#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 0.43 0.00 4.33 -0.04 -1.26 -3.76 135.00 134.70 1rwt n PRO 15 Ca 0.00 -0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1rwt n PRO 15 Cb 0.00 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 1rwt n PRO 15 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1rwt n TRP 16 N -1.16 0.00 -4.07 0.54 7.02 -1.26 -1.70 117.44 116.81 1rwt n TRP 16 Ca 0.11 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.51 1rwt n TRP 16 Cb 0.30 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.10 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 -1.62 0.58 0.00 -5.99 2.02 -1.25 -4.68 117.35 106.42 1rwt s TYR 17 Ca 0.14 -1.05 0.00 0.00 -0.37 0.00 0.00 57.07 55.80 1rwt s TYR 17 Cb 0.12 -0.36 0.00 0.00 -0.40 0.00 0.00 41.96 41.32 1rwt s TYR 17 CO 0.31 -0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.24 1rwt n GLY 18 N 0.01 -2.41 0.32 0.71 0.00 -0.29 -3.72 105.19 99.80 1rwt n GLY 18 Ca -0.11 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.46 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 0.06 -0.53 1.61 0.13 -1.90 -2.87 132.00 128.50 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 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1rwt h PRO 19 CO 0.00 0.04 0.00 -0.25 -0.23 0.00 0.00 178.00 177.56 1rwt n ASP 20 N -4.47 4.99 -4.70 1.44 8.00 -1.26 -5.01 116.55 115.54 1rwt n ASP 20 Ca 0.03 -2.76 -0.31 0.00 0.71 0.00 0.00 54.79 52.47 1rwt n ASP 20 Cb 0.31 -0.61 0.14 0.00 -0.02 0.00 0.00 41.12 40.95 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 -2.41 1.38 0.61 -1.24 1.70 -1.08 -4.94 118.95 112.96 1rwt s ARG 21 Ca 0.50 1.45 -0.18 0.00 -0.47 0.00 0.00 55.73 57.04 1rwt s ARG 21 Cb 0.36 -1.78 -0.03 0.00 -0.57 0.00 0.00 34.95 32.94 1rwt s ARG 21 CO 0.17 -2.35 1.17 0.14 -1.08 0.00 0.00 175.30 173.35 1rwt s VAL 22 N -2.71 2.86 0.20 4.99 -7.23 -0.69 -5.02 120.40 112.80 1rwt s VAL 22 Ca 0.65 0.49 0.10 0.00 -1.81 0.00 0.00 61.98 61.41 1rwt s VAL 22 Cb -0.21 -3.13 -0.04 0.00 0.56 0.00 0.00 36.38 33.55 1rwt s VAL 22 CO 0.57 -0.16 -0.20 -0.54 -0.31 0.00 0.00 175.10 174.47 1rwt s LYS 23 N -3.54 1.43 0.08 4.82 -0.14 -1.26 -4.52 119.74 116.60 1rwt s LYS 23 Ca 0.74 -1.53 0.08 0.00 -1.36 0.00 0.00 55.97 53.90 1rwt s LYS 23 Cb -0.26 -1.53 0.41 0.00 -1.68 0.00 0.00 37.83 34.76 1rwt s LYS 23 CO 0.34 0.31 1.26 2.48 -0.76 0.00 0.00 175.35 178.98 1rwt n TYR 24 N 0.02 0.20 -0.83 3.18 0.18 -0.64 -1.73 117.16 117.53 1rwt n TYR 24 Ca -0.11 0.10 0.08 0.00 1.88 0.00 0.00 57.90 59.85 1rwt n TYR 24 Cb 0.58 -0.66 0.12 0.00 -0.38 0.00 0.00 39.34 39.00 1rwt n TYR 24 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1rwt n LEU 25 N -1.70 2.34 0.00 -3.48 4.77 -1.26 -5.04 117.00 112.63 1rwt n LEU 25 Ca 0.00 -2.85 0.00 0.00 -0.03 0.00 0.00 56.01 53.14 1rwt n LEU 25 Cb 0.05 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1rwt n LEU 25 CO 0.06 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1rwt n GLY 26 N -1.19 3.65 0.27 -0.72 0.00 -0.71 -1.62 105.19 104.88 1rwt n GLY 26 Ca 0.13 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.49 1.61 0.11 -1.98 -2.65 132.00 128.60 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 0.10 0.00 1.19 -0.21 0.00 0.00 178.00 179.08 1rwt n PHE 28 N -3.59 0.67 0.22 0.65 3.01 -0.64 -4.46 117.46 113.32 1rwt n PHE 28 Ca -0.02 -0.32 0.13 0.00 1.01 0.00 0.00 57.45 58.25 1rwt n PHE 28 Cb 0.22 -0.02 0.75 0.00 -0.01 0.00 0.00 39.48 40.42 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 2.74 0.00 0.00 4.37 0.02 -1.51 -3.47 113.55 115.70 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 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1rwt h SER 29 CO 0.02 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 1rwt n GLY 30 N -1.48 0.96 3.66 -3.77 0.00 -1.26 -4.58 105.19 98.72 1rwt n GLY 30 Ca -0.00 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 4.27 0.60 1.61 2.02 -1.26 -5.02 118.70 120.92 1rwt s GLU 31 Ca 0.00 1.43 -0.16 0.00 0.02 0.00 0.00 54.97 56.26 1rwt s GLU 31 Cb 0.00 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.54 1rwt s GLU 31 CO 0.00 -0.61 1.07 0.45 0.02 0.00 0.00 175.26 176.20 1rwt s SER 32 N 1.35 5.67 0.21 -0.19 0.15 -1.26 -4.98 113.70 114.64 1rwt s SER 32 Ca 0.47 1.90 -0.32 0.00 0.70 0.00 0.00 55.95 58.70 1rwt s SER 32 Cb -0.17 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.47 1rwt s SER 32 CO 0.09 -1.25 1.70 -2.65 1.20 0.00 0.00 173.24 172.34 1rwt n PRO 33 N -1.97 2.70 0.09 5.44 -0.02 -1.26 -4.87 135.00 135.11 1rwt n PRO 33 Ca 0.09 0.97 0.21 0.00 -2.02 0.00 0.00 63.50 62.75 1rwt n PRO 33 Cb 0.52 -2.81 0.74 0.00 -0.02 0.00 0.00 33.50 31.93 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 6.58 0.00 0.36 2.55 4.64 -2.01 -0.53 113.55 125.15 1rwt h SER 34 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1rwt h SER 34 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1rwt h SER 34 CO 0.94 0.00 -0.34 0.00 -0.87 0.00 0.00 176.83 176.57 1rwt n TYR 35 N -3.70 0.00 -3.44 4.77 0.18 -1.26 -4.42 117.16 109.28 1rwt n TYR 35 Ca 0.08 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.43 1rwt n TYR 35 Cb 0.64 -0.18 -0.03 0.00 -0.38 0.00 0.00 39.34 39.38 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 -2.70 6.19 0.00 -3.48 1.43 -0.21 -4.89 118.68 115.02 1rwt s LEU 36 Ca 0.19 -3.22 0.20 0.00 -1.03 0.00 0.00 54.13 50.27 1rwt s LEU 36 Cb 0.19 -2.10 0.58 0.00 0.03 0.00 0.00 46.19 44.88 1rwt s LEU 36 CO 0.59 -0.37 1.46 0.35 0.23 0.00 0.00 176.35 178.60 1rwt n THR 37 N 3.16 0.39 -1.98 5.49 -2.24 -1.26 -4.71 114.28 113.12 1rwt n THR 37 Ca 0.18 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1rwt n THR 37 Cb 0.41 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 1.26 0.44 0.12 3.38 0.00 -1.26 -4.30 105.19 104.82 1rwt n GLY 38 Ca 0.17 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 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 0.71 -4.04 1.61 2.13 -1.26 -1.14 120.64 117.67 1rwt n GLU 39 Ca 0.00 0.24 -0.27 0.00 0.66 0.00 0.00 57.16 57.78 1rwt n GLU 39 Cb 0.49 -1.69 -0.05 0.00 0.27 0.00 0.00 31.44 30.46 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 -2.56 3.23 0.38 4.31 0.08 -1.26 -5.00 117.98 117.16 1rwt s PHE 40 Ca -0.19 0.04 -0.28 0.00 0.12 0.00 0.00 56.93 56.62 1rwt s PHE 40 Cb 0.07 -1.57 -0.11 0.00 -0.57 0.00 0.00 43.02 40.84 1rwt s PHE 40 CO 0.76 0.52 1.48 -2.14 -0.10 0.00 0.00 175.22 175.74 1rwt s PRO 41 N -2.93 4.08 0.00 0.24 0.02 -1.26 -2.84 135.00 132.32 1rwt s PRO 41 Ca 0.31 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.88 1rwt s PRO 41 Cb -0.11 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1rwt s PRO 41 CO 0.24 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.78 1rwt n GLY 42 N 0.48 0.65 3.56 0.52 0.00 -1.26 -4.97 105.19 104.16 1rwt n GLY 42 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.23 5.95 -0.05 1.61 -1.08 -1.13 -4.74 116.67 114.99 1rwt s ASP 43 Ca 0.00 -0.84 0.20 0.00 -0.52 0.00 0.00 52.55 51.39 1rwt s ASP 43 Cb 0.00 -2.56 0.66 0.00 -1.46 0.00 0.00 42.92 39.56 1rwt s ASP 43 CO 0.00 -1.98 