MET 191 N 0.15 0.55 -0.76 3.45 2.86 0.83 0.10 114.93 122.10 1rwt h MET 191 Ca 0.01 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 1rwt h MET 191 Cb 0.84 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 1rwt h MET 191 CO 0.06 0.85 0.38 0.35 1.06 0.00 0.00 176.91 179.62 1rwt h PHE 192 N 0.45 1.07 -0.40 -0.22 3.57 -0.75 0.07 116.94 120.72 1rwt h PHE 192 Ca 0.04 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1rwt h PHE 192 Cb 0.89 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1rwt h PHE 192 CO 0.03 0.76 0.14 0.78 -2.23 0.00 0.00 178.31 177.80 1rwt h GLY 193 N 1.11 0.65 0.77 2.40 0.00 -0.72 -1.19 103.07 106.10 1rwt h GLY 193 Ca 0.26 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.26 1rwt h GLY 193 CO -0.04 0.35 0.25 0.74 0.00 0.00 0.00 176.54 177.84 1rwt h PHE 194 N 0.50 0.46 -0.12 5.60 0.05 0.04 0.14 116.94 123.61 1rwt h PHE 194 Ca 0.13 0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.95 1rwt h PHE 194 Cb 0.22 -0.14 -0.01 0.00 2.00 0.00 0.00 35.95 38.03 1rwt h PHE 194 CO 0.00 0.23 0.06 0.74 -0.18 0.00 0.00 178.31 179.17 1rwt h PHE 195 N 0.49 0.12 -0.31 -0.55 0.04 -0.69 -1.30 116.94 114.74 1rwt h PHE 195 Ca 0.20 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.81 1rwt h PHE 195 Cb 0.10 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 1rwt h PHE 195 CO -0.10 0.07 -0.47 0.28 -0.60 0.00 0.00 178.31 177.50 1rwt h VAL 196 N 0.13 1.28 -0.51 -0.55 2.07 -1.07 -2.90 116.25 114.71 1rwt h VAL 196 Ca 0.05 -1.65 -0.06 0.00 0.82 0.00 0.00 66.70 65.85 1rwt h VAL 196 Cb 0.00 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1rwt h VAL 196 CO -0.03 0.54 0.05 1.56 0.02 0.00 0.00 177.57 179.71 1rwt h GLN 197 N 0.65 0.82 0.48 1.57 4.20 -0.94 -0.06 115.11 121.82 1rwt h GLN 197 Ca 0.03 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 1rwt h GLN 197 Cb 1.07 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1rwt h GLN 197 CO 0.11 0.79 -0.25 0.00 -0.67 0.00 0.00 178.83 178.81 1rwt h ALA 198 N 1.28 -0.67 -0.97 3.87 0.00 -1.22 0.15 119.26 121.70 1rwt h ALA 198 Ca 0.16 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1rwt h ALA 198 Cb 0.39 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1rwt h ALA 198 CO 0.01 -0.88 0.64 0.82 0.00 0.00 0.00 179.25 179.84 1rwt h ILE 199 N -0.67 1.19 0.21 0.00 2.04 -1.29 -0.79 117.51 118.19 1rwt h ILE 199 Ca -0.06 -0.43 -0.34 0.00 1.00 0.00 0.00 64.86 65.03 1rwt h ILE 199 Cb 0.52 -0.17 0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1rwt h ILE 199 CO 0.09 0.23 -1.57 0.58 0.00 0.00 0.00 178.15 177.48 1rwt h VAL 200 N 1.25 1.15 0.00 1.67 2.07 -0.81 -3.39 116.25 118.19 1rwt h VAL 200 Ca 0.38 -2.67 -0.27 0.00 0.82 0.00 0.00 66.70 64.95 1rwt h VAL 200 Cb -0.04 2.