#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uwt h LEU 12 N 0.00 0.40 -0.34 -2.12 7.12 -2.05 -1.76 115.31 116.56 2uwt h LEU 12 Ca 0.00 -0.03 -0.19 0.00 0.13 0.00 0.00 57.88 57.80 2uwt h LEU 12 Cb 0.00 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.03 2uwt h LEU 12 CO 0.00 0.34 -0.61 0.00 -0.13 0.00 0.00 178.44 178.05 2uwt h ALA 13 N 1.72 0.51 -0.42 1.25 0.00 -2.05 -1.73 119.26 118.53 2uwt h ALA 13 Ca 0.12 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.50 2uwt h ALA 13 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2uwt h ALA 13 CO -0.02 0.69 0.27 0.77 0.00 0.00 0.00 179.25 180.96 2uwt h SER 14 N 0.55 0.46 -0.67 0.00 0.02 -1.89 -1.44 113.55 110.58 2uwt h SER 14 Ca -0.00 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2uwt h SER 14 Cb 1.20 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 2uwt h SER 14 CO 0.12 0.33 0.27 0.25 -1.14 0.00 0.00 176.83 176.66 2uwt h LEU 15 N 0.55 0.93 -0.63 5.07 5.85 -1.27 -2.09 115.31 123.72 2uwt h LEU 15 Ca 0.16 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2uwt h LEU 15 Cb -0.04 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 2uwt h LEU 15 CO -0.05 0.85 0.14 0.00 -0.34 0.00 0.00 178.44 179.04 2uwt h ALA 16 N 1.12 0.83 -0.17 1.25 0.00 -1.08 0.55 119.26 121.76 2uwt h ALA 16 Ca 0.22 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2uwt h ALA 16 Cb 0.21 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2uwt h ALA 16 CO -0.02 0.56 -0.70 0.97 0.00 0.00 0.00 179.25 180.06 2uwt h ILE 17 N 0.93 1.29 0.00 0.00 6.09 -1.09 -0.69 117.51 124.04 2uwt h ILE 17 Ca 0.20 -1.90 -0.00 0.00 -1.37 0.00 0.00 64.86 61.78 2uwt h ILE 17 Cb 0.37 1.96 0.00 0.00 0.47 0.00 0.00 36.82 39.62 2uwt h ILE 17 CO 0.00 0.60 -0.00 0.22 -3.07 0.00 0.00 178.15 175.91 2uwt h TYR 18 N 0.50 -0.00 -0.96 2.19 3.20 -1.30 -2.09 116.97 118.51 2uwt h TYR 18 Ca -0.04 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 61.97 2uwt h TYR 18 Cb 1.33 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.51 2uwt h TYR 18 CO 0.09 0.12 0.61 0.77 -1.64 0.00 0.00 178.16 178.11 2uwt h SER 19 N -0.13 0.81 -0.45 -2.11 0.02 -0.82 -2.59 113.55 108.29 2uwt h SER 19 Ca -0.00 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 2uwt h SER 19 Cb 0.13 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2uwt h SER 19 CO 0.00 0.41 -0.06 0.15 -1.14 0.00 0.00 176.83 176.19 2uwt h PHE 20 N 0.86 0.92 -0.29 3.45 3.57 -0.68 0.10 116.94 124.87 2uwt h PHE 20 Ca 0.49 -0.18 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 2uwt h PHE 20 Cb 0.62 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 2uwt h PHE 20 CO -0.00 0.91 -0.05 -1.49 -2.23 0.00 0.00 178.31 175.45 2uwt h TRP 21 N 0.67 0.48 -0.18 0.41 4.06 -1.05 0.20 115.95 120.53 2uwt h TRP 21 Ca 0.12 -0.05 -0.08 0.00 2.06 0.00 0.00 58.89 60.93 2uwt h TRP 21 Cb 0.59 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.61 2uwt h TRP 21 CO 0.05 0.51 -0.21 0.82 -3.56 0.00 0.00 178.44 176.05 2uwt h ILE 22 N 0.44 1.34 -0.72 1.49 2.04 -1.13 -1.18 117.51 119.79 2uwt h ILE 22 Ca 0.09 -1.40 0.05 0.00 1.00 0.00 0.00 64.86 64.60 2uwt h ILE 22 Cb 0.37 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 2uwt h ILE 22 CO 0.02 0.42 0.43 0.15 0.00 0.00 0.00 178.15 179.16 2uwt h PHE 23 N 0.11 0.79 -0.18 1.37 3.57 -0.29 -2.18 116.94 120.12 2uwt h PHE 23 Ca 0.02 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.39 2uwt h PHE 23 Cb 0.76 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2uwt h PHE 23 CO 0.09 0.41 -0.56 1.25 -2.23 0.00 0.00 178.31 177.27 2uwt h LEU 24 N 0.80 0.61 -0.28 0.59 5.85 -0.43 -0.17 115.31 122.28 2uwt h LEU 24 Ca 0.31 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2uwt h LEU 24 Cb 0.12 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2uwt h LEU 24 CO -0.15 1.04 0.07 0.00 -0.34 0.00 0.00 178.44 179.06 2uwt h ALA 25 N 0.97 0.30 -0.95 1.25 0.00 -0.99 -1.17 119.26 118.67 2uwt h ALA 25 Ca 0.01 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2uwt h ALA 25 Cb 1.10 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 2uwt h ALA 25 CO 0.10 -0.34 0.62 0.78 0.00 0.00 0.00 179.25 180.41 2uwt h GLY 26 N 0.18 1.38 0.90 0.00 0.00 -1.01 -2.01 103.07 102.50 2uwt h GLY 26 Ca 0.13 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 2uwt h GLY 26 CO -0.16 0.42 0.10 -2.00 0.00 0.00 0.00 176.54 174.90 2uwt h LEU 27 N 1.21 0.39 -1.16 3.11 5.85 -0.77 0.67 115.31 124.61 2uwt h LEU 27 Ca 0.37 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 2uwt h LEU 27 Cb -0.02 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2uwt h LEU 27 CO -0.11 0.47 0.21 0.40 -0.34 0.00 0.00 178.44 179.06 2uwt h ILE 28 N 0.29 1.20 0.78 4.05 2.04 -1.08 0.21 117.51 125.01 2uwt h ILE 28 Ca 0.09 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 2uwt h ILE 28 Cb 0.21 0.56 0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2uwt h ILE 28 CO -0.01 0.25 -0.38 0.22 0.00 0.00 0.00 178.15 178.24 2uwt h TYR 29 N 0.79 -0.98 -0.71 1.37 3.20 -1.12 0.17 116.97 119.70 2uwt h TYR 29 Ca 0.19 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.19 2uwt h TYR 29 Cb 0.17 0.32 -0.12 0.00 1.54 0.00 0.00 36.73 38.65 2uwt h TYR 29 CO 0.01 -0.59 0.08 -0.92 -1.64 0.00 0.00 178.16 175.09 2uwt h TYR 30 N -1.12 0.09 -0.21 -3.82 3.20 -0.49 -1.78 116.97 112.84 2uwt h TYR 30 Ca -0.11 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 2uwt h TYR 30 Cb 0.82 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 2uwt h TYR 30 CO -0.01 -0.16 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.12 2uwt h LEU 31 N 0.17 0.51 -0.24 2.82 3.38 -0.33 0.71 115.31 122.33 2uwt h LEU 31 Ca 0.39 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2uwt h LEU 31 Cb 0.67 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2uwt h LEU 31 CO -0.56 0.86 0.14 -0.61 0.09 0.00 0.00 178.44 178.35 2uwt h GLN 32 N 0.17 0.33 -0.72 1.13 5.75 -0.46 -1.72 115.11 119.60 2uwt h GLN 32 Ca 0.04 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 2uwt h GLN 32 Cb 0.69 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 2uwt h GLN 32 CO 0.04 0.28 0.20 1.79 -2.65 0.00 0.00 