1.56 -1.22 0.52 0.00 0.00 175.17 174.05 1rwt n TYR 44 N 10.69 1.20 -2.07 -5.34 4.02 -1.26 -4.82 117.16 119.58 1rwt n TYR 44 Ca 0.27 -0.53 -0.05 0.00 -0.01 0.00 0.00 57.90 57.58 1rwt n TYR 44 Cb 0.50 -0.12 -0.00 0.00 -0.02 0.00 0.00 39.34 39.69 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 1.38 0.17 3.28 2.72 0.00 -1.26 -1.62 105.19 109.85 1rwt n GLY 45 Ca 0.24 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.27 3.15 -0.38 1.61 -0.00 -1.26 -4.56 118.94 115.22 1rwt s TRP 46 Ca 0.00 -1.27 0.06 0.00 -0.00 0.00 0.00 56.10 54.89 1rwt s TRP 46 Cb 0.00 -2.19 0.28 0.00 -0.00 0.00 0.00 33.47 31.56 1rwt s TRP 46 CO 0.00 -0.66 1.24 -3.47 -0.00 0.00 0.00 176.95 174.06 1rwt n ASP 47 N 4.78 -1.70 0.29 5.86 4.64 -1.26 -5.00 116.55 124.16 1rwt n ASP 47 Ca -0.15 -2.39 0.16 0.00 -1.38 0.00 0.00 54.79 51.03 1rwt n ASP 47 Cb 0.47 1.19 0.85 0.00 -1.04 0.00 0.00 41.12 42.58 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 1.55 0.00 -0.02 5.18 1.35 -2.05 0.16 112.91 119.08 1rwt h THR 48 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1rwt h THR 48 Cb 1.24 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1rwt h THR 48 CO -0.07 0.00 -0.13 0.00 -0.25 0.00 0.00 175.52 175.08 1rwt n ALA 49 N -1.88 2.75 -2.92 6.62 0.00 -1.26 -4.98 120.51 118.83 1rwt n ALA 49 Ca -0.02 -0.65 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 1rwt n ALA 49 Cb 0.23 -0.72 0.01 0.00 0.00 0.00 0.00 19.45 18.97 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 1.24 -0.51 0.05 0.00 0.00 0.55 -4.84 105.19 101.68 1rwt n GLY 50 Ca 0.11 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.58 0.26 -0.08 0.99 4.77 -1.26 -3.09 117.00 115.01 1rwt n LEU 51 Ca -0.11 0.55 0.10 0.00 -0.03 0.00 0.00 56.01 56.52 1rwt n LEU 51 Cb 0.61 -0.50 0.13 0.00 -2.33 0.00 0.00 43.42 41.33 1rwt n LEU 51 CO 0.40 -0.29 0.56 -1.20 -1.33 0.00 0.00 177.39 175.54 1rwt n SER 52 N -1.78 2.28 -0.25 -1.43 7.64 -1.26 -4.75 113.62 114.07 1rwt n SER 52 Ca 0.04 -3.04 0.03 0.00 1.01 0.00 0.00 58.87 56.91 1rwt n SER 52 Cb 0.24 -0.41 0.15 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.00 1.03 -2.09 -0.43 0.00 -1.94 -3.39 119.26 112.44 1rwt h ALA 53 Ca 0.00 0.06 -0.57 0.00 0.00 0.00 0.00 54.91 54.40 1rwt h ALA 53 Cb 1.00 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1rwt h ALA 53 CO 0.00 -0.07 0.88 0.34 0.00 0.00 0.00 179.25 180.40 1rwt s ASP 54 N -5.48 6.96 0.41 0.00 -1.08 -1.26 -4.93 116.67 111.30 1rwt s ASP 54 Ca -0.12 1.50 0.16 0.00 -0.52 0.00 0.00 52.55 53.57 1rwt s ASP 54 Cb 0.19 -2.54 1.05 0.00 -1.46 0.00 0.00 42.92 40.16 1rwt s ASP 54 CO 0.77 -0.78 1.86 1.55 0.52 0.00 0.00 175.17 179.09 1rwt h PRO 55 N 8.10 0.42 -0.36 4.34 0.13 -1.99 0.79 132.00 143.44 1rwt h PRO 55 Ca -0.24 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.74 1rwt h PRO 55 Cb 1.09 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1rwt h PRO 55 CO 0.98 0.28 -0.28 1.49 -0.23 0.00 0.00 178.00 180.24 1rwt h GLU 56 N 0.44 0.82 0.00 0.86 4.81 -1.92 -1.01 114.58 118.57 1rwt h GLU 56 Ca 0.45 -0.41 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1rwt h GLU 56 Cb 1.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1rwt h GLU 56 CO -0.17 1.04 -0.65 1.15 -0.73 0.00 0.00 179.01 179.65 1rwt h THR 57 N 0.61 1.46 -0.69 0.32 2.02 -1.71 -2.96 112.91 111.95 1rwt h THR 57 Ca 0.07 -2.24 -0.03 0.00 0.77 0.00 0.00 66.41 64.97 1rwt h THR 57 Cb 0.86 2.21 -0.03 0.00 -1.74 0.00 0.00 68.15 69.45 1rwt h THR 57 CO 0.07 0.64 0.30 0.15 0.37 0.00 0.00 175.52 177.06 1rwt h PHE 58 N 0.00 1.03 -0.78 3.16 3.57 -0.61 -0.59 116.94 122.72 1rwt h PHE 58 Ca -0.01 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 1rwt h PHE 58 Cb 1.16 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1rwt h PHE 58 CO 0.00 0.78 0.36 0.00 -2.23 0.00 0.00 178.31 177.22 1rwt h ALA 59 N 1.14 1.00 -0.25 2.41 0.00 -1.03 -1.14 119.26 121.39 1rwt h ALA 59 Ca 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1rwt h ALA 59 Cb 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1rwt h ALA 59 CO -0.02 0.58 0.04 0.87 0.00 0.00 0.00 179.25 180.72 1rwt h LYS 60 N 1.10 0.41 -0.67 0.00 1.79 -1.29 -2.44 116.57 115.47 1rwt h LYS 60 Ca 0.27 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1rwt h LYS 60 Cb 0.14 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 1rwt h LYS 60 CO -0.03 0.54 0.42 -0.91 -1.08 0.00 0.00 179.45 178.38 1rwt h ASN 61 N 0.22 0.79 -0.92 0.86 2.35 -0.86 0.13 115.58 118.15 1rwt h ASN 61 Ca 0.08 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1rwt h ASN 61 Cb 0.32 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 1rwt h ASN 61 CO 0.00 0.60 0.52 0.03 -1.65 0.00 0.00 177.43 176.93 1rwt h ARG 62 N 0.92 1.27 -0.24 0.81 3.08 -0.98 0.24 114.38 119.48 1rwt h ARG 62 Ca 0.24 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 60.05 1rwt h ARG 62 Cb -0.06 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.73 1rwt h ARG 62 CO -0.05 0.91 -0.27 0.93 -1.07 0.00 0.00 179.97 180.43 1rwt h GLU 63 N 1.28 0.60 -0.83 0.04 5.08 -0.78 -1.72 114.58 118.25 1rwt h GLU 63 Ca 0.32 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1rwt h GLU 63 Cb 0.00 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1rwt h GLU 63 CO -0.05 0.93 0.53 -0.07 -1.00 0.00 0.00 179.01 179.35 1rwt h LEU 64 N 0.30 0.89 0.56 1.33 3.38 -0.40 -1.51 115.31 119.86 1rwt h LEU 64 Ca 0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1rwt h LEU 64 Cb 0.84 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.39 1rwt h LEU 64 CO 0.07 0.62 -0.27 -0.08 0.09 0.00 0.00 178.44 178.86 1rwt h GLU 65 N 1.04 -0.72 -0.98 1.13 4.81 -0.39 -1.98 114.58 117.49 1rwt h GLU 65 Ca 0.33 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.65 1rwt h GLU 65 Cb -0.01 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 1rwt h GLU 65 CO -0.11 -0.42 0.64 0.28 -0.73 0.00 0.00 179.01 178.67 1rwt h VAL 66 N -0.96 1.14 -0.48 0.32 2.07 -1.25 0.18 116.25 117.27 1rwt h VAL 66 Ca -0.08 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1rwt h VAL 66 Cb 0.64 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1rwt h VAL 66 CO 0.13 0.22 0.09 0.40 0.02 0.00 0.00 177.57 178.43 1rwt h ILE 67 N 1.20 1.24 -0.66 4.57 1.08 -1.28 -1.91 117.51 121.75 1rwt h ILE 67 Ca 0.40 -0.89 -0.05 0.00 -0.39 0.00 0.00 64.86 63.94 1rwt h ILE 67 Cb 0.07 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 1rwt h ILE 67 CO -0.14 0.31 0.22 0.45 -0.69 0.00 0.00 178.15 178.31 1rwt h HIS 68 N 0.65 1.01 -0.11 1.37 3.86 -0.81 -2.33 115.15 118.80 1rwt h HIS 68 Ca 0.15 -0.08 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 1rwt h HIS 68 Cb 0.37 -0.30 -0.05 0.00 1.06 0.00 0.00 27.41 28.48 1rwt h HIS 68 CO 0.03 0.80 -0.23 0.00 0.86 0.00 0.00 177.93 179.39 1rwt h ARG 70 N -0.30 0.99 -0.52 0.00 3.08 -1.18 -0.63 114.38 115.83 1rwt h ARG 70 Ca 0.10 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1rwt h ARG 70 Cb 0.44 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1rwt h ARG 70 CO -0.28 0.80 0.10 -1.49 -1.07 0.00 0.00 179.97 178.03 1rwt h TRP 71 N 0.94 0.90 -0.42 3.04 