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.58 1rwt h VAL 200 CO -0.11 0.84 -2.00 0.35 0.02 0.00 0.00 177.57 176.67 1rwt n THR 201 N -3.62 1.24 -0.97 2.57 -2.24 0.50 -4.98 114.28 106.77 1rwt n THR 201 Ca -0.19 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 1rwt n THR 201 Cb 1.08 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1rwt n THR 201 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rwt n GLY 202 N 1.58 0.76 3.78 3.38 0.00 -0.31 -5.00 105.19 109.38 1rwt n GLY 202 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1rwt n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rwt s LYS 203 N -0.11 2.20 0.52 1.61 1.02 -1.26 -5.07 119.74 118.65 1rwt s LYS 203 Ca 0.00 -2.30 -0.17 0.00 0.02 0.00 0.00 55.97 53.52 1rwt s LYS 203 Cb 0.00 -1.65 -0.07 0.00 -0.52 0.00 0.00 37.83 35.59 1rwt s LYS 203 CO 0.00 -0.38 1.00 0.20 -0.92 0.00 0.00 175.35 175.24 1rwt s GLY 204 N -3.94 2.12 0.22 -3.33 0.00 -1.26 -4.57 107.32 96.55 1rwt s GLY 204 Ca 0.13 0.25 -0.09 0.00 0.00 0.00 0.00 44.72 45.02 1rwt s GLY 204 CO 0.07 0.54 1.69 -2.55 0.00 0.00 0.00 173.10 172.85 1rwt h PRO 205 N 0.94 0.22 -0.17 2.90 0.11 -1.95 -0.01 132.00 134.04 1rwt h PRO 205 Ca -0.47 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1rwt h PRO 205 Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1rwt h PRO 205 CO 0.61 0.15 -0.43 -0.07 -0.21 0.00 0.00 178.00 178.05 1rwt h LEU 206 N 0.23 0.44 -0.94 2.35 3.38 -1.96 -1.85 115.31 116.96 1rwt h LEU 206 Ca 0.34 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1rwt h LEU 206 Cb 0.55 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1rwt h LEU 206 CO -0.46 0.82 -0.37 -0.08 0.09 0.00 0.00 178.44 178.43 1rwt h GLU 207 N 0.34 0.30 -0.63 1.13 4.81 -1.71 -0.49 114.58 118.33 1rwt h GLU 207 Ca 0.03 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1rwt h GLU 207 Cb 0.90 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 1rwt h GLU 207 CO 0.08 0.64 0.38 -0.91 -0.73 0.00 0.00 179.01 178.47 1rwt h ASN 208 N 0.26 0.62 -0.44 1.04 -0.26 -0.55 0.14 115.58 116.39 1rwt h ASN 208 Ca 0.03 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.67 1rwt h ASN 208 Cb 0.78 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.90 1rwt h ASN 208 CO 0.06 0.43 -0.11 0.25 -1.06 0.00 0.00 177.43 177.00 1rwt h LEU 209 N 0.75 0.85 -0.54 1.61 5.85 -0.68 -1.46 115.31 121.70 1rwt h LEU 209 Ca 0.26 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1rwt h LEU 209 Cb 0.03 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1rwt h LEU 209 CO -0.11 1.02 0.32 0.00 -0.34 0.00 0.00 178.44 179.34 1rwt h ALA 210 N 0.86 0.69 -0.47 1.25 0.00 -0.61 -0.69 119.26 120.29 1rwt h ALA 210 Ca 0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1rwt h ALA 210 Cb 0.65 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1rwt h ALA 210 CO 0.04 0.17 0.10 -0.44 0.00 0.00 0.00 179.25 179.13 1rwt h ASP 211 N 0.72 0.72 -0.05 0.00 3.32 -0.60 -1.49 116.42 119.05 1rwt h ASP 211 Ca 0.19 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1rwt