178.83 178.50 2uwt h THR 33 N 0.29 1.26 -0.77 2.39 1.35 -1.23 -0.57 112.91 115.63 2uwt h THR 33 Ca 0.09 -0.94 0.16 0.00 -0.55 0.00 0.00 66.41 65.17 2uwt h THR 33 Cb 0.04 0.50 -0.05 0.00 -1.73 0.00 0.00 68.15 66.92 2uwt h THR 33 CO -0.01 0.36 0.52 -0.33 -0.25 0.00 0.00 175.52 175.81 2uwt h GLU 34 N 1.07 0.34 -0.22 4.72 4.39 -0.69 -0.92 114.58 123.28 2uwt h GLU 34 Ca 0.23 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2uwt h GLU 34 Cb 0.34 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2uwt h GLU 34 CO -0.00 0.23 0.00 0.09 -1.16 0.00 0.00 179.01 178.16 2uwt n ASN 35 N -4.46 1.26 -1.05 1.42 3.02 -0.24 -3.22 115.26 111.99 2uwt n ASN 35 Ca 0.15 -1.94 0.08 0.00 -0.03 0.00 0.00 54.58 52.84 2uwt n ASN 35 Cb 0.59 -0.15 0.27 0.00 -0.61 0.00 0.00 39.78 39.88 2uwt n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2uwt n MET 36 N 0.16 3.25 0.00 3.52 2.81 -0.35 -4.53 117.12 121.99 2uwt n MET 36 Ca 0.09 -2.70 0.12 0.00 -1.81 0.00 0.00 57.70 53.40 2uwt n MET 36 Cb 0.21 -1.77 0.62 0.00 -0.71 0.00 0.00 33.22 31.58 2uwt n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2uwt n ARG 37 N 0.10 0.37 -4.03 0.03 1.74 -1.20 -4.45 116.66 109.22 2uwt n ARG 37 Ca 0.20 0.05 -0.14 0.00 -0.77 0.00 0.00 57.85 57.20 2uwt n ARG 37 Cb 0.82 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.62 2uwt n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2uwt s GLU 38 N -2.55 0.27 0.00 5.56 0.41 -1.26 -4.16 118.70 116.98 2uwt s GLU 38 Ca 0.24 -0.21 0.00 0.00 -0.41 0.00 0.00 54.97 54.58 2uwt s GLU 38 Cb 0.16 -0.21 0.00 0.00 -1.78 0.00 0.00 34.13 32.30 2uwt s GLU 38 CO 0.37 0.05 0.00 0.41 -0.49 0.00 0.00 175.26 175.60 2uwt n GLY 39 N 2.73 1.48 3.72 -1.39 0.00 -1.26 -5.02 105.19 105.45 2uwt n GLY 39 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 2uwt n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uwt s TYR 40 N -2.68 2.94 0.68 1.61 1.51 -1.26 -4.34 117.35 115.81 2uwt s TYR 40 Ca 0.00 -0.11 -0.14 0.00 -1.01 0.00 0.00 57.07 55.81 2uwt s TYR 40 Cb 0.00 -1.39 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 2uwt s TYR 40 CO 0.00 0.53 1.10 -1.25 -1.11 0.00 0.00 175.55 174.82 2uwt s PRO 41 N -3.23 2.72 0.77 -1.71 0.05 -1.26 -4.80 135.00 127.54 2uwt s PRO 41 Ca 0.30 1.29 -0.15 0.00 0.05 0.00 0.00 61.00 62.49 2uwt s PRO 41 Cb -0.09 -1.95 0.04 0.00 0.05 0.00 0.00 34.50 32.55 2uwt s PRO 41 CO 0.21 -1.30 1.00 1.28 0.05 0.00 0.00 177.00 178.24 2uwt n LEU 42 N -2.70 3.48 -4.20 -3.56 4.77 -1.26 -4.92 117.00 108.61 2uwt n LEU 42 Ca 0.10 0.61 -0.16 0.00 -0.03 0.00 0.00 56.01 56.53 2uwt n LEU 42 Cb 0.52 -1.42 -0.11 0.00 -2.33 0.00 0.00 43.42 40.08 2uwt n LEU 42 CO 0.50 -2.06 -0.43 -1.61 -1.33 0.00 0.00 177.39 172.45 2uwt s GLU 43 N -3.63 0.92 0.80 3.23 2.02 -1.26 -1.71 118.70 119.06 2uwt s GLU 43 Ca 0.72 -1.20 -0.12 0.00 0.02 0.00 0.00 54.97 54.39 2uwt s GLU 43 Cb -0.31 -0.67 0.07 0.00 0.10 0.00 0.00 34.13 33.31 2uwt s GLU 43 CO 0.52 0.11 1.14 -0.80 0.02 0.00 0.00 175.26 176.25 2uwt s ASN 44 N -2.47 4.61 0.18 -0.19 0.01 0.50 -4.62 114.94 112.96 2uwt s ASN 44 Ca 0.07 0.98 0.10 0.00 -0.71 0.00 0.00 52.86 53.30 2uwt s ASN 44 Cb -0.03 -1.60 0.56 0.00 0.41 0.00 0.00 41.25 40.59 2uwt s ASN 44 CO 0.01 -1.86 1.25 -0.62 -1.51 0.00 0.00 177.10 174.38 2uwt n GLU 45 N -3.32 0.07 0.00 -0.60 1.02 -1.26 -1.25 120.64 115.30 2uwt n GLU 45 Ca 0.07 0.53 0.11 0.00 -0.02 0.00 0.00 57.16 57.85 2uwt n GLU 45 Cb 0.59 -1.83 -0.02 0.00 -0.02 0.00 0.00 31.44 30.16 2uwt n GLU 45 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2uwt n ASP 46 N -1.85 1.87 0.00 1.62 5.68 -1.26 -4.98 116.55 117.64 2uwt n ASP 46 Ca -0.01 -1.44 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 2uwt n ASP 46 Cb 0.12 0.55 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 2uwt n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2uwt n GLY 47 N 1.41 0.60 3.90 6.12 0.00 -0.38 -5.09 105.19 111.74 2uwt n GLY 47 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2uwt n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2uwt s THR 48 N -2.00 4.91 0.14 2.61 -4.23 -1.26 -4.79 115.64 111.02 2uwt s THR 48 Ca 0.00 0.26 -0.33 0.00 -1.18 0.00 0.00 61.69 60.44 2uwt s THR 48 Cb 0.00 -3.77 -0.13 0.00 1.34 0.00 0.00 72.50 69.94 2uwt s THR 48 CO 0.00 -0.54 1.67 -2.65 -0.54 0.00 0.00 174.62 172.56 2uwt n PRO 49 N -1.45 2.37 -2.26 3.99 -0.02 -1.26 -0.37 135.00 136.00 2uwt n PRO 49 Ca 0.00 0.86 -0.34 0.00 -2.02 0.00 0.00 63.50 62.00 2uwt n PRO 49 Cb 0.54 -2.66 -0.00 0.00 -0.02 0.00 0.00 33.50 31.36 2uwt n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uwt s ALA 50 N 1.50 2.73 0.12 3.55 0.00 -0.69 -4.66 121.76 124.30 2uwt s ALA 50 Ca 0.80 0.67 -0.16 0.00 0.00 0.00 0.00 51.96 53.26 2uwt s ALA 50 Cb -0.62 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 2uwt s ALA 50 CO 0.38 -0.69 1.60 0.00 0.00 0.00 0.00 175.76 177.04 2uwt h ALA 51 N 1.07 0.48 -2.18 0.00 0.00 -1.93 -3.40 119.26 113.30 2uwt h ALA 51 Ca -0.49 -0.21 -0.66 0.00 0.00 0.00 0.00 54.91 53.55 2uwt h ALA 51 Cb 1.24 -0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.74 2uwt h ALA 51 CO 0.57 0.19 0.10 1.21 0.00 0.00 0.00 179.25 181.33 2uwt s ASN 52 N -6.02 6.31 0.00 0.00 2.47 -1.26 -4.90 114.94 111.53 2uwt s ASN 52 Ca -0.13 -0.41 0.26 0.00 0.42 0.00 0.00 52.86 53.00 2uwt s ASN 52 Cb 0.09 -2.31 0.57 0.00 -1.45 0.00 0.00 41.25 38.15 2uwt s ASN 52 CO 0.77 -0.78 1.46 0.00 -3.72 0.00 0.00 177.10 174.82 2uwt n GLN 53 N 6.23 1.42 -0.14 0.43 1.13 -1.26 -4.90 117.38 120.29 2uwt n GLN 53 Ca -0.02 -1.00 0.02 0.00 -1.94 0.00 0.00 57.00 54.06 2uwt n GLN 53 Cb 0.48 -1.48 -0.00 0.00 0.11 0.00 0.00 30.24 29.34 2uwt n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2uwt n GLY 54 N 1.31 -1.42 0.03 1.08 0.00 -1.26 -4.64 105.19 100.30 2uwt n GLY 54 Ca 0.14 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.79 2uwt n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2uwt n PRO 55 N -1.49 0.20 -3.50 1.61 -0.04 -1.26 -4.79 135.00 125.73 2uwt n PRO 55 Ca 0.00 -0.07 -0.37 0.00 -0.04 0.00 0.00 63.50 63.02 2uwt n PRO 55 Cb 0.06 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.96 2uwt