4.06 -0.98 -2.15 115.95 121.34 1rwt h TRP 71 Ca 0.23 -0.12 -0.07 0.00 2.06 0.00 0.00 58.89 60.99 1rwt h TRP 71 Cb 0.16 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.05 1rwt h TRP 71 CO 0.01 0.80 -0.05 0.00 -3.56 0.00 0.00 178.44 175.64 1rwt h ALA 72 N 0.99 1.14 -0.30 1.49 0.00 -0.08 0.82 119.26 123.31 1rwt h ALA 72 Ca 0.16 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1rwt h ALA 72 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1rwt h ALA 72 CO 0.01 0.55 -0.08 0.52 0.00 0.00 0.00 179.25 180.25 1rwt h MET 73 N 0.65 0.58 -0.59 0.00 2.86 -0.95 0.14 114.93 117.63 1rwt h MET 73 Ca 0.12 -0.23 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 1rwt h MET 73 Cb 0.48 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1rwt h MET 73 CO 0.02 0.78 0.07 -0.07 1.06 0.00 0.00 176.91 178.78 1rwt h LEU 74 N 0.35 0.96 -0.56 1.22 3.38 -1.22 -2.76 115.31 116.68 1rwt h LEU 74 Ca 0.07 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1rwt h LEU 74 Cb 0.57 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1rwt h LEU 74 CO 0.03 0.99 0.11 1.23 0.09 0.00 0.00 178.44 180.89 1rwt h GLY 75 N 0.89 0.97 0.89 0.83 0.00 -0.60 0.78 103.07 106.84 1rwt h GLY 75 Ca 0.18 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1rwt h GLY 75 CO 0.02 0.59 0.08 0.00 0.00 0.00 0.00 176.54 177.22 1rwt h ALA 76 N 1.01 0.26 -0.40 3.60 0.00 -0.71 0.16 119.26 123.18 1rwt h ALA 76 Ca 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1rwt h ALA 76 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1rwt h ALA 76 CO 0.01 -0.15 0.15 1.25 0.00 0.00 0.00 179.25 180.51 1rwt h LEU 77 N 0.17 0.55 -1.21 0.00 5.85 -1.41 -2.35 115.31 116.91 1rwt h LEU 77 Ca 0.07 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1rwt h LEU 77 Cb 0.17 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1rwt h LEU 77 CO -0.01 0.58 -0.09 1.23 -0.34 0.00 0.00 178.44 179.81 1rwt h GLY 78 N 0.49 0.47 1.08 3.75 0.00 -0.64 -0.23 103.07 108.01 1rwt h GLY 78 Ca 0.13 -0.30 -0.16 0.00 0.00 0.00 0.00 47.33 47.00 1rwt h GLY 78 CO -0.01 0.28 -0.42 0.00 0.00 0.00 0.00 176.54 176.39 1rwt h VAL 80 N 0.62 1.35 -0.32 0.00 2.07 -1.25 -3.39 116.25 115.33 1rwt h VAL 80 Ca 0.04 -2.36 0.07 0.00 0.82 0.00 0.00 66.70 65.27 1rwt h VAL 80 Cb 1.02 2.72 -0.08 0.00 -1.52 0.00 0.00 31.29 33.42 1rwt h VAL 80 CO 0.10 0.71 -0.26 0.15 0.02 0.00 0.00 177.57 178.29 1rwt h PHE 81 N 0.11 -0.69 -0.62 1.57 3.57 -1.16 -0.61 116.94 119.11 1rwt h PHE 81 Ca -0.15 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 1rwt h PHE 81 Cb 1.73 0.35 -0.03 0.00 2.79 0.00 0.00 35.95 40.79 1rwt h PHE 81 CO 0.13 -0.33 0.22 -1.35 -2.23 0.00 0.00 178.31 174.75 1rwt h PRO 82 N -0.23 0.94 -0.29 6.41 0.11 -1.77 -1.83 132.00 135.35 1rwt h PRO 82 Ca 0.16 -0.18 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1rwt h PRO 82 Cb 0.48 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1rwt h PRO 82 CO -0.45 0.81 -0.03 1.49 -0.21 0.00 0.00 178.00 179.61 1rwt h GLU 83 N 0.87 0.44 -0.27 1.05 4.81 -1.53 -0.70 114.58 119.26 1rwt h GLU 83 Ca 0.20 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1rwt h GLU 83 Cb 0.24 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1rwt h GLU 83 CO -0.01 0.50 -0.01 1.25 -0.73 0.00 0.00 179.01 180.00 1rwt h LEU 84 N 0.43 0.48 -0.90 1.64 5.85 -0.69 -2.16 115.31 119.96 1rwt h LEU 84 Ca 0.09 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.40 1rwt h LEU 84 Cb 0.33 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1rwt h LEU 84 CO 0.01 0.69 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.58 1rwt h LEU 85 N 0.27 0.63 -1.10 2.25 3.38 -1.05 -2.53 115.31 117.15 1rwt h LEU 85 Ca 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1rwt h LEU 85 Cb 0.45 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1rwt h LEU 85 CO 0.02 0.80 0.47 0.00 0.09 0.00 0.00 178.44 179.81 1rwt h ALA 86 N 1.26 1.32 0.00 1.53 0.00 -0.97 0.37 119.26 122.77 1rwt h ALA 86 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rwt h ALA 86 Cb 0.59 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rwt h ALA 86 CO 0.04 0.57 0.00 0.54 0.00 0.00 0.00 179.25 180.40 1rwt n ARG 87 N -4.37 0.03 -0.52 0.00 1.74 -0.83 -2.68 116.66 110.03 1rwt n ARG 87 Ca 0.08 0.23 0.04 0.00 -0.77 0.00 0.00 57.85 57.44 1rwt n ARG 87 Cb 0.07 -1.55 0.20 0.00 -1.02 0.00 0.00 32.46 30.17 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 -1.61 2.64 0.00 0.55 4.13 0.07 -4.99 115.26 116.05 1rwt n ASN 88 Ca 0.04 -3.47 0.00 0.00 1.68 0.00 0.00 54.58 52.83 1rwt n ASN 88 Cb 0.21 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.90 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 -1.05 2.67 3.74 7.41 0.00 -1.05 -5.03 105.19 111.88 1rwt n GLY 89 Ca 0.24 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.67 2.29 -0.34 1.61 1.01 -0.88 -4.96 120.40 118.45 1rwt s VAL 90 Ca 0.00 0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 1rwt s VAL 90 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1rwt s VAL 90 CO 0.00 0.03 0.19 -0.54 0.00 0.00 0.00 175.10 174.78 1rwt s LYS 91 N 0.27 3.17 0.26 2.72 1.02 -1.26 -3.96 119.74 121.96 1rwt s LYS 91 Ca 0.67 -0.84 0.07 0.00 0.02 0.00 0.00 55.97 55.88 1rwt s LYS 91 Cb -0.46 -3.68 -0.03 0.00 -0.52 0.00 0.00 37.83 33.13 1rwt s LYS 91 CO 0.40 -0.53 0.21 -0.06 -0.92 0.00 0.00 175.35 174.44 1rwt s PHE 92 N 1.62 3.12 0.23 3.18 0.08 -1.26 -3.91 117.98 121.04 1rwt s PHE 92 Ca 0.04 -0.12 -0.05 0.00 0.12 0.00 0.00 56.93 56.92 1rwt s PHE 92 Cb -0.18 -1.43 0.22 0.00 -0.57 0.00 0.00 43.02 41.06 1rwt s PHE 92 CO 0.07 0.50 1.75 0.78 -0.10 0.00 0.00 175.22 178.22 1rwt h GLY 93 N 1.46 1.08 -5.90 4.36 0.00 -1.95 -3.41 103.07 98.71 1rwt h GLY 93 Ca -0.49 -0.68 0.03 0.00 0.00 0.00 0.00 47.33 46.19 1rwt h GLY 93 CO 0.61 0.63 -0.29 1.85 0.00 0.00 0.00 176.54 179.34 1rwt s GLU 94 N -5.21 0.51 -0.03 4.80 2.56 -1.26 -5.03 118.70 115.04 1rwt s GLU 94 Ca -0.11 1.00 0.12 0.00 0.00 0.00 0.00 54.97 55.99 1rwt s GLU 94 Cb 0.15 0.40 -0.23 0.00 2.00 0.00 0.00 34.13 36.45 1rwt s GLU 94 CO 0.83 -0.52 0.69 0.00 -0.56 0.00 0.00 175.26 175.70 1rwt h ALA 95 N 8.05 0.76 -2.57 6.30 0.00 -1.90 -3.40 119.26 126.49 1rwt h ALA 95 Ca -0.21 -1.43 -0.53 0.00 0.00 0.00 0.00 54.91 52.75 1rwt h ALA 95 Cb 1.14 0.46 0.04 0.00 0.00 0.00 0.00 17.79 19.43 1rwt h ALA 95 CO 0.22 1.56 0.94 0.08 0.00 0.00 0.00 179.25 182.05 1rwt s VAL 96 N -2.61 2.63 0.21 0.00 1.01 -1.26 -3.44 120.40 116.93 1rwt s VAL 96 Ca -0.04 0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 1rwt s VAL 96 Cb 0.08 -3.24 0.18 0.00 0.00 0.00 0.00 36.38 33.40 1rwt s VAL 96 CO 0.82 0.02 1.69 4.11 0.00 0.00 0.00 175.10 181.74 1rwt h TRP 97 N 7.27 0.10 0.00 5.22 5.08 -1.90 -1.12 115.95 130.60 1rwt h TRP 97 Ca -0.43 0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.58 1rwt h TRP 97 Cb 1.20 0.05 0.00 0.00 -3.00 0.00 0.00 29.16 27.41 1rwt h TRP 97 CO 0.69 -0.09 0.00 1.97 -1.28 0.00 0.00 178.44 179.73 1rwt n PHE 98 N -5.19 0.00 -0.17 0.12 1.16 -1.26 -2.61 117.46 109.51 1rwt n PHE 98 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.67 