h ASP 211 Cb -0.01 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1rwt h ASP 211 CO -0.04 0.78 -0.03 -0.74 -1.72 0.00 0.00 179.24 177.49 1rwt h HIS 212 N 0.63 -0.08 0.00 4.55 2.76 -0.95 -1.67 115.15 120.40 1rwt h HIS 212 Ca 0.15 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 1rwt h HIS 212 Cb 0.35 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.35 1rwt h HIS 212 CO 0.02 -0.05 -0.06 -0.07 -1.30 0.00 0.00 177.93 176.47 1rwt h LEU 213 N -0.04 0.00 -1.67 0.26 3.38 -1.00 0.28 115.31 116.52 1rwt h LEU 213 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1rwt h LEU 213 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1rwt h LEU 213 CO -0.07 0.06 -0.18 0.00 0.09 0.00 0.00 178.44 178.34 1rwt h ALA 214 N 1.94 1.26 -0.31 1.53 0.00 -0.29 -3.39 119.26 120.01 1rwt h ALA 214 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1rwt h ALA 214 Cb 0.12 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.73 1rwt h ALA 214 CO 0.01 0.22 -0.18 0.34 0.00 0.00 0.00 179.25 179.64 1rwt s ASP 215 N -6.30 -0.45 0.30 0.00 -1.08 -0.57 -5.06 116.67 103.52 1rwt s ASP 215 Ca -0.02 -0.52 0.06 0.00 -0.52 0.00 0.00 52.55 51.55 1rwt s ASP 215 Cb 0.13 0.59 0.76 0.00 -1.46 0.00 0.00 42.92 42.94 1rwt s ASP 215 CO 0.62 -0.02 1.77 1.55 0.52 0.00 0.00 175.17 179.60 1rwt h PRO 216 N 4.40 0.70 -0.03 4.34 0.13 -0.71 0.51 132.00 141.34 1rwt h PRO 216 Ca 0.00 -0.04 -0.16 0.00 -0.87 0.00 0.00 66.00 64.93 1rwt h PRO 216 Cb 1.16 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1rwt h PRO 216 CO -0.09 0.46 -0.69 0.28 -0.23 0.00 0.00 178.00 177.73 1rwt h VAL 217 N 0.72 1.44 0.03 1.56 2.07 -1.98 -3.33 116.25 116.76 1rwt h VAL 217 Ca 0.59 -2.23 -0.34 0.00 0.82 0.00 0.00 66.70 65.54 1rwt h VAL 217 Cb 0.96 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.86 1rwt h VAL 217 CO -0.40 0.65 -2.04 0.59 0.02 0.00 0.00 177.57 176.39 1rwt n ASN 218 N -3.78 1.11 -4.32 0.57 3.02 -0.88 -4.68 115.26 106.30 1rwt n ASN 218 Ca -0.02 0.20 -0.46 0.00 -0.03 0.00 0.00 54.58 54.27 1rwt n ASN 218 Cb 0.68 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.78 1rwt n ASN 218 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1rwt s ASN 219 N -6.23 6.92 0.36 6.41 0.01 0.17 -4.68 114.94 117.89 1rwt s ASN 219 Ca -0.14 -3.09 -0.08 0.00 -0.71 0.00 0.00 52.86 48.84 1rwt s ASN 219 Cb 0.07 -2.19 0.02 0.00 0.41 0.00 0.00 41.25 39.57 1rwt s ASN 219 CO 0.78 -0.44 0.59 0.54 -1.51 0.00 0.00 177.10 177.07 1rwt s ASN 220 N 1.70 0.56 0.38 -1.22 2.20 -1.26 -4.22 114.94 113.07 1rwt s ASN 220 Ca 0.23 -1.34 0.16 0.00 -0.94 0.00 0.00 52.86 50.97 1rwt s ASN 220 Cb -0.10 0.73 1.03 0.00 -2.00 0.00 0.00 41.25 40.91 1rwt s ASN 220 CO -0.09 -1.44 1.77 0.00 -2.94 0.00 0.00 177.10 174.41 1rwt h ALA 221 N 2.07 2.10 0.00 3.54 0.00 -1.95 -0.36 119.26 124.66 1rwt h ALA 221 Ca -0.29 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rwt h ALA 