n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2uwt s PHE 56 N -2.85 3.47 0.42 0.54 0.08 -1.26 -5.10 117.98 113.28 2uwt s PHE 56 Ca 0.17 0.65 -0.06 0.00 0.12 0.00 0.00 56.93 57.81 2uwt s PHE 56 Cb 0.19 -2.38 -0.05 0.00 -0.57 0.00 0.00 43.02 40.22 2uwt s PHE 56 CO 0.57 0.23 0.72 -1.25 -0.10 0.00 0.00 175.22 175.39 2uwt s PRO 57 N 0.48 3.61 0.46 0.24 0.04 -1.26 -5.05 135.00 133.52 2uwt s PRO 57 Ca 0.18 0.18 -0.25 0.00 0.04 0.00 0.00 61.00 61.16 2uwt s PRO 57 Cb -0.13 -2.45 -0.08 0.00 0.04 0.00 0.00 34.50 31.88 2uwt s PRO 57 CO 0.05 -0.05 1.38 -0.51 0.04 0.00 0.00 177.00 177.90 2uwt s LEU 58 N -4.26 4.07 0.73 -3.56 1.43 -1.26 -4.84 118.68 110.99 2uwt s LEU 58 Ca 0.47 2.81 -0.11 0.00 -1.03 0.00 0.00 54.13 56.27 2uwt s LEU 58 Cb -0.10 -4.01 0.03 0.00 0.03 0.00 0.00 46.19 42.13 2uwt s LEU 58 CO 0.38 -1.18 1.07 -2.16 0.23 0.00 0.00 176.35 174.69 2uwt s PRO 59 N -2.52 2.64 0.29 1.29 0.04 -1.26 -5.01 135.00 130.47 2uwt s PRO 59 Ca 0.62 0.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 2uwt s PRO 59 Cb -0.41 -1.97 -0.13 0.00 0.04 0.00 0.00 34.50 32.03 2uwt s PRO 59 CO 0.52 -1.27 1.29 1.63 0.04 0.00 0.00 177.00 179.20 2uwt n LYS 60 N -3.22 1.95 -1.32 4.56 5.02 -1.26 -4.61 118.16 119.27 2uwt n LYS 60 Ca 0.07 0.69 -0.35 0.00 -2.02 0.00 0.00 58.31 56.70 2uwt n LYS 60 Cb 0.55 -2.26 0.10 0.00 -0.02 0.00 0.00 35.03 33.39 2uwt n LYS 60 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2uwt n PRO 61 N 1.15 0.48 -4.31 1.97 -0.04 -1.26 -4.72 135.00 128.27 2uwt n PRO 61 Ca 0.08 0.22 -0.18 0.00 -0.04 0.00 0.00 63.50 63.59 2uwt n PRO 61 Cb 0.33 -2.31 -0.10 0.00 -0.04 0.00 0.00 33.50 31.38 2uwt n PRO 61 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2uwt s LYS 62 N -3.56 1.22 -0.12 0.54 -2.85 0.51 -4.93 119.74 110.55 2uwt s LYS 62 Ca 0.74 -1.47 0.02 0.00 -1.00 0.00 0.00 55.97 54.26 2uwt s LYS 62 Cb -0.33 -1.03 0.01 0.00 -2.06 0.00 0.00 37.83 34.43 2uwt s LYS 62 CO 0.50 0.18 -0.18 0.99 0.10 0.00 0.00 175.35 176.93 2uwt s THR 63 N -2.74 1.73 -0.14 3.79 2.01 -1.26 -1.42 115.64 117.60 2uwt s THR 63 Ca 0.18 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 2uwt s THR 63 Cb -0.02 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2uwt s THR 63 CO 0.05 0.49 0.49 -0.36 -0.69 0.00 0.00 174.62 174.60 2uwt s PHE 64 N 0.94 3.47 -0.38 4.92 0.08 -0.17 -4.95 117.98 121.89 2uwt s PHE 64 Ca -0.06 0.86 -0.23 0.00 0.12 0.00 0.00 56.93 57.62 2uwt s PHE 64 Cb -0.15 -2.59 0.01 0.00 -0.57 0.00 0.00 43.02 39.72 2uwt s PHE 64 CO -0.02 0.08 0.76 0.42 -0.10 0.00 0.00 175.22 176.36 2uwt s ILE 65 N 0.94 4.74 0.21 0.64 1.01 -1.26 -1.64 121.20 125.84 2uwt s ILE 65 Ca 0.26 0.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.33 2uwt s ILE 65 Cb -0.15 -4.21 -0.08 0.00 0.01 0.00 0.00 42.46 38.02 2uwt s ILE 65 CO 0.10 -0.47 0.95 -0.76 0.00 0.00 0.00 174.94 174.75 2uwt s LEU 66 N 3.07 4.62 0.88 2.97 1.43 -0.22 -5.00 118.68 126.41 2uwt s LEU 66 Ca 0.30 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 55.20 2uwt s LEU 66 Cb -0.13 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.60 2uwt s LEU 66 CO 0.18 0.11 1.13 -2.16 0.23 0.00 0.00 176.35 175.83 2uwt s PRO 67 N -0.93 1.43 -1.57 1.29 0.04 -1.26 -4.16 135.00 129.85 2uwt s PRO 67 Ca 0.42 0.39 -0.05 0.00 0.04 0.00 0.00 61.00 61.80 2uwt s PRO 67 Cb -0.26 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2uwt s PRO 67 CO 0.32 -2.02 0.58 0.72 0.04 0.00 0.00 177.00 176.64 2uwt n HIS 68 N -3.66 -1.94 -1.50 0.56 8.25 -1.26 -2.54 115.22 113.14 2uwt n HIS 68 Ca 0.07 0.50 -0.17 0.00 -0.26 0.00 0.00 57.72 57.86 2uwt n HIS 68 Cb 0.58 -4.45 -0.07 0.00 1.12 0.00 0.00 29.99 27.18 2uwt n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uwt n GLY 69 N -1.50 1.68 0.00 -1.41 0.00 -1.26 -4.86 105.19 97.85 2uwt n GLY 69 Ca -0.12 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.89 2uwt n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uwt n ARG 70 N -2.28 0.35 0.00 1.61 5.12 -1.05 -5.01 116.66 115.40 2uwt n ARG 70 Ca -0.17 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 2uwt n ARG 70 Cb 0.59 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.39 2uwt n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2uwt n GLY 71 N 0.69 0.51 3.18 -0.13 0.00 -1.26 -4.92 105.19 103.26 2uwt n GLY 71 Ca 0.11 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 2uwt n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2uwt s THR 72 N 0.00 0.05 -0.04 2.61 -4.23 -1.26 -1.06 115.64 111.71 2uwt s THR 72 Ca 0.00 -1.95 0.03 0.00 -1.18 0.00 0.00 61.69 58.58 2uwt s THR 72 Cb 0.00 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.56 2uwt s THR 72 CO 0.00 -0.22 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.53 2uwt s LEU 73 N -3.11 1.73 -0.13 4.79 2.96 -0.65 -4.92 118.68 119.35 2uwt s LEU 73 Ca 0.32 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 2uwt s LEU 73 Cb 0.07 -0.70 0.01 0.00 0.50 0.00 0.00 46.19 46.07 2uwt s LEU 73 CO 0.07 0.06 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.06 2uwt s THR 74 N 0.35 2.18 -0.02 3.68 2.01 -1.26 -1.00 115.64 121.58 2uwt s THR 74 Ca -0.07 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 60.95 2uwt s THR 74 Cb -0.12 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.53 2uwt s THR 74 CO 0.02 0.55 0.08 0.68 -0.69 0.00 0.00 174.62 175.25 2uwt s VAL 75 N 0.70 0.02 0.74 3.82 -7.23 -0.51 -3.70 120.40 114.24 2uwt s VAL 75 Ca -0.09 -0.14 -0.14 0.00 -1.81 0.00 0.00 61.98 59.80 2uwt s VAL 75 Cb -0.16 -0.16 0.05 0.00 0.56 0.00 0.00 36.38 36.66 2uwt s VAL 75 CO 0.01 -0.08 1.16 -2.16 -0.31 0.00 0.00 175.10 173.72 2uwt s PRO 76 N -0.21 2.16 0.32 4.82 0.04 -1.26 -0.36 135.00 140.51 2uwt s PRO 76 Ca -0.03 1.57 -0.09 0.00 0.04 0.00 0.00 61.00 62.49 2uwt s PRO 76 Cb -0.02 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.68 2uwt s PRO 76 CO 0.00 -1.78 0.55 0.20 0.04 0.00 0.00 177.00 176.02 2uwt s GLY 77 N -2.41 0.92 0.01 0.56 0.00 -1.24 -4.77 107.32 100.38 2uwt s GLY 77 Ca 0.70 -1.13 -0.35 0.00 0.00 0.00 0.00 44.72 43.94 2uwt s GLY 77 CO 0.47 -0.71 1.70 -1.05 0.00 0.00 0.00 173.10 173.51 2uwt n PRO 78 N -0.50 