1rwt n PHE 98 Cb 0.34 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.20 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 -0.43 2.22 -0.29 3.97 5.02 -0.48 -4.81 118.16 123.36 1rwt n LYS 99 Ca 0.00 -0.11 -0.01 0.00 -2.02 0.00 0.00 58.31 56.17 1rwt n LYS 99 Cb 0.02 -0.48 0.17 0.00 -0.02 0.00 0.00 35.03 34.73 1rwt n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rwt h ALA 100 N 0.00 1.35 -0.59 7.82 0.00 -1.15 -2.80 119.26 123.89 1rwt h ALA 100 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1rwt h ALA 100 Cb 0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1rwt h ALA 100 CO 0.00 0.58 0.39 0.78 0.00 0.00 0.00 179.25 181.00 1rwt h GLY 101 N 1.18 0.76 2.00 0.00 0.00 -1.88 -2.53 103.07 102.60 1rwt h GLY 101 Ca 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1rwt h GLY 101 CO -0.06 0.21 0.00 -1.14 0.00 0.00 0.00 176.54 175.55 1rwt n SER 102 N -4.47 0.62 0.25 0.19 3.41 -1.06 -2.79 113.62 109.78 1rwt n SER 102 Ca 0.07 0.70 0.16 0.00 -0.26 0.00 0.00 58.87 59.54 1rwt n SER 102 Cb 0.17 -0.81 0.86 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.00 0.00 4.33 4.20 -1.59 0.66 115.11 122.70 1rwt h GLN 103 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rwt h GLN 103 Cb 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1rwt h GLN 103 CO 0.00 0.00 -0.02 0.97 -0.67 0.00 0.00 178.83 179.11 1rwt h ILE 104 N 0.00 0.10 -0.14 2.54 6.09 -1.75 -0.54 117.51 123.81 1rwt h ILE 104 Ca 0.04 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 1rwt h ILE 104 Cb 0.24 1.29 0.00 0.00 0.47 0.00 0.00 36.82 38.83 1rwt h ILE 104 CO -0.00 0.02 0.00 0.49 -3.07 0.00 0.00 178.15 175.59 1rwt n PHE 105 N -3.18 0.16 -1.32 2.19 3.72 0.22 -4.72 117.46 114.53 1rwt n PHE 105 Ca -0.01 -0.08 -0.31 0.00 -0.05 0.00 0.00 57.45 57.00 1rwt n PHE 105 Cb 0.21 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.83 1rwt n PHE 105 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1rwt s SER 106 N -1.80 4.66 0.22 4.37 0.01 -0.21 -4.94 113.70 116.01 1rwt s SER 106 Ca 0.34 1.78 -0.08 0.00 1.31 0.00 0.00 55.95 59.30 1rwt s SER 106 Cb 0.20 -2.51 0.28 0.00 0.21 0.00 0.00 66.02 64.20 1rwt s SER 106 CO 0.31 -1.93 1.83 -0.08 0.41 0.00 0.00 173.24 173.77 1rwt h GLU 107 N -1.06 0.79 -0.00 12.44 4.81 -1.92 -2.49 114.58 127.15 1rwt h GLU 107 Ca -0.44 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1rwt h GLU 107 Cb 1.23 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1rwt h GLU 107 CO 0.52 0.52 -0.51 0.41 -0.73 0.00 0.00 179.01 179.22 1rwt n GLY 108 N -1.30 -1.23 2.75 1.92 0.00 -1.26 -5.07 105.19 100.99 1rwt n GLY 108 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 1.50 -1.79 3.45 -0.02 0.00 -0.94 -4.82 105.19 102.57 1rwt n GLY 109 Ca 0.06 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 4.90 -0.17 0.99 0.20 0.22 -4.66 118.68 120.17 1rwt s LEU 110 Ca 0.00 -0.84 -0.06 0.00 0.69 0.00 0.00 54.13 53.92 1rwt s LEU 110 Cb 0.00 -2.12 -0.04 0.00 -0.43 0.00 0.00 46.19 43.60 1rwt s LEU 110 CO 0.00 -0.40 0.04 -1.81 -0.29 0.00 0.00 176.35 173.89 1rwt s ASP 111 N 1.65 5.46 0.11 3.68 1.01 -1.26 -1.27 116.67 126.05 1rwt s ASP 111 Ca 0.04 0.05 -0.31 0.00 0.71 0.00 0.00 52.55 53.05 1rwt s ASP 111 Cb -0.19 -1.91 -0.08 0.00 1.01 0.00 0.00 42.92 41.76 1rwt s ASP 111 CO 0.09 0.19 1.34 -0.47 0.21 0.00 0.00 175.17 176.53 1rwt s TYR 112 N 0.28 3.29 -2.05 4.23 5.04 -0.72 -2.12 117.35 125.30 1rwt s TYR 112 Ca 0.02 1.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.70 1rwt s TYR 112 Cb -0.13 -3.62 0.00 0.00 0.35 0.00 0.00 41.96 38.56 1rwt s TYR 112 CO 0.01 -2.11 0.00 1.28 -1.34 0.00 0.00 175.55 173.39 1rwt n LEU 113 N 3.82 -1.33 -0.49 6.97 4.77 -1.26 -0.61 117.00 128.87 1rwt n LEU 113 Ca 0.10 0.48 -0.06 0.00 -0.03 0.00 0.00 56.01 56.50 1rwt n LEU 113 Cb 0.43 -2.84 -0.03 0.00 -2.33 0.00 0.00 43.42 38.65 1rwt n LEU 113 CO 0.58 -1.09 -0.06 0.61 -1.33 0.00 0.00 177.39 176.10 1rwt n GLY 114 N -0.28 0.84 3.54 -0.72 0.00 -0.90 -4.68 105.19 102.99 1rwt n GLY 114 Ca -0.19 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.62 5.79 0.63 1.61 3.84 0.22 -4.97 114.94 119.44 1rwt s ASN 115 Ca 0.00 -0.14 0.36 0.00 0.21 0.00 0.00 52.86 53.29 1rwt s ASN 115 Cb 0.00 -2.07 1.98 0.00 -0.55 0.00 0.00 41.25 40.61 1rwt s ASN 115 CO 0.00 -0.08 2.11 -0.65 -2.79 0.00 0.00 177.10 175.69 1rwt h PRO 116 N 8.35 0.00 -0.08 0.43 0.11 -1.93 -1.30 132.00 137.58 1rwt h PRO 116 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1rwt h PRO 116 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1rwt h PRO 116 CO 0.57 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.79 1rwt n SER 117 N -2.90 1.70 -4.15 -2.05 7.64 -1.26 -4.57 113.62 108.02 1rwt n SER 117 Ca -0.02 -1.61 -0.33 0.00 1.01 0.00 0.00 58.87 57.91 1rwt n SER 117 Cb 0.19 -0.04 -0.15 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.83 2.66 0.00 -3.43 1.43 -0.49 -4.89 118.68 112.13 1rwt s LEU 118 Ca 0.36 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1rwt s LEU 118 Cb 0.20 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.85 1rwt s LEU 118 CO 0.31 -0.06 0.00 0.52 0.23 0.00 0.00 176.35 177.35 1rwt n VAL 119 N 4.62 0.00 -3.91 -1.59 0.31 -1.26 -1.75 118.33 114.75 1rwt n VAL 119 Ca -0.19 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.88 1rwt n VAL 119 Cb 0.48 0.00 0.00 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 -1.85 -2.16 3.52 -0.00 -1.06 -4.89 115.22 108.77 1rwt n HIS 120 Ca 0.00 0.81 -0.41 0.00 0.46 0.00 0.00 57.72 58.58 1rwt n HIS 120 Cb 0.00 -3.87 -0.02 0.00 -0.12 0.00 0.00 29.99 25.97 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 -3.68 3.49 0.00 1.57 0.00 -0.40 -4.75 121.76 117.99 1rwt s ALA 121 Ca 0.21 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1rwt s ALA 121 Cb -0.11 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1rwt s ALA 121 CO 0.86 -0.58 0.00 1.04 0.00 0.00 0.00 175.76 177.08 1rwt n GLN 122 N 1.03 1.70 -3.92 0.00 1.13 -1.26 -0.61 117.38 115.45 1rwt n GLN 122 Ca 0.01 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.72 1rwt n GLN 122 Cb 0.42 -0.93 -0.14 0.00 0.11 0.00 0.00 30.24 29.71 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 -2.02 4.86 0.38 1.08 0.15 -1.26 -4.94 113.70 111.94 1rwt s SER 123 Ca 0.00 -1.32 0.05 0.00 0.70 0.00 0.00 55.95 55.38 1rwt s SER 123 Cb 0.00 -1.70 0.74 0.00 -1.71 0.00 0.00 66.02 63.35 1rwt s SER 123 CO 0.00 -0.26 2.00 -0.29 1.20 0.00 0.00 173.24 175.88 1rwt h ILE 124 N 6.50 1.14 -0.62 6.45 6.09 -1.95 -1.79 117.51 133.33 1rwt h ILE 124 Ca -0.20 -0.39 -0.00 0.00 -1.37 0.00 0.00 64.86 62.90 1rwt h ILE 124 Cb 1.06 0.58 -0.03 0.00 0.47 0.00 0.00 36.82 38.90 1rwt h ILE 124 CO 0.53 0.16 0.37 -0.07 -3.07 0.00 0.00 178.15 176.08 1rwt h LEU 125 N 0.60 0.74 -0.35 2.19 3.38 -1.99 0.87 115.31 120.75 1rwt h LEU 125 Ca 0.15 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1rwt h LEU 125 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1rwt h LEU 125 CO -0.02 0.58 0.11 0.00 0.09 0.00 0.00 178.44 179.19 1rwt h ALA 126 N 1.19 0.46 0.12 1.53 0.00 -1.78 0.02 119.26 120.81 1rwt h ALA 126 