221 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1rwt h ALA 221 CO 0.39 -0.50 0.19 -1.49 0.00 0.00 0.00 179.25 177.84 1rwt h TRP 222 N 0.47 0.00 0.00 0.00 4.06 -1.96 -0.16 115.95 118.35 1rwt h TRP 222 Ca 0.59 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.54 1rwt h TRP 222 Cb 1.37 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.53 1rwt h TRP 222 CO -0.00 0.00 0.00 -1.71 -3.56 0.00 0.00 178.44 173.17 1rwt n ASN 223 N -2.65 0.59 -0.19 -3.49 2.85 -0.14 -2.92 115.26 109.30 1rwt n ASN 223 Ca -0.02 0.62 0.02 0.00 -0.11 0.00 0.00 54.58 55.09 1rwt n ASN 223 Cb 0.24 -0.76 0.05 0.00 1.24 0.00 0.00 39.78 40.55 1rwt n ASN 223 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1rwt n PHE 224 N -2.13 0.14 0.34 1.20 3.01 -0.07 -4.76 117.46 115.20 1rwt n PHE 224 Ca 0.03 -0.51 0.21 0.00 1.01 0.00 0.00 57.45 58.19 1rwt n PHE 224 Cb 0.26 -0.05 1.13 0.00 -0.01 0.00 0.00 39.48 40.81 1rwt n PHE 224 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1rwt h ALA 225 N 0.60 1.08 -0.14 4.37 0.00 -1.57 -2.11 119.26 121.49 1rwt h ALA 225 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rwt h ALA 225 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1rwt h ALA 225 CO 0.00 -0.08 -0.00 0.25 0.00 0.00 0.00 179.25 179.41 1rwt n THR 226 N -3.03 2.12 1.31 0.00 -2.24 -1.26 -4.65 114.28 106.53 1rwt n THR 226 Ca -0.03 -2.08 0.13 0.00 -2.27 0.00 0.00 64.05 59.81 1rwt n THR 226 Cb 0.15 -0.25 0.44 0.00 -2.10 0.00 0.00 70.33 68.57 1rwt n THR 226 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1rwt n ASN 227 N -0.94 0.98 -1.91 3.42 3.02 -0.79 -4.15 115.26 114.89 1rwt n ASN 227 Ca 0.19 -0.92 -0.03 0.00 -0.03 0.00 0.00 54.58 53.79 1rwt n ASN 227 Cb 0.78 0.08 0.06 0.00 -0.61 0.00 0.00 39.78 40.10 1rwt n ASN 227 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1rwt n PHE 228 N -0.60 1.04 -3.30 3.10 3.01 -1.26 -5.07 117.46 114.38 1rwt n PHE 228 Ca 0.14 -1.61 -0.38 0.00 1.01 0.00 0.00 57.45 56.60 1rwt n PHE 228 Cb 0.33 -0.24 -0.06 0.00 -0.01 0.00 0.00 39.48 39.51 1rwt n PHE 228 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1rwt s VAL 229 N -2.88 5.12 0.55 -4.37 0.11 -1.26 -5.05 120.40 112.62 1rwt s VAL 229 Ca 0.36 1.02 -0.20 0.00 -2.93 0.00 0.00 61.98 60.22 1rwt s VAL 229 Cb 0.37 -3.84 -0.06 0.00 -1.53 0.00 0.00 36.38 31.32 1rwt s VAL 229 CO -0.06 0.36 1.10 -2.65 -3.33 0.00 0.00 175.10 170.52 1rwt n PRO 230 N 3.34 1.22 -0.91 1.54 -0.02 -1.26 -2.40 135.00 136.51 1rwt n PRO 230 Ca -0.07 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1rwt n PRO 230 Cb 0.52 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1rwt n PRO 230 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rwt n GLY 231 N 1.10 0.56 0.00 -1.23 0.00 -1.26 -5.25 105.19 99.11 1rwt n GLY 231 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1rwt n GLY 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60