1.98 -3.52 2.90 -0.02 -1.26 -4.93 135.00 129.65 2uwt n PRO 78 Ca -0.02 0.72 -0.37 0.00 -2.02 0.00 0.00 63.50 61.81 2uwt n PRO 78 Cb 0.61 -2.51 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 2uwt n PRO 78 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2uwt s GLU 79 N 2.48 4.16 -0.03 -0.52 0.41 -1.26 -5.08 118.70 118.86 2uwt s GLU 79 Ca 0.87 0.19 -0.24 0.00 -0.41 0.00 0.00 54.97 55.39 2uwt s GLU 79 Cb -0.74 -3.38 0.05 0.00 -1.78 0.00 0.00 34.13 28.28 2uwt s GLU 79 CO 0.47 0.33 0.51 -1.54 -0.49 0.00 0.00 175.26 174.55 2uwt s SER 80 N 0.15 -0.45 0.37 -0.19 1.04 -1.26 -5.05 113.70 108.32 2uwt s SER 80 Ca 0.19 0.42 0.08 0.00 0.48 0.00 0.00 55.95 57.12 2uwt s SER 80 Cb -0.14 0.44 0.73 0.00 0.10 0.00 0.00 66.02 67.15 2uwt s SER 80 CO 0.06 -0.54 1.90 -0.33 0.98 0.00 0.00 173.24 175.31 2uwt h GLU 81 N 3.37 0.32 -3.15 4.02 4.39 -2.02 -3.47 114.58 118.04 2uwt h GLU 81 Ca -0.28 -0.07 -0.37 0.00 0.34 0.00 0.00 59.36 58.98 2uwt h GLU 81 Cb 1.16 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 2uwt h GLU 81 CO 0.40 0.43 -0.46 -0.25 -1.16 0.00 0.00 179.01 177.96 2uwt n ASP 82 N -4.28 -5.28 -3.48 1.42 8.00 -1.26 -4.41 116.55 107.25 2uwt n ASP 82 Ca -0.00 0.07 -0.14 0.00 0.71 0.00 0.00 54.79 55.43 2uwt n ASP 82 Cb 0.26 -4.43 -0.04 0.00 -0.02 0.00 0.00 41.12 36.89 2uwt n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uwt s ARG 83 N -4.96 1.09 0.34 -1.24 1.70 -1.26 -4.94 118.95 109.68 2uwt s ARG 83 Ca 0.00 -0.08 -0.27 0.00 -0.47 0.00 0.00 55.73 54.90 2uwt s ARG 83 Cb 0.00 0.51 -0.09 0.00 -0.57 0.00 0.00 34.95 34.80 2uwt s ARG 83 CO 0.00 -0.41 1.15 -1.25 -1.08 0.00 0.00 175.30 173.70 2uwt s PRO 84 N -2.36 4.34 -0.42 3.89 0.04 -1.26 -5.03 135.00 134.22 2uwt s PRO 84 Ca -0.04 1.84 -0.00 0.00 0.04 0.00 0.00 61.00 62.83 2uwt s PRO 84 Cb -0.01 -2.92 0.11 0.00 0.04 0.00 0.00 34.50 31.73 2uwt s PRO 84 CO -0.01 -0.07 0.18 0.42 0.04 0.00 0.00 177.00 177.56 2uwt s ILE 85 N -1.31 2.97 -0.81 0.56 -1.09 -1.26 -5.02 121.20 115.24 2uwt s ILE 85 Ca 0.51 -2.31 -0.11 0.00 -2.23 0.00 0.00 60.65 56.50 2uwt s ILE 85 Cb -0.31 -3.07 -0.09 0.00 -1.58 0.00 0.00 42.46 37.41 2uwt s ILE 85 CO 0.40 -0.69 1.98 0.00 -1.23 0.00 0.00 174.94 175.41 2uwt n ALA 86 N 4.29 4.00 -2.41 9.38 0.00 -1.26 -4.85 120.51 129.65 2uwt n ALA 86 Ca 0.01 -2.37 -0.17 0.00 0.00 0.00 0.00 53.44 50.91 2uwt n ALA 86 Cb 0.41 -3.21 -0.11 0.00 0.00 0.00 0.00 19.45 16.54 2uwt n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2uwt s LEU 87 N 0.47 2.46 0.01 0.00 1.43 -1.26 -1.38 118.68 120.40 2uwt s LEU 87 Ca 0.44 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2uwt s LEU 87 Cb 0.11 -0.49 -0.01 0.00 0.03 0.00 0.00 46.19 45.83 2uwt s LEU 87 CO 0.02 -0.21 -0.02 0.00 0.23 0.00 0.00 176.35 176.38 2uwt s ALA 88 N -2.57 0.12 0.37 4.21 0.00 -0.13 -4.87 121.76 118.89 2uwt s ALA 88 Ca 0.12 -0.25 -0.23 0.00 0.00 0.00 0.00 51.96 51.60 2uwt s ALA 88 Cb -0.02 0.04 -0.14 0.00 0.00 0.00 0.00 23.12 22.99 2uwt s ALA 88 CO 0.03 -0.04 0.50 0.54 0.00 0.00 0.00 175.76 176.79 2uwt n ARG 89 N 2.52 0.46 -0.01 0.00 1.74 -1.26 -1.10 116.66 119.01 2uwt n ARG 89 Ca -0.16 0.16 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 2uwt n ARG 89 Cb 0.58 -1.37 0.03 0.00 -1.02 0.00 0.00 32.46 30.68 2uwt n ARG 89 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2uwt n THR 90 N -0.67 0.16 -4.04 0.55 -2.24 -1.21 -4.75 114.28 102.08 2uwt n THR 90 Ca 0.12 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 61.22 2uwt n THR 90 Cb 0.37 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.54 2uwt n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2uwt s ALA 91 N -0.57 0.35 -2.55 6.98 0.00 -1.26 -5.05 121.76 119.66 2uwt s ALA 91 Ca 0.08 -1.14 0.27 0.00 0.00 0.00 0.00 51.96 51.16 2uwt s ALA 91 Cb 0.05 0.96 0.92 0.00 0.00 0.00 0.00 23.12 25.06 2uwt s ALA 91 CO 0.07 -0.62 1.67 1.33 0.00 0.00 0.00 175.76 178.21 2uwt n VAL 92 N -0.21 0.01 -4.33 0.00 0.24 -1.26 -4.93 118.33 107.85 2uwt n VAL 92 Ca -0.05 -0.29 -0.17 0.00 -2.04 0.00 0.00 64.34 61.79 2uwt n VAL 92 Cb 0.63 0.62 -0.10 0.00 -1.47 0.00 0.00 33.84 33.52 2uwt n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2uwt s SER 93 N -1.98 1.40 0.60 -1.34 1.04 -1.26 -5.14 113.70 107.01 2uwt s SER 93 Ca 0.36 -1.35 -0.20 0.00 0.48 0.00 0.00 55.95 55.25 2uwt s SER 93 Cb 0.21 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 2uwt s SER 93 CO 0.33 -0.68 1.32 -1.61 0.98 0.00 0.00 173.24 173.58 2uwt s GLU 94 N -3.99 2.85 0.00 4.02 0.41 -1.26 -4.25 118.70 116.49 2uwt s GLU 94 Ca 0.36 2.14 0.00 0.00 -0.41 0.00 0.00 54.97 57.06 2uwt s GLU 94 Cb 0.08 -2.05 0.00 0.00 -1.78 0.00 0.00 34.13 30.38 2uwt s GLU 94 CO 0.13 -1.38 0.00 0.41 -0.49 0.00 0.00 175.26 173.92 2uwt n GLY 95 N 0.80 1.01 3.82 -1.39 0.00 -1.26 -5.08 105.19 103.08 2uwt n GLY 95 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2uwt n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2uwt s PHE 96 N -2.00 2.88 0.75 1.61 0.40 -1.26 -5.10 117.98 115.26 2uwt s PHE 96 Ca 0.00 -0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 55.91 2uwt s PHE 96 Cb 0.00 -1.70 0.05 0.00 0.51 0.00 0.00 43.02 41.88 2uwt s PHE 96 CO 0.00 0.27 1.12 -2.14 0.70 0.00 0.00 175.22 175.17 2uwt s PRO 97 N -3.94 2.25 -0.22 0.24 0.02 -1.26 -4.90 135.00 127.20 2uwt s PRO 97 Ca 0.39 1.37 -0.01 0.00 0.02 0.00 0.00 61.00 62.77 2uwt s PRO 97 Cb -0.05 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.60 2uwt s PRO 97 CO 0.25 -1.68 -0.11 -1.01 -0.33 0.00 0.00 177.00 174.13 2uwt s HIS 98 N -2.57 2.94 0.23 6.54 3.76 -1.26 -3.34 115.29 121.58 2uwt s HIS 98 Ca 0.65 -1.42 -0.30 0.00 -0.15 0.00 0.00 55.06 53.85 2uwt s HIS 98 Cb -0.20 -2.02 -0.09 0.00 1.11 0.00 0.00 32.58 31.38 2uwt s HIS 98 CO 0.50 -0.71 0.93 0.00 -0.85 0.00 0.00 174.74 174.62 2uwt s ALA 99 N 1.35 3.34 0.30 -1.40 0.00 -0.26 -4.69 121.76 120.41 2uwt s ALA 99 Ca 0.03 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 2uwt s ALA 99 Cb -0.15 -3.20 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 2uwt s ALA 99 CO -0.07 0.20 1.45 -2.30 0.00 0.00 0.00 175.76 175.04 2uwt n PRO 100 N 1.59 2.36 0.07 0.00 -0.02 -1.26 -0.95 135.00 136.78 2uwt n PRO 100 Ca -0.02 0.83 0.02 0.00 -2.02 0.00 0.00 63.50 62.31 2uwt n PRO 100 Cb 0.47 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 2uwt n PRO 100 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2uwt h THR 101 N 3.01 0.54 0.00 3.45 1.35 -1.56 -3.46 112.91 116.24 2uwt h THR 101 Ca -0.47 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.46 2uwt h THR 101 Cb 1.26 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 2uwt h THR 101 CO 0.72 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.91 2uwt n GLY 102 N 1.32 4.07 3.57 5.82 0.00 -1.26 -5.08 105.19 113.63 2uwt n GLY 102 Ca -0.05 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 2uwt n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2uwt s ASP 103 N 1.00 6.45 0.42 1.61 -1.08 -1.26 -4.96 116.67 118.85 2uwt s ASP 103 Ca 0.00 0.17 0.13 0.00 -0.52 0.00 0.00 52.55 52.34 2uwt s ASP 103 Cb 0.00 -2.35 0.89 0.00 -1.46 0.00 0.00 42.92 40.00 2uwt s ASP 103 CO 0.00 -0.65 1.93 1.55 0.52 0.00 0.00 175.17 178.53 2uwt h PRO 104 N 8.49 0.03 0.29 4.34 0.13 -1.94 0.54 132.00 143.88 2uwt h PRO 104 Ca -0.26 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 2uwt h PRO 104 Cb 1.10 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2uwt h PRO 104 CO 0.86 0.26 -0.14 0.52 -0.23 0.00 0.00 178.00 179.27 2uwt h MET 105 N 0.02 -0.38 -0.18 0.86 2.86 -1.93 -0.67 114.93 115.51 2uwt h MET 105 Ca 0.00 0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 2uwt h MET 105 Cb 0.43 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2uwt h MET 105 CO 0.03 -0.22 -0.36 0.87 1.06 0.00 0.00 176.91 178.29 2uwt h LYS 106 N -0.45 0.39 0.00 1.72 1.57 -1.87 -3.12 116.57 114.81 2uwt h LYS 106 Ca -0.04 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2uwt h LYS 106 Cb 0.34 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2uwt h LYS 106 CO 0.07 0.71 -0.15 -0.25 -0.57 0.00 0.00 179.45 179.26 2uwt n ASP 107 N -4.05 0.38 -2.40 0.86 8.00 0.15 -4.96 116.55 114.53 2uwt n ASP 107 Ca -0.01 0.36 -0.10 0.00 0.71 0.00 0.00 54.79 55.75 2uwt n ASP 107 Cb 0.47 -0.39 0.05 0.00 -0.02 0.00 0.00 41.12 41.23 2uwt n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2uwt n GLY 108 N 1.43 -0.04 3.50 0.44 0.00 -0.30 -4.75 105.19 105.47 2uwt n GLY 108 Ca 0.06 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 2uwt n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2uwt s VAL 109 N -3.21 0.78 0.00 1.61 -7.23 -0.95 -3.78 120.40 107.62 2uwt s VAL 109 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 2uwt s VAL 109 Cb -0.00 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.46 2uwt s VAL 109 CO 0.42 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.82 2uwt n GLY 110 N -0.85 2.45 0.00 2.32 0.00 -1.26 -1.50 105.19 106.35 2uwt n GLY 110 Ca -0.05 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.63 2uwt n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2uwt n PRO 111 N 12.21 0.02 -0.27 1.61 -0.04 -1.26 -1.58 135.00 145.69 2uwt n PRO 111 Ca 0.00 0.33 0.06 0.00 -0.04 0.00 0.00 63.50 63.85 2uwt n PRO 111 Cb 0.00 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.15 2uwt n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2uwt n ALA 112 N -1.47 2.59 -1.61 0.55 0.00 -0.56 -3.16 120.51 116.85 2uwt n ALA 112 Ca 0.02 -0.80 -0.35 0.00 0.00 0.00 0.00 53.44 52.32 2uwt n ALA 112 Cb 0.10 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 18.61 2uwt n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2uwt s SER 113 N -0.89 4.86 0.07 0.00 0.01 -0.62 -3.93 113.70 113.20 2uwt s SER 113 Ca 0.28 2.35 0.01 0.00 1.31 0.00 0.00 55.95 59.90 2uwt s SER 113 Cb 0.16 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 2uwt s SER 113 CO 0.17 -1.81 -0.05 -1.66 0.41 0.00 0.00 173.24 170.29 2uwt s TRP 114 N -1.78 0.72 0.06 2.43 1.48 -1.25 -4.30 118.94 116.30 2uwt s TRP 114 Ca 0.76 -0.90 0.04 0.00 -1.06 0.00 0.00 56.10 54.93 2uwt s TRP 114 Cb -0.29 -0.45 -0.04 0.00 -1.16 0.00 0.00 33.47 31.53 2uwt s TRP 114 CO 0.38 -0.22 -0.02 0.08 -4.06 0.00 0.00 176.95 173.11 2uwt s VAL 115 N -3.38 3.91 -1.26 -0.66 1.01 -1.26 -5.01 120.40 113.74 2uwt s VAL 115 Ca 0.07 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.99 2uwt s VAL 115 Cb 0.04 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2uwt s VAL 115 CO -0.06 0.22 2.25 0.00 0.00 0.00 0.00 175.10 177.51 2uwt n ALA 116 N 0.92 5.19 -1.35 5.51 0.00 -1.26 -4.84 120.51 124.67 2uwt n ALA 116 Ca -0.13 -3.54 -0.30 0.00 0.00 0.00 0.00 53.44 49.48 2uwt n ALA 116 Cb 0.52 -3.50 0.11 0.00 0.00 0.00 0.00 19.45 16.58 2uwt n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2uwt s ARG 117 N 3.54 1.85 0.17 0.00 0.52 -1.26 -4.95 118.95 118.82 2uwt s ARG 117 Ca 0.52 0.85 -0.33 0.00 -0.52 0.00 0.00 55.73 56.25 2uwt s ARG 117 Cb 0.14 -1.87 -0.15 0.00 0.52 0.00 0.00 34.95 33.59 2uwt s ARG 117 CO -0.03 -1.84 1.25 -2.13 0.02 0.00 0.00 175.30 172.58 2uwt n ARG 118 N -3.61 1.35 -1.25 3.54 0.63 -1.26 -4.10 116.66 111.96 2uwt n ARG 118 Ca 0.07 0.48 -0.20 0.00 -0.92 0.00 0.00 57.85 57.29 2uwt n ARG 118 Cb 0.55 -2.04 -0.10 0.00 0.45 0.00 0.00 32.46 31.31 2uwt n ARG 118 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2uwt n ASP 119 N 2.18 5.91 -4.22 6.15 2.03 -1.26 -1.70 116.55 125.64 2uwt n ASP 119 Ca 0.15 -2.87 -0.14 0.00 0.52 0.00 0.00 54.79 52.45 2uwt n ASP 119 Cb 0.25 -1.31 -0.10 0.00 -0.72 0.00 0.00 41.12 39.24 2uwt n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2uwt s LEU 120 N -1.19 2.50 0.45 -2.67 1.43 -1.26 -4.91 118.68 113.04 2uwt s LEU 120 Ca 0.61 -0.96 -0.22 0.00 -1.03 0.00 0.00 54.13 52.53 2uwt s LEU 120 Cb 0.35 -0.31 -0.09 0.00 0.03 0.00 0.00 46.19 46.16 2uwt s LEU 120 CO -0.12 -0.32 1.03 -2.84 0.23 0.00 0.00 176.35 174.33 2uwt s PRO 121 N -3.51 3.98 0.43 1.29 0.02 -1.26 -0.40 135.00 135.55 2uwt s PRO 121 Ca 0.13 1.37 -0.25 0.00 0.02 0.00 0.00 61.00 62.27 2uwt s PRO 121 Cb 0.01 -2.25 -0.08 0.00 0.02 0.00 0.00 34.50 32.21 2uwt s PRO 121 CO -0.00 -0.28 1.34 -2.00 -0.33 0.00 0.00 177.00 175.72 2uwt s GLU 122 N -2.99 3.81 0.10 5.54 2.12 -1.26 -4.85 118.70 121.16 2uwt s GLU 122 Ca 