Ca 0.22 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1rwt h ALA 126 Cb -0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1rwt h ALA 126 CO -0.04 0.11 -0.28 0.82 0.00 0.00 0.00 179.25 179.85 1rwt h ILE 127 N 0.42 0.39 -0.30 0.00 2.04 -0.98 -2.17 117.51 116.90 1rwt h ILE 127 Ca 0.11 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.04 1rwt h ILE 127 Cb 0.26 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 36.65 1rwt h ILE 127 CO -0.00 0.00 -0.25 -0.25 0.00 0.00 0.00 178.15 177.65 1rwt h TRP 128 N -0.49 -0.66 -0.68 1.37 7.01 -0.63 -1.82 115.95 120.04 1rwt h TRP 128 Ca 0.03 0.04 0.09 0.00 2.11 0.00 0.00 58.89 61.16 1rwt h TRP 128 Cb 0.52 0.34 -0.07 0.00 -2.10 0.00 0.00 29.16 27.85 1rwt h TRP 128 CO -0.25 -0.32 0.33 0.00 -2.79 0.00 0.00 178.44 175.40 1rwt h ALA 129 N 0.86 0.92 -0.67 2.65 0.00 -0.78 -1.63 119.26 120.62 1rwt h ALA 129 Ca 0.16 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1rwt h ALA 129 Cb 0.47 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1rwt h ALA 129 CO -0.44 -0.08 0.16 0.00 0.00 0.00 0.00 179.25 178.89 1rwt h GLN 131 N 1.00 0.94 -0.08 0.00 4.15 -0.69 0.24 115.11 120.66 1rwt h GLN 131 Ca 0.21 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1rwt h GLN 131 Cb 0.38 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 1rwt h GLN 131 CO 0.00 0.81 0.05 0.28 -1.93 0.00 0.00 178.83 178.05 1rwt h VAL 132 N 0.87 1.04 0.61 2.39 2.07 -1.22 0.15 116.25 122.15 1rwt h VAL 132 Ca 0.20 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 1rwt h VAL 132 Cb 0.24 0.95 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1rwt h VAL 132 CO -0.01 0.03 -0.29 0.40 0.02 0.00 0.00 177.57 177.72 1rwt h ILE 133 N 0.10 0.34 -0.11 4.57 1.08 -1.30 0.16 117.51 122.33 1rwt h ILE 133 Ca 0.03 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1rwt h ILE 133 Cb 0.01 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 1rwt h ILE 133 CO -0.01 0.03 0.07 -0.07 -0.69 0.00 0.00 178.15 177.48 1rwt h LEU 134 N -0.96 0.13 -0.32 1.44 3.38 -0.52 -1.64 115.31 116.82 1rwt h LEU 134 Ca -0.08 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 1rwt h LEU 134 Cb 0.67 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1rwt h LEU 134 CO 0.14 0.11 -0.55 0.24 0.09 0.00 0.00 178.44 178.47 1rwt h MET 135 N 0.14 0.84 -0.28 1.13 2.86 -0.78 -2.34 114.93 116.49 1rwt h MET 135 Ca 0.04 -0.54 0.01 0.00 -2.06 0.00 0.00 59.70 57.15 1rwt h MET 135 Cb 0.00 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1rwt h MET 135 CO -0.01 1.17 0.19 0.78 1.06 0.00 0.00 176.91 180.10 1rwt h GLY 136 N 0.73 0.38 0.21 8.32 0.00 -0.61 0.17 103.07 112.27 1rwt h GLY 136 Ca 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1rwt h GLY 136 CO 0.12 0.13 -0.06 0.00 0.00 0.00 0.00 176.54 176.73 1rwt h ALA 137 N 1.83 0.00 0.00 3.60 0.00 -1.19 -2.75 119.26 120.75 1rwt h ALA 137 Ca 0.11 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1rwt h ALA 137 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1rwt h ALA 137 CO -0.02 -0.04 -0.32 -0.39 0.00 0.00 0.00 179.25 178.48 1rwt h VAL 138 N -0.79 0.90 -0.13 0.00 -1.51 -1.23 -0.67 116.25 112.81 1rwt h VAL 138 Ca -0.01 -1.25 -0.21 0.00 -1.23 0.00 0.00 66.70 64.00 1rwt h VAL 138 Cb 0.90 1.75 0.01 0.00 -2.13 0.00 0.00 31.29 31.81 1rwt h VAL 138 CO 0.01 0.31 -0.77 -0.33 -1.23 0.00 0.00 177.57 175.56 1rwt h GLU 139 N 0.00 0.69 -0.46 5.19 4.39 -1.07 -1.85 114.58 121.46 1rwt h GLU 139 Ca -0.00 -0.57 -0.01 0.00 0.34 0.00 0.00 59.36 59.12 1rwt h GLU 139 Cb 0.72 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1rwt h GLU 139 CO 0.04 1.18 0.25 0.78 -1.16 0.00 0.00 179.01 180.10 1rwt h GLY 140 N 0.76 0.69 1.07 -3.84 0.00 -1.11 -2.34 103.07 98.29 1rwt h GLY 140 Ca -0.05 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 46.98 1rwt h GLY 140 CO 0.15 0.30 0.61 -0.97 0.00 0.00 0.00 176.54 176.64 1rwt h TYR 141 N 0.60 1.15 0.00 5.60 0.99 -1.06 0.11 116.97 124.36 1rwt h TYR 141 Ca 0.16 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.91 1rwt h TYR 141 Cb 0.06 -0.39 -0.00 0.00 1.00 0.00 0.00 36.73 37.40 1rwt h TYR 141 CO -0.02 0.71 -0.03 -0.09 -0.00 0.00 0.00 178.16 178.74 1rwt h ARG 142 N 1.23 0.00 0.05 4.88 2.43 -0.80 0.63 114.38 122.80 1rwt h ARG 142 Ca 0.34 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 59.15 1rwt h ARG 142 Cb -0.11 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1rwt h ARG 142 CO -0.08 0.03 -2.05 -0.89 -1.51 0.00 0.00 179.97 175.46 1rwt n ILE 143 N -4.18 1.62 0.87 1.20 2.08 -0.54 -4.59 119.36 115.82 1rwt n ILE 143 Ca -0.03 -0.46 0.10 0.00 0.56 0.00 0.00 62.75 62.92 1rwt n ILE 143 Cb 0.11 -1.74 0.01 0.00 -0.75 0.00 0.00 39.64 37.26 1rwt n ILE 143 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1rwt n ALA 144 N -3.35 3.29 0.00 -1.39 0.00 0.26 -4.93 120.51 114.39 1rwt n ALA 144 Ca -0.39 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1rwt n ALA 144 Cb 0.93 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 1.28 -1.31 0.00 0.00 0.00 0.22 -4.68 105.19 100.70 1rwt n GLY 145 Ca 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.70 1.87 0.65 -0.02 0.00 0.56 -4.60 105.19 102.95 1rwt n GLY 146 Ca 0.00 -0.34 0.46 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -0.37 1.61 0.11 -2.00 0.26 132.00 131.61 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 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1rwt h PRO 147 CO 0.00 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 1rwt n LEU 148 N -3.93 3.02 0.00 2.35 4.77 -1.26 -5.07 117.00 116.88 1rwt n LEU 148 Ca 0.37 -1.82 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 1rwt n LEU 148 Cb 1.75 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 42.59 1rwt n LEU 148 CO 0.42 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1rwt n GLY 149 N 0.81 2.84 3.89 -0.72 0.00 0.08 -4.37 105.19 107.72 1rwt n GLY 149 Ca 0.14 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.04 3.43 -0.32 1.61 2.56 -1.26 -0.32 118.70 122.36 1rwt s GLU 150 Ca 0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 54.97 54.47 1rwt s GLU 150 Cb 0.00 -3.15 -0.01 0.00 2.00 0.00 0.00 34.13 32.98 1rwt s GLU 150 CO 0.00 0.73 1.51 0.08 -0.56 0.00 0.00 175.26 177.02 1rwt s VAL 151 N -1.16 3.83 0.00 3.70 1.01 -1.26 -4.83 120.40 121.69 1rwt s VAL 151 Ca 0.20 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1rwt s VAL 151 Cb -0.12 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1rwt s VAL 151 CO 0.10 -0.51 0.00 0.52 0.00 0.00 0.00 175.10 175.22 1rwt n VAL 152 N 6.75 0.00 -3.25 2.92 0.31 -1.26 -4.93 118.33 118.87 1rwt n VAL 152 Ca 0.18 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.09 1rwt n VAL 152 Cb 0.47 -0.63 -0.08 0.00 -0.91 0.00 0.00 33.84 32.68 1rwt n VAL 152 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rwt s ASP 153 N 0.16 6.28 0.30 4.52 -1.08 -1.26 -4.97 116.67 120.62 1rwt s ASP 153 Ca 0.00 -0.21 0.06 0.00 -0.52 0.00 0.00 52.55 51.88 1rwt s ASP 153 Cb 0.00 -2.26 0.82 0.00 -1.46 0.00 0.00 42.92 40.02 1rwt s ASP 153 CO 0.00 -0.53 1.68 -0.65 0.52 0.00 0.00 175.17 176.18 1rwt h PRO 154 N 8.57 0.33 0.00 4.34 0.11 -1.94 -2.78 132.00 140.63 1rwt h PRO 154 Ca -0.27 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.64 1rwt h PRO 154 Cb 1.12 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1rwt h PRO 154 CO 0.79 0.22 -1.70 1.28 -0.21 0.00 0.00 178.00 178.37 1rwt n LEU 155 N -5.09 0.54 -3.42 2.35 4.77 -1.26 -4.67 117.00 110.22 1rwt n LEU 155 Ca 0.24 0.24 -0.27 0.00 -0.03 0.00 0.00 56.01 56.19 1rwt n LEU 155 Cb 0.75 0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.90 1rwt n LEU 155 CO 0.10 0.19 0.04 -1.22 -1.33 0.00 0.00 177.39 175.17 1rwt n TYR 156 N -2.75 3.26 -0.16 -1.77 4.01 -1.05 -4.96 117.16 113.74 1rwt n TYR 156 Ca -0.13 -4.11 -0.04 0.00 -0.16 0.00 0.00 57.90 53.46 1rwt n TYR 156 Cb 0.85 -0.54 0.03 0.00 -0.31 0.00 0.00 39.34 39.37 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 4.20 -0.09 0.00 -0.72 0.11 -1.82 -3.42 132.00 130.26 1rwt h PRO 157 Ca 0.19 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1rwt h PRO 157 Cb 0.68 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1rwt h PRO 157 CO 0.80 -0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.94 1rwt n GLY 158 N -1.41 0.14 7.00 -0.55 0.00 -1.26 -4.87 105.19 104.24 1rwt n GLY 158 Ca 0.04 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 2.62 0.34 -0.02 0.00 -1.26 0.73 105.19 107.60 1rwt n GLY 159 Ca 0.00 0.33 0.18 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.52 1.61 0.02 -1.90 -1.41 113.55 111.35 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 -3.75 0.69 -2.88 3.45 3.01 0.22 -4.21 117.46 113.99 1rwt n PHE 161 Ca 0.02 -0.35 -0.12 0.00 1.01 0.00 0.00 57.45 58.01 1rwt n PHE 161 Cb 0.36 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.85 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 1.05 0.50 -0.33 4.37 2.03 -0.53 -4.67 116.55 118.96 1rwt n ASP 162 Ca 0.18 -2.90 0.18 0.00 0.52 0.00 0.00 54.79 52.77 1rwt n ASP 162 Cb 0.45 -0.17 0.39 0.00 -0.72 0.00 0.00 41.12 41.07 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 2.90 0.43 -0.03 -0.67 0.11 -1.73 0.42 132.00 133.43 1rwt h PRO 163 Ca -0.04 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1rwt h PRO 163 Cb 1.10 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1rwt h PRO 163 CO 0.41 0.29 0.00 1.28 -0.21 0.00 0.00 178.00 179.76 1rwt n LEU 164 N -4.99 0.76 -2.69 2.35 4.77 -1.26 -4.91 117.00 111.03 1rwt n LEU 164 Ca 0.27 -0.28 -0.17 0.00 -0.03 0.00 0.00 56.01 55.80 1rwt n LEU 164 Cb 0.79 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1rwt n LEU 164 CO 0.13 0.14 -0.13 0.61 -1.33 0.00 0.00 177.39 176.81 1rwt n GLY 165 N 1.04 -0.50 0.32 -0.72 0.00 0.15 -4.82 105.19 100.66 1rwt n GLY 165 Ca 0.19 0.03 0.21 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.36 0.00 -3.44 0.99 3.38 -1.91 -1.43 115.31 112.53 1rwt h LEU 166 Ca -0.38 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1rwt h LEU 166 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1rwt h LEU 166 CO 0.44 0.00 0.02 0.00 0.09 0.00 0.00 178.44 179.00 1rwt n ALA 167 N -2.04 3.57 -0.11 1.53 0.00 -1.26 -4.62 120.51 117.58 1rwt n ALA 167 Ca -0.03 -2.17 -0.11 0.00 0.00 0.00 0.00 53.44 51.13 1rwt n ALA 167 Cb 0.07 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 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 2.83 0.56 -3.08 0.00 3.32 -1.63 -3.42 116.42 115.00 1rwt h ASP 168 Ca 0.03 -0.33 -0.57 0.00 0.02 0.00 0.00 57.03 56.18 1rwt h ASP 168 Cb 1.77 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 41.12 1rwt h ASP 168 CO 0.39 0.76 0.86 -0.62 -1.72 0.00 0.00 179.24 178.91 1rwt s ASP 169 N -6.10 6.96 0.31 6.45 2.15 -1.26 -4.93 116.67 120.25 1rwt s ASP 169 Ca -0.13 1.39 0.07 0.00 0.43 0.00 0.00 52.55 54.31 1rwt s ASP 169 Cb 0.08 -2.54 0.88 0.00 -0.30 0.00 0.00 42.92 41.04 1rwt s ASP 169 CO 0.77 -0.79 1.65 -0.65 -0.17 0.00 0.00 175.17 175.98 1rwt h PRO 170 N 8.05 0.23 -0.18 4.34 0.11 -1.99 0.19 132.00 142.76 1rwt h PRO 170 Ca -0.22 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.80 1rwt h PRO 170 Cb 1.08 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1rwt h PRO 170 CO 0.99 0.15 -0.16 1.49 -0.21 0.00 0.00 178.00 180.26 1rwt h GLU 171 N 0.24 0.42 -0.68 1.05 4.81 -1.96 -2.34 114.58 116.12 1rwt h GLU 171 Ca 0.63 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.58 1rwt h GLU 171 Cb 1.37 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 1rwt h GLU 171 CO -0.66 0.78 0.18 0.00 -0.73 0.00 0.00 179.01 178.58 1rwt h ALA 172 N 0.64 1.02 -0.29 2.92 0.00 -1.67 -2.63 119.26 119.25 1rwt h ALA 172 Ca 0.03 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1rwt h ALA 172 Cb 0.69 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1rwt h ALA 172 CO 0.04 0.64 0.06 0.35 0.00 0.00 0.00 179.25 180.35 1rwt h PHE 173 N 1.02 0.11 -0.59 0.00 3.57 -0.96 0.32 116.94 120.40 1rwt h PHE 173 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1rwt h PHE 173 Cb 0.34 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 1rwt h PHE 173 CO 0.03 0.03 0.37 0.00 -2.23 0.00 0.00 178.31 176.50 1rwt h ALA 174 N 1.21 1.54 0.03 2.41 0.00 -1.14 -1.81 119.26 121.49 1rwt h ALA 174 Ca 0.13 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1rwt h ALA 174 Cb 0.14 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 17.70 1rwt h ALA 174 CO -0.17 0.41 -0.80 1.49 0.00 0.00 0.00 179.25 180.19 1rwt h GLU 175 N 0.81 0.49 -0.55 0.00 4.81 -1.00 -3.24 114.58 115.90 1rwt h GLU 175 Ca 0.22 -0.56 0.03 0.00 -0.13 0.00 0.00 59.36 58.91 1rwt h GLU 175 Cb -0.05 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1rwt h GLU 175 CO -0.04 1.20 0.36 -0.07 -0.73 0.00 0.00 179.01 179.73 1rwt h LEU 176 N 0.02 0.55 -0.81 1.64 3.38 -0.12 -1.41 115.31 118.56 1rwt h LEU 176 Ca -0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1rwt h LEU 176 Cb 1.50 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 1rwt h LEU 176 CO 0.16 0.38 0.51 0.11 0.09 0.00 0.00 178.44 179.69 1rwt h LYS 177 N 0.64 1.08 -0.36 1.13 1.57 -1.38 0.16 116.57 119.43 1rwt h LYS 177 Ca 0.22 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1rwt h LYS 177 Cb 0.07 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1rwt h LYS 177 CO -0.06 0.75 0.13 0.28 -0.57 0.00 0.00 179.45 179.98 1rwt h VAL 178 N 1.10 1.20 -0.71 0.50 2.07 -1.32 -1.27 116.25 117.82 1rwt h VAL 178 Ca 0.29 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1rwt h VAL 178 Cb -0.07 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1rwt h VAL 178 CO -0.06 0.22 0.46 0.11 0.02 0.00 0.00 177.57 178.32 1rwt h LYS 179 N 0.43 0.95 0.38 1.57 1.57 -0.76 -0.14 116.57 120.56 1rwt h LYS 179 Ca 0.12 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1rwt h LYS 179 Cb 0.22 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1rwt h LYS 179 CO -0.01 0.64 -0.18 1.49 -0.57 0.00 0.00 179.45 180.82 1rwt h GLU 180 N 0.97 -0.49 0.00 3.15 4.81 -0.24 -1.81 114.58 120.97 1rwt h GLU 180 Ca 0.26 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 1rwt h GLU 180 Cb -0.09 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1rwt h GLU 180 CO -0.05 -0.19 -0.13 0.82 -0.73 0.00 0.00 179.01 178.73 1rwt h ILE 181 N -0.80 1.00 -0.01 2.32 2.04 -1.06 0.21 117.51 121.21 1rwt h ILE 181 Ca -0.05 -0.46 -0.14 0.00 1.00 0.00 0.00 64.86 65.21 1rwt h ILE 181 Cb 0.53 1.25 0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1rwt h ILE 181 CO 0.09 0.13 -0.55 0.11 0.00 0.00 0.00 178.15 177.92 1rwt h LYS 182 N 0.00 0.38 -0.75 2.37 1.57 -1.00 -0.91 116.57 118.22 1rwt h LYS 182 Ca -0.00 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.33 1rwt h LYS 182 Cb 0.24 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1rwt h LYS 182 CO 0.02 1.08 0.29 -0.91 -0.57 0.00 0.00 179.45 179.35 1rwt h ASN 183 N -0.15 1.05 -0.76 0.86 2.35 -1.04 -1.68 115.58 116.22 1rwt h ASN 183 Ca -0.07 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.47 1rwt h ASN 183 Cb 1.27 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 39.33 1rwt h ASN 183 CO 0.11 0.95 0.34 1.23 -1.65 0.00 0.00 177.43 178.40 1rwt h GLY 184 N 1.09 1.21 1.25 2.83 0.00 -0.58 -0.53 103.07 108.35 1rwt h GLY 184 Ca 0.25 -0.62 -0.16 0.00 0.00 0.00 0.00 47.33 46.80 1rwt h GLY 184 CO -0.02 0.59 -0.43 3.21 0.00 0.00 0.00 176.54 179.89 1rwt h ARG 185 N 1.11 0.81 -0.82 4.80 3.08 -0.91 -1.25 114.38 121.20 1rwt h ARG 185 Ca 0.26 -0.44 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 1rwt h ARG 185 Cb 0.16 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1rwt h ARG 185 CO -0.03 1.08 0.38 1.25 -1.07 0.00 0.00 179.97 181.57 1rwt h LEU 186 N 0.65 1.09 -0.47 3.04 5.85 -0.92 -0.60 115.31 123.96 1rwt h LEU 186 Ca 0.05 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 1rwt h LEU 186 Cb 1.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1rwt h LEU 186 CO 0.10 0.93 -0.15 0.00 -0.34 0.00 0.00 178.44 178.98 1rwt h ALA 187 N 1.20 0.65 -0.31 1.25 0.00 -0.92 -0.66 119.26 120.47 1rwt h ALA 187 Ca 0.28 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1rwt h ALA 187 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1rwt h ALA 187 CO -0.03 0.58 0.10 0.52 0.00 0.00 0.00 179.25 180.42 1rwt h MET 188 N 0.77 0.48 -0.11 0.00 2.86 -1.00 0.24 114.93 118.17 1rwt h MET 188 Ca 0.11 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1rwt h MET 188 Cb 0.71 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.26 1rwt h MET 188 CO 0.05 0.53 -0.17 0.35 1.06 0.00 0.00 176.91 178.73 1rwt h PHE 189 N 0.35 -0.43 -0.60 -0.22 3.57 -0.99 -0.67 116.94 117.94 1rwt h PHE 189 Ca 0.10 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 1rwt h PHE 189 Cb 0.25 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1rwt h PHE 189 CO 0.01 -0.24 0.13 0.77 -2.23 0.00 0.00 178.31 176.74 1rwt h SER 190 N -0.22 0.89 -0.69 0.41 0.02 -0.91 -1.72 113.55 111.33 1rwt h SER 190 Ca 0.09 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 1rwt h SER 190 Cb 0.35 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1rwt h SER 190 CO -0.24 0.88 0.30 0.24 -1.14 0.00 0.00 176.83 176.87 1rwt h MET 191 N 0.90 1.04 -0.34 3.45 2.86 0.02 0.31 114.93 123.17 1rwt h MET 191 Ca 0.19 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1rwt h MET 191 Cb 0.35 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1rwt h MET 191 CO 0.00 0.83 0.05 0.35 1.06 0.00 0.00 176.91 179.20 1rwt h PHE 192 N 1.02 0.51 -0.35 -0.22 3.57 -0.61 -0.43 116.94 120.43 1rwt h PHE 192 Ca 0.24 -0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.55 1rwt h PHE 192 Cb 0.16 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1rwt h PHE 192 CO 0.01 0.47 -0.41 0.78 -2.23 0.00 0.00 178.31 176.94 1rwt h GLY 193 N 0.76 0.94 1.04 2.40 0.00 -0.14 -2.31 103.07 105.76 1rwt h GLY 193 Ca 0.11 -0.98 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 1rwt h GLY 193 CO 0.00 0.88 0.51 0.74 0.00 0.00 0.00 176.54 178.68 1rwt h PHE 194 N 0.70 1.23 0.04 5.60 0.05 0.66 -0.48 116.94 124.74 1rwt h PHE 194 Ca 0.05 -0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 1rwt h PHE 194 Cb 0.99 -0.40 0.00 0.00 2.00 0.00 0.00 35.95 38.54 1rwt h PHE 194 CO 0.06 0.84 -0.02 0.74 -0.18 0.00 0.00 178.31 179.75 1rwt h PHE 195 N 1.27 -0.05 -0.49 -0.55 0.04 -0.96 -2.02 116.94 114.19 1rwt h PHE 195 Ca 0.32 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.99 1rwt h PHE 195 Cb 0.00 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 1rwt h PHE 195 CO 0.01 0.24 -0.09 0.28 -0.60 0.00 0.00 178.31 178.15 1rwt h VAL 196 N -0.33 1.27 -0.48 -0.55 2.07 -1.35 -2.49 116.25 114.39 1rwt h VAL 196 Ca -0.01 -1.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.24 1rwt h VAL 196 Cb 0.31 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1rwt h VAL 196 CO 0.01 0.42 0.05 1.56 0.02 0.00 0.00 177.57 179.63 1rwt h GLN 197 N 0.78 0.76 0.10 1.57 4.20 -1.12 0.15 115.11 121.55 1rwt h GLN 197 Ca 0.13 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1rwt h GLN 197 Cb 0.64 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1rwt h GLN 197 CO 0.04 0.74 -0.05 0.00 -0.67 0.00 0.00 178.83 178.89 1rwt h ALA 198 N 1.33 -0.13 -0.91 3.87 0.00 -1.27 0.37 119.26 122.52 1rwt h ALA 198 Ca 0.15 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1rwt h ALA 198 Cb 0.37 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1rwt h ALA 198 CO 0.01 -0.49 0.59 0.82 0.00 0.00 0.00 179.25 180.18 1rwt h ILE 199 N -0.31 1.24 0.20 0.00 2.04 -1.13 -0.67 117.51 118.88 1rwt h ILE 199 Ca -0.01 -0.45 -0.30 0.00 1.00 0.00 0.00 64.86 65.10 1rwt h ILE 199 Cb 0.26 -0.09 0.03 0.00 -0.74 0.00 0.00 36.82 36.27 1rwt h ILE 199 CO 0.02 0.23 -1.36 0.58 0.00 0.00 0.00 178.15 177.62 1rwt h VAL 200 N 1.23 1.25 0.00 1.67 2.07 -0.54 -3.39 116.25 118.55 1rwt h VAL 200 Ca 0.33 -2.60 -0.09 0.00 0.82 0.00 0.00 66.70 65.16 1rwt h VAL 200 Cb -0.13 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 1rwt h VAL 200 CO -0.07 0.79 -1.57 0.35 0.02 0.00 0.00 177.57 177.09 1rwt n THR 201 N -3.82 0.69 -0.97 2.57 -2.24 0.13 -4.96 114.28 105.68 1rwt n THR 201 Ca -0.18 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1rwt n THR 201 Cb 1.01 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 1.33 0.33 3.63 3.38 0.00 -0.26 -4.97 105.19 108.63 1rwt n GLY 202 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.78 2.01 0.55 1.61 1.02 -1.26 -5.08 119.74 117.81 1rwt s LYS 203 Ca 0.00 -2.22 -0.16 0.00 0.02 0.00 0.00 55.97 53.61 1rwt s LYS 203 Cb 0.00 -1.24 -0.06 0.00 -0.52 0.00 0.00 37.83 36.01 1rwt s LYS 203 CO 0.00 -0.30 1.01 0.20 -0.92 0.00 0.00 175.35 175.34 1rwt s GLY 204 N -3.72 2.08 0.26 -3.33 0.00 -1.26 -4.54 107.32 96.81 1rwt s GLY 204 Ca 0.20 0.26 -0.02 0.00 0.00 0.00 0.00 44.72 45.16 1rwt s GLY 204 CO 0.11 0.55 1.85 -0.56 0.00 0.00 0.00 173.10 175.04 1rwt h PRO 205 N 0.70 0.98 -0.01 2.90 0.13 -1.96 -0.90 132.00 133.84 1rwt h PRO 205 Ca -0.47 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 64.45 1rwt h PRO 205 Cb 1.20 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 1rwt h PRO 205 CO 0.60 0.65 -0.69 -0.07 -0.23 0.00 0.00 178.00 178.25 1rwt h LEU 206 N 1.00 0.08 -0.96 1.56 3.38 -1.96 -2.16 115.31 116.25 1rwt h LEU 206 Ca 0.44 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.24 1rwt h LEU 206 Cb 0.31 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1rwt h LEU 206 CO -0.22 0.75 -0.50 -0.08 0.09 0.00 0.00 178.44 178.48 1rwt h GLU 207 N 0.05 0.05 -0.46 1.13 4.81 -1.82 -1.50 114.58 116.83 1rwt h GLU 207 Ca -0.01 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1rwt h GLU 207 Cb 1.