0.64 2.22 0.09 0.00 0.36 0.00 0.00 54.97 58.27 2uwt s GLU 122 Cb -0.17 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.51 2uwt s GLU 122 CO 0.21 -0.64 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.56 2uwt s LEU 123 N -2.63 2.50 0.00 2.70 1.43 -1.26 -1.09 118.68 120.32 2uwt s LEU 123 Ca 0.60 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 53.03 2uwt s LEU 123 Cb -0.39 -1.41 0.14 0.00 0.03 0.00 0.00 46.19 44.56 2uwt s LEU 123 CO 0.50 0.20 0.85 -0.90 0.23 0.00 0.00 176.35 177.23 2uwt n ASP 124 N 1.10 0.43 0.01 2.29 5.68 0.44 -4.76 116.55 121.75 2uwt n ASP 124 Ca -0.17 -1.53 0.07 0.00 -0.50 0.00 0.00 54.79 52.66 2uwt n ASP 124 Cb 0.53 -0.62 0.32 0.00 -1.14 0.00 0.00 41.12 40.21 2uwt n ASP 124 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2uwt n GLY 125 N -0.88 -1.01 0.02 6.12 0.00 -1.26 -1.18 105.19 107.00 2uwt n GLY 125 Ca 0.12 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.21 2uwt n GLY 125 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2uwt n HIS 126 N -1.57 0.00 -0.25 1.61 8.25 -1.26 -4.97 115.22 117.03 2uwt n HIS 126 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2uwt n HIS 126 Cb 0.17 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.24 2uwt n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uwt n GLY 127 N 1.50 0.87 3.93 -1.41 0.00 -0.33 -5.08 105.19 104.67 2uwt n GLY 127 Ca 0.04 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 2uwt n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2uwt s HIS 128 N -2.00 3.48 -0.07 1.61 3.76 -1.26 -4.79 115.29 116.02 2uwt s HIS 128 Ca 0.00 0.40 -0.35 0.00 -0.15 0.00 0.00 55.06 54.95 2uwt s HIS 128 Cb 0.00 -1.91 -0.13 0.00 1.11 0.00 0.00 32.58 31.65 2uwt s HIS 128 CO 0.00 0.28 1.78 0.09 -0.85 0.00 0.00 174.74 176.04 2uwt n ASN 129 N -0.97 3.09 -0.24 1.40 3.02 -1.26 -0.42 115.26 119.88 2uwt n ASN 129 Ca -0.04 1.02 -0.02 0.00 -0.03 0.00 0.00 54.58 55.51 2uwt n ASN 129 Cb 0.54 -1.33 0.18 0.00 -0.61 0.00 0.00 39.78 38.57 2uwt n ASN 129 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2uwt h LYS 130 N 8.04 1.05 -5.22 3.52 3.64 -1.41 -3.42 116.57 122.76 2uwt h LYS 130 Ca -0.47 -0.11 -0.67 0.00 -1.27 0.00 0.00 60.65 58.12 2uwt h LYS 130 Cb 1.28 -0.21 -0.33 0.00 -0.41 0.00 0.00 32.23 32.57 2uwt h LYS 130 CO 0.93 0.77 -0.85 0.42 -2.27 0.00 0.00 179.45 178.45 2uwt s ILE 131 N -5.70 2.25 0.04 2.00 1.01 -1.26 -1.36 121.20 118.17 2uwt s ILE 131 Ca -0.11 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.63 2uwt s ILE 131 Cb 0.17 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 2uwt s ILE 131 CO 0.80 0.54 -0.07 -0.54 0.00 0.00 0.00 174.94 175.67 2uwt s LYS 132 N 0.72 0.49 0.50 2.79 1.02 -0.45 -4.61 119.74 120.21 2uwt s LYS 132 Ca -0.09 -0.71 -0.23 0.00 0.02 0.00 0.00 55.97 54.97 2uwt s LYS 132 Cb -0.16 -0.25 -0.06 0.00 -0.52 0.00 0.00 37.83 36.84 2uwt s LYS 132 CO 0.01 0.04 1.32 -1.25 -0.92 0.00 0.00 175.35 174.55 2uwt s PRO 133 N -1.48 3.41 0.24 -1.68 0.04 -1.26 -0.73 135.00 133.54 2uwt s PRO 133 Ca -0.10 2.16 -0.04 0.00 0.04 0.00 0.00 61.00 63.06 2uwt s PRO 133 Cb -0.10 -2.39 0.28 0.00 0.04 0.00 0.00 34.50 32.33 2uwt s PRO 133 CO 0.00 -0.95 1.75 1.98 0.04 0.00 0.00 177.00 179.83 2uwt h MET 134 N 1.80 0.90 -0.57 4.56 4.05 -0.82 -1.71 114.93 123.14 2uwt h MET 134 Ca -0.50 -0.23 0.17 0.00 -0.28 0.00 0.00 59.70 58.85 2uwt h MET 134 Cb 1.28 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.95 2uwt h MET 134 CO 0.59 0.86 0.59 1.57 0.23 0.00 0.00 176.91 180.74 2uwt h LYS 135 N 0.85 0.00 -0.25 0.39 2.10 -1.90 0.29 116.57 118.04 2uwt h LYS 135 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2uwt h LYS 135 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2uwt h LYS 135 CO 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.46 2uwt n ALA 136 N -2.37 2.35 -3.10 0.07 0.00 -0.66 -4.86 120.51 111.94 2uwt n ALA 136 Ca 0.11 -0.91 -0.40 0.00 0.00 0.00 0.00 53.44 52.24 2uwt n ALA 136 Cb 0.80 -0.55 -0.11 0.00 0.00 0.00 0.00 19.45 19.59 2uwt n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uwt s ALA 137 N -1.13 3.26 0.06 0.00 0.00 0.10 -4.96 121.76 119.10 2uwt s ALA 137 Ca 0.25 -1.95 -0.30 0.00 0.00 0.00 0.00 51.96 49.96 2uwt s ALA 137 Cb 0.15 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.62 2uwt s ALA 137 CO 0.20 -1.53 1.03 0.00 0.00 0.00 0.00 175.76 175.47 2uwt s ALA 138 N 1.47 3.25 -0.60 0.00 0.00 -1.26 -1.19 121.76 123.44 2uwt s ALA 138 Ca 0.02 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.64 2uwt s ALA 138 Cb -0.21 -3.35 0.15 0.00 0.00 0.00 0.00 23.12 19.71 2uwt s ALA 138 CO 0.04 -0.21 0.37 0.20 0.00 0.00 0.00 175.76 176.16 2uwt s GLY 139 N 0.60 2.57 0.06 0.00 0.00 -1.26 -5.09 107.32 104.21 2uwt s GLY 139 Ca 0.52 -3.39 -0.11 0.00 0.00 0.00 0.00 44.72 41.73 2uwt s GLY 139 CO 0.30 1.05 0.41 -1.36 0.00 0.00 0.00 173.10 173.50 2uwt s PHE 140 N -0.47 3.61 0.09 1.90 0.40 -0.33 -5.09 117.98 118.09 2uwt s PHE 140 Ca 0.19 0.84 -0.19 0.00 -0.60 0.00 0.00 56.93 57.16 2uwt s PHE 140 Cb -0.20 -2.19 0.04 0.00 0.51 0.00 0.00 43.02 41.18 2uwt s PHE 140 CO -0.04 0.54 0.47 -3.38 0.70 0.00 0.00 175.22 173.51 2uwt s HIS 141 N -1.33 -0.33 0.13 0.36 -3.43 -1.26 -4.89 115.29 104.53 2uwt s HIS 141 Ca 0.31 0.20 -0.34 0.00 -0.80 0.00 0.00 55.06 54.43 2uwt s HIS 141 Cb -0.14 0.31 -0.14 0.00 -1.43 0.00 0.00 32.58 31.18 2uwt s HIS 141 CO 0.17 -0.67 1.60 0.28 -2.00 0.00 0.00 174.74 174.12 2uwt n VAL 142 N 0.12 0.07 0.29 -5.38 0.31 -1.26 -4.91 118.33 107.56 2uwt n VAL 142 Ca -0.17 -0.01 0.03 0.00 -0.01 0.00 0.00 64.34 64.17 2uwt n VAL 142 Cb 0.62 -1.53 -0.02 0.00 -0.91 0.00 0.00 33.84 32.00 2uwt n VAL 142 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2uwt n SER 143 N 3.73 0.58 -3.61 4.52 3.41 -1.26 -5.06 113.62 115.95 2uwt n SER 143 Ca 0.18 -0.79 -0.06 0.00 -0.26 0.00 0.00 58.87 57.94 2uwt n SER 143 Cb 0.28 0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 64.96 2uwt n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2uwt s ALA 144 N -1.34 -2.04 0.00 7.33 0.00 -1.26 -5.16 121.76 119.29 2uwt s ALA 144 Ca 0.04 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2uwt s ALA 144 Cb 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2uwt s ALA 144 CO 0.21 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2uwt n GLY 145 N 0.49 -0.99 3.72 0.00 0.00 -1.26 -4.87 105.19 102.28 2uwt n GLY 145 Ca -0.04 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 2uwt n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2uwt s LYS 146 N -2.22 4.20 -0.24 1.61 2.47 -1.26 -4.96 119.74 119.34 2uwt s LYS 146 Ca 0.00 2.39 -0.29 0.00 -1.56 0.00 0.00 55.97 56.51 2uwt s LYS 146 Cb 0.00 -3.16 -0.00 0.00 -1.46 0.00 0.00 37.83 33.21 2uwt s LYS 146 CO 0.00 -0.63 1.26 1.21 0.16 0.00 0.00 175.35 177.35 2uwt s ASN 147 N 1.19 6.82 0.24 1.43 3.84 -1.26 -4.91 114.94 122.30 2uwt s ASN 147 Ca 0.71 1.41 0.26 0.00 0.21 0.00 0.00 52.86 55.44 2uwt s ASN 147 Cb -0.44 -2.54 0.81 0.00 -0.55 0.00 0.00 41.25 38.53 2uwt s ASN 147 CO 0.31 -0.91 1.76 1.55 -2.79 0.00 0.00 177.10 177.02 2uwt h PRO 148 N 8.67 0.00 -6.39 0.43 0.13 -1.96 -3.46 132.00 129.42 2uwt h PRO 148 Ca -0.25 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.34 2uwt h PRO 148 Cb 1.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.24 2uwt h PRO 148 CO 1.00 0.00 1.04 0.42 -0.23 0.00 0.00 178.00 180.23 2uwt s ILE 149 N -3.15 3.18 0.00 -3.56 1.01 -1.26 -1.29 121.20 116.13 2uwt s ILE 149 Ca 0.09 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.25 2uwt s ILE 149 Cb 0.11 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.26 2uwt s ILE 149 CO 0.57 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2uwt n GLY 150 N 4.07 2.47 3.76 6.18 0.00 0.44 -5.00 105.19 117.11 2uwt n GLY 150 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2uwt n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uwt s LEU 151 N 0.00 4.43 0.61 0.99 1.43 -0.41 -4.67 118.68 121.06 2uwt s LEU 151 Ca 0.00 2.34 -0.18 0.00 -1.03 0.00 0.00 54.13 55.27 2uwt s LEU 151 Cb 0.00 -3.75 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 2uwt s LEU 151 CO 0.00 -0.34 1.17 -2.16 0.23 0.00 0.00 176.35 175.25 2uwt s PRO 152 N -1.75 2.91 -0.15 1.29 0.04 -1.26 -1.04 135.00 135.04 2uwt s PRO 152 Ca 0.49 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.20 2uwt s PRO 152 Cb -0.32 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2uwt s PRO 152 CO 0.42 -1.22 -0.17 0.08 0.04 0.00 0.00 177.00 176.15 2uwt s VAL 153 N -1.86 2.52 -0.02 -0.36 1.01 0.13 -1.11 120.40 120.71 2uwt s VAL 153 Ca 0.73 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.95 2uwt s VAL 153 Cb -0.26 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2uwt s VAL 153 CO 0.35 0.53 -0.19 -0.60 0.00 0.00 0.00 175.10 175.18 2uwt s ARG 154 N 0.76 2.27 0.52 2.72 3.52 0.12 0.43 118.95 129.27 2uwt s ARG 154 Ca -0.07 -0.84 0.08 0.00 -0.13 0.00 0.00 55.73 54.78 2uwt s ARG 154 Cb -0.16 -2.21 0.05 0.00 -1.56 0.00 0.00 34.95 31.07 2uwt s ARG 154 CO 0.00 0.58 0.64 0.20 -0.81 0.00 0.00 175.30 175.92 2uwt s GLY 155 N -0.83 1.91 0.00 8.12 0.00 -0.62 -0.45 107.32 115.45 2uwt s GLY 155 Ca 0.12 -1.88 0.09 0.00 0.00 0.00 0.00 44.72 43.05 2uwt s GLY 155 CO 0.01 -1.68 1.24 0.00 0.00 0.00 0.00 173.10 172.67 2uwt n ASP 157 N -1.38 1.23 -0.75 0.00 5.75 -1.25 -4.54 116.55 115.61 2uwt n ASP 157 Ca 0.04 -1.53 -0.10 0.00 -0.01 0.00 0.00 54.79 53.19 2uwt n ASP 157 Cb 0.09 -0.05 -0.04 0.00 -1.03 0.00 0.00 41.12 40.09 2uwt n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2uwt n LEU 158 N -0.00 -0.55 -4.92 -2.12 4.77 0.16 -5.00 117.00 109.34 2uwt n LEU 158 Ca 0.18 0.24 -0.29 0.00 -0.03 0.00 0.00 56.01 56.11 2uwt n LEU 158 Cb 0.28 -1.92 -0.04 0.00 -2.33 0.00 0.00 43.42 39.41 2uwt n LEU 158 CO 0.14 -0.67 -0.06 -1.61 -1.33 0.00 0.00 177.39 173.86 2uwt s GLU 159 N -2.63 3.49 -0.02 3.23 0.41 -1.26 -4.91 118.70 117.02 2uwt s GLU 159 Ca 0.00 -0.39 -0.30 0.00 -0.41 0.00 0.00 54.97 53.87 2uwt s GLU 159 Cb 0.00 -2.94 -0.03 0.00 -1.78 0.00 0.00 34.13 29.38 2uwt s GLU 159 CO 0.00 0.51 1.01 0.42 -0.49 0.00 0.00 175.26 176.72 2uwt s ILE 160 N -1.67 4.76 -0.16 -1.63 -1.09 -1.26 -1.60 121.20 118.55 2uwt s ILE 160 Ca 0.37 1.99 0.19 0.00 -2.23 0.00 0.00 60.65 60.97 2uwt s ILE 160 Cb -0.12 -4.28 -0.29 0.00 -1.58 0.00 0.00 42.46 36.20 2uwt s ILE 160 CO 0.28 0.12 0.49 0.00 -1.23 0.00 0.00 174.94 174.59 2uwt n ALA 161 N 4.17 2.99 0.00 9.38 0.00 0.17 -4.95 120.51 132.27 2uwt n ALA 161 Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2uwt n ALA 161 Cb 0.50 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2uwt n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uwt n GLY 162 N 1.40 -0.54 3.05 0.00 0.00 -1.19 -4.32 105.19 103.58 2uwt n GLY 162 Ca -0.02 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 2uwt n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uwt s LYS 163 N -1.40 0.40 -0.01 1.61 -2.85 -0.77 0.19 119.74 116.91 2uwt s LYS 163 Ca 0.00 -0.49 -0.30 0.00 -1.00 0.00 0.00 55.97 54.18 2uwt s LYS 163 Cb 0.00 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.89 2uwt s LYS 163 CO 0.00 -0.08 1.10 0.08 0.10 0.00 0.00 175.35 176.54 2uwt s VAL 164 N -1.40 4.47 -0.18 1.79 1.01 -0.21 -0.51 120.40 125.39 2uwt s VAL 164 Ca -0.15 1.78 0.04 0.00 0.00 0.00 0.00 61.98 63.65 2uwt s VAL 164 Cb -0.09 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 2uwt s VAL 164 CO 0.00 0.09 0.17 1.33 0.00 0.00 0.00 175.10 176.69 2uwt n VAL 165 N 4.17 0.00 -3.80 2.92 0.24 0.20 -0.42 118.33 121.63 2uwt n VAL 165 Ca 0.08 -0.35 -0.02 0.00 -2.04 0.00 0.00 64.34 62.01 2uwt n VAL 165 Cb 0.48 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 2uwt n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2uwt s ASP 166 N -1.60 -0.07 -0.05 -1.34 -1.08 -1.15 -4.92 116.67 106.46 2uwt s ASP 166 Ca 0.01 -0.48 0.06 0.00 -0.52 0.00 0.00 52.55 51.62 2uwt s ASP 166 Cb 0.03 0.43 -0.02 0.00 -1.46 0.00 0.00 42.92 41.91 2uwt s ASP 166 CO 0.18 -0.83 -0.23 -0.63 0.52 0.00 0.00 175.17 174.18 2uwt s ILE 167 N -2.62 2.29 -0.22 4.11 1.01 -1.26 -1.36 121.20 123.14 2uwt s ILE 167 Ca 0.17 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 2uwt s ILE 167 Cb -0.01 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 2uwt s ILE 167 CO 0.03 0.57 0.14 0.26 0.00 0.00 0.00 174.94 175.94 2uwt s TRP 168 N -0.31 3.34 0.20 3.97 0.52 0.84 -0.03 118.94 127.46 2uwt s TRP 168 Ca 0.01 0.24 0.11 0.00 0.02 0.00 0.00 56.10 56.48 2uwt s TRP 168 Cb -0.13 -2.22 -0.04 0.00 -1.15 0.00 0.00 33.47 29.93 2uwt s TRP 168 CO 0.02 0.14 -0.22 0.14 0.02 0.00 0.00 176.95 177.05 2uwt s VAL 169 N 0.80 2.27 -0.40 4.03 -7.23 0.09 0.09 120.40 120.05 2uwt s VAL 169 Ca 0.07 -2.08 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 2uwt s VAL 169 Cb -0.13 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 34.72 2uwt s VAL 169 CO 0.02 -0.20 0.44 -0.62 -0.31 0.00 0.00 175.10 174.43 2uwt s ASP 170 N -2.82 6.21 0.03 4.85 -1.08 0.07 -1.34 116.67 122.59 2uwt s ASP 170 Ca 0.21 -0.48 -0.28 0.00 -0.52 0.00 0.00 52.55 51.48 2uwt s ASP 170 Cb -0.07 -2.23 -0.17 0.00 -1.46 0.00 0.00 42.92 39.00 2uwt s ASP 170 CO 0.10 -0.52 1.29 0.40 0.52 0.00 0.00 175.17 176.96 2uwt h ILE 171 N 5.68 0.32 -0.01 4.11 5.03 -1.53 0.33 117.51 131.44 2uwt h ILE 171 Ca -0.27 -0.31 -0.03 0.00 -0.12 0.00 0.00 64.86 64.12 2uwt h ILE 171 Cb 1.12 0.42 -0.01 0.00 -3.03 0.00 0.00 36.82 35.32 2uwt h ILE 171 CO 0.77 0.04 -0.15 1.55 -0.68 0.00 0.00 178.15 179.68 2uwt h PRO 172 N -1.00 0.01 -0.03 2.37 0.13 -1.94 -2.77 132.00 128.77 2uwt h PRO 172 Ca -0.08 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2uwt h PRO 172 Cb 0.65 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2uwt h PRO 172 CO 0.13 0.17 0.00 0.39 -0.23 0.00 0.00 178.00 178.46 2uwt n GLU 173 N -4.35 1.62 -3.78 0.86 1.02 -1.19 -5.01 120.64 109.81 2uwt n GLU 173 Ca -0.02 -1.63 -0.32 0.00 -0.02 0.00 0.00 57.16 55.16 2uwt n GLU 173 Cb 0.22 -1.36 0.02 0.00 -0.02 0.00 0.00 31.44 30.31 2uwt n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2uwt n GLN 174 N 1.06 -0.99 -3.91 3.49 6.02 0.11 -4.98 117.38 118.18 2uwt n GLN 174 Ca 0.11 0.49 -0.09 0.00 -0.01 0.00 0.00 57.00 57.50 2uwt n GLN 174 Cb 0.47 -3.29 -0.09 0.00 1.02 0.00 0.00 30.24 28.35 2uwt n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2uwt s MET 175 N -5.94 0.64 -0.01 -1.09 0.23 -1.16 -4.96 119.30 107.01 2uwt s MET 175 Ca 0.33 -0.78 -0.30 0.00 -1.03 0.00 0.00 55.69 53.90 2uwt s MET 175 Cb -0.15 0.26 -0.03 0.00 -1.53 0.00 0.00 34.83 33.38 2uwt s MET 175 CO 0.90 -0.17 1.04 0.00 -2.03 0.00 0.00 175.02 174.75 2uwt s ALA 176 N -2.84 3.26 -0.10 3.16 0.00 -1.26 -0.75 121.76 123.22 2uwt s ALA 176 Ca -0.03 0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.50 2uwt s ALA 176 Cb 0.00 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 2uwt s ALA 176 CO -0.06 -0.35 -0.10 0.54 0.00 0.00 0.00 175.76 175.79 2uwt n ARG 177 N 4.15 0.24 -4.10 0.00 5.12 0.11 -4.83 116.66 117.36 2uwt n ARG 177 Ca 0.07 0.06 -0.09 0.00 -1.93 0.00 0.00 57.85 55.96 2uwt n ARG 177 Cb 0.50 -1.14 -0.10 0.00 -1.16 0.00 0.00 32.46 30.55 2uwt n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2uwt s PHE 178 N -2.20 0.64 -0.20 -1.55 0.40 -0.85 -1.30 117.98 112.93 2uwt s PHE 178 Ca -0.13 -0.85 -0.10 0.00 -0.60 0.00 0.00 56.93 55.25 2uwt s PHE 178 Cb 0.04 -0.41 -0.05 0.00 0.51 0.00 0.00 43.02 43.11 2uwt s PHE 178 CO 0.22 -0.23 0.13 -0.51 0.70 0.00 0.00 175.22 175.53 2uwt s LEU 179 N -2.55 4.15 -0.21 -0.37 1.43 -0.03 -0.12 118.68 120.99 2uwt s LEU 179 Ca 0.03 0.20 -0.23 0.00 -1.03 0.00 0.00 54.13 53.09 2uwt s LEU 179 Cb 0.02 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 2uwt s LEU 179 CO -0.05 0.17 0.76 -0.70 0.23 0.00 0.00 176.35 176.75 2uwt s GLU 180 N 0.44 4.22 -0.10 1.70 2.12 -0.47 -0.66 118.70 125.95 2uwt s GLU 180 Ca 0.07 0.84 0.02 0.00 0.36 0.00 0.00 54.97 56.27 2uwt s GLU 180 Cb -0.11 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.66 2uwt s GLU 180 CO -0.01 -0.38 -0.18 0.08 -0.54 0.00 0.00 175.26 174.24 2uwt s VAL 181 N 2.35 2.68 -0.12 3.70 1.01 0.83 -0.63 120.40 130.23 2uwt s VAL 181 Ca 0.33 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 2uwt s VAL 181 Cb -0.16 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 2uwt s VAL 181 CO 0.10 0.55 0.28 -0.70 0.00 0.00 0.00 175.10 175.33 2uwt s GLU 182 N 0.09 4.01 0.48 2.72 2.12 0.34 -0.24 118.70 128.22 2uwt s GLU 182 Ca -0.08 0.12 0.06 0.00 0.36 0.00 0.00 54.97 55.43 2uwt s GLU 182 Cb -0.15 -3.33 0.03 0.00 0.26 0.00 0.00 34.13 30.94 2uwt s GLU 182 CO 0.05 0.46 0.67 -0.51 -0.54 0.00 0.00 175.26 175.39 2uwt s LEU 183 N -0.20 3.47 0.57 2.70 1.43 0.48 -1.85 118.68 125.27 2uwt s LEU 183 Ca 0.18 -0.36 0.31 0.00 -1.03 0.00 0.00 54.13 53.22 2uwt s LEU 183 Cb -0.14 -2.57 1.44 0.00 0.03 0.00 0.00 46.19 44.95 2uwt s LEU 183 CO 0.06 -0.97 1.82 0.11 0.23 0.00 0.00 176.35 177.59 2uwt h LYS 184 N 0.39 0.00 -0.02 1.70 1.57 -1.87 0.08 116.57 118.42 2uwt h LYS 184 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2uwt h LYS 184 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2uwt h LYS 184 CO 0.46 0.00 -0.03 -0.40 -0.57 0.00 0.00 179.45 178.91 2uwt n ASP 185 N -3.87 2.28 0.00 0.86 5.75 -1.26 -4.95 116.55 115.36 2uwt n ASP 185 Ca 0.15 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 2uwt n ASP 185 Cb 0.93 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 41.05 2uwt n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2uwt n GLY 186 N 1.28 0.97 3.90 6.12 0.00 0.02 -5.06 105.19 112.42 2uwt n GLY 186 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2uwt n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uwt s SER 187 N -2.29 5.50 0.34 1.61 1.04 -1.26 -4.78 113.70 113.86 2uwt s SER 187 Ca 0.00 0.95 0.09 0.00 0.48 0.00 0.00 55.95 57.47 2uwt s SER 187 Cb 0.00 -1.83 -0.05 0.00 0.10 0.00 0.00 66.02 64.24 2uwt s SER 187 CO 0.00 -1.23 0.02 0.42 0.98 0.00 0.00 173.24 173.43 2uwt s THR 188 N -3.21 2.60 0.07 2.02 -4.23 -1.26 -0.39 115.64 111.25 2uwt s THR 188 Ca 0.56 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 2uwt s THR 188 Cb -0.11 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 2uwt s THR 188 CO 0.49 -0.19 -0.08 -0.13 -0.54 0.00 0.00 174.62 174.17 2uwt s ARG 189 N -3.72 0.69 -0.12 3.99 1.81 0.66 -4.88 118.95 117.39 2uwt s ARG 189 Ca 0.35 -1.04 -0.18 0.00 -1.72 0.00 0.00 55.73 53.14 2uwt s ARG 189 Cb 0.00 -0.29 -0