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1rwt h GLU 207 CO 0.09 0.54 0.23 -0.91 -0.73 0.00 0.00 179.01 178.23 1rwt h ASN 208 N 0.04 0.60 -0.61 1.04 -0.26 -0.76 0.11 115.58 115.74 1rwt h ASN 208 Ca -0.00 -0.12 -0.05 0.00 -0.56 0.00 0.00 56.30 55.56 1rwt h ASN 208 Cb 0.90 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.98 1rwt h ASN 208 CO 0.07 0.55 0.17 0.25 -1.06 0.00 0.00 177.43 177.41 1rwt h LEU 209 N 0.61 0.90 -0.18 1.61 5.85 -0.91 -0.70 115.31 122.48 1rwt h LEU 209 Ca 0.16 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1rwt h LEU 209 Cb 0.11 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1rwt h LEU 209 CO -0.02 0.88 0.04 0.00 -0.34 0.00 0.00 178.44 179.00 1rwt h ALA 210 N 1.05 0.24 -0.63 1.25 0.00 -1.01 -0.71 119.26 119.46 1rwt h ALA 210 Ca 0.19 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1rwt h ALA 210 Cb 0.32 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1rwt h ALA 210 CO -0.00 -0.11 0.37 -0.44 0.00 0.00 0.00 179.25 179.08 1rwt h ASP 211 N 0.10 0.59 -0.60 0.00 3.32 -0.62 -1.14 116.42 118.07 1rwt h ASP 211 Ca 0.06 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1rwt h ASP 211 Cb 0.29 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1rwt h ASP 211 CO 0.00 0.41 0.29 -0.74 -1.72 0.00 0.00 179.24 177.48 1rwt h HIS 212 N 0.72 0.86 0.00 4.55 2.76 -0.92 -2.19 115.15 120.94 1rwt h HIS 212 Ca 0.26 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 1rwt h HIS 212 Cb 0.06 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 28.75 1rwt h HIS 212 CO -0.06 0.66 -0.09 -0.07 -1.30 0.00 0.00 177.93 177.07 1rwt h LEU 213 N 0.82 0.00 -1.14 0.26 3.38 -0.64 0.62 115.31 118.61 1rwt h LEU 213 Ca 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1rwt h LEU 213 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1rwt h LEU 213 CO -0.03 0.09 -0.18 0.00 0.09 0.00 0.00 178.44 178.41 1rwt h ALA 214 N 1.91 1.02 -0.27 1.53 0.00 -0.56 -3.40 119.26 119.48 1rwt h ALA 214 Ca -0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1rwt h ALA 214 Cb 0.47 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.07 1rwt h ALA 214 CO 0.01 0.23 -0.15 0.34 0.00 0.00 0.00 179.25 179.68 1rwt s ASP 215 N -6.11 -0.41 0.25 0.00 -1.08 -0.86 -5.05 116.67 103.42 1rwt s ASP 215 Ca 0.01 -0.37 -0.03 0.00 -0.52 0.00 0.00 52.55 51.64 1rwt s ASP 215 Cb 0.10 0.53 0.49 0.00 -1.46 0.00 0.00 42.92 42.57 1rwt s ASP 215 CO 0.62 -0.03 1.74 -0.65 0.52 0.00 0.00 175.17 177.38 1rwt h PRO 216 N 4.79 0.50 -0.25 4.34 0.11 -1.13 0.82 132.00 141.18 1rwt h PRO 216 Ca -0.01 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.91 1rwt h PRO 216 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1rwt h PRO 216 CO -0.08 0.33 -0.46 0.28 -0.21 0.00 0.00 178.00 177.86 1rwt h VAL 217 N 0.51 1.30 0.00 3.15 2.07 -1.97 -3.34 116.25 117.97 1rwt h VAL 217 Ca 0.43 -1.66 -0.21 0.00 0.82 0.00 0.00 66.70 66.09 1rwt h VAL 217 Cb 0.64 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 1rwt h VAL 217 CO -0.39 0.53 -1.53 0.59 0.02 0.00 0.00 177.57 176.79 1rwt n ASN 218 N -4.14 0.85 -4.25 0.57 3.02 -1.06 -4.62 115.26 105.62 1rwt n ASN 218 Ca -0.05 0.38 -0.42 0.00 -0.03 0.00 0.00 54.58 54.46 1rwt n ASN 218 Cb 0.57 0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.83 1rwt n ASN 218 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rwt n ASN 219 N -2.93 5.21 -2.88 6.41 3.02 0.28 -4.72 115.26 119.65 1rwt n ASN 219 Ca -0.12 -3.09 -0.13 0.00 -0.03 0.00 0.00 54.58 51.21 1rwt n ASN 219 Cb 0.91 -1.28 -0.01 0.00 -0.61 0.00 0.00 39.78 38.79 1rwt n ASN 219 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1rwt n ASN 220 N 2.47 -1.57 -0.34 6.41 0.23 -1.26 -4.15 115.26 117.05 1rwt n ASN 220 Ca 0.24 -2.76 0.22 0.00 -0.53 0.00 0.00 54.58 51.75 1rwt n ASN 220 Cb 0.38 2.81 0.45 0.00 -2.08 0.00 0.00 39.78 41.34 1rwt n ASN 220 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1rwt h ALA 221 N 2.01 1.94 -0.03 -2.53 0.00 -1.95 0.15 119.26 118.86 1rwt h ALA 221 Ca -0.28 0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1rwt h ALA 221 Cb 1.17 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1rwt h ALA 221 CO 0.37 -0.50 0.13 -1.49 0.00 0.00 0.00 179.25 177.77 1rwt h TRP 222 N 0.41 0.00 0.00 0.00 4.06 -1.96 0.05 115.95 118.51 1rwt h TRP 222 Ca 0.70 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.64 1rwt h TRP 222 Cb 1.54 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.70 1rwt h TRP 222 CO -0.01 0.00 -0.05 -0.97 -3.56 0.00 0.00 178.44 173.86 1rwt h ASN 223 N 0.00 0.00 -0.22 -3.49 -0.73 -0.97 -2.60 115.58 107.56 1rwt h ASN 223 Ca 0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1rwt h ASN 223 Cb 0.28 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.87 1rwt h ASN 223 CO -0.00 0.05 0.00 0.49 -0.37 0.00 0.00 177.43 177.60 1rwt n PHE 224 N -3.75 0.29 0.22 0.67 3.01 -0.00 -4.72 117.46 113.18 1rwt n PHE 224 Ca -0.03 -0.29 0.17 0.00 1.01 0.00 0.00 57.45 58.32 1rwt n PHE 224 Cb 0.14 -0.01 0.77 0.00 -0.01 0.00 0.00 39.48 40.36 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 2.27 1.71 -0.20 4.37 0.00 -1.47 -1.41 119.26 124.54 1rwt h ALA 225 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1rwt h ALA 225 Cb 0.65 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1rwt h ALA 225 CO 0.00 -0.50 -0.06 0.25 0.00 0.00 0.00 179.25 178.95 1rwt n THR 226 N -3.26 2.25 0.70 0.00 -2.24 -1.26 -4.64 114.28 105.83 1rwt n THR 226 Ca 0.02 -2.30 0.12 0.00 -2.27 0.00 0.00 64.05 59.63 1rwt n THR 226 Cb 0.51 -0.27 0.24 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.95 0.61 -1.60 3.42 4.13 -0.53 -4.11 115.26 116.24 1rwt n ASN 227 Ca 0.23 0.10 -0.12 0.00 1.68 0.00 0.00 54.58 56.47 1rwt n ASN 227 Cb 0.85 0.06 0.08 0.00 -1.54 0.00 0.00 39.78 39.24 1rwt n ASN 227 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1rwt n PHE 228 N -1.94 1.67 -2.72 3.10 3.01 -1.26 -5.05 117.46 114.27 1rwt n PHE 228 Ca 0.04 -1.92 -0.42 0.00 1.01 0.00 0.00 57.45 56.16 1rwt n PHE 228 Cb 0.41 -0.30 -0.03 0.00 -0.01 0.00 0.00 39.48 39.55 1rwt n PHE 228 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1rwt s VAL 229 N -3.94 4.83 0.26 -4.37 1.01 -1.26 -5.01 120.40 111.93 1rwt s VAL 229 Ca 0.45 2.00 -0.30 0.00 0.00 0.00 0.00 61.98 64.13 1rwt s VAL 229 Cb 0.39 -4.30 -0.11 0.00 0.00 0.00 0.00 36.38 32.37 1rwt s VAL 229 CO -0.01 0.06 1.53 -2.84 0.00 0.00 0.00 175.10 173.85 1rwt s PRO 230 N 1.66 4.19 0.00 2.72 0.02 -1.26 -5.19 135.00 137.13 1rwt s PRO 230 Ca 0.48 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.95 1rwt s PRO 230 Cb -0.19 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1rwt s PRO 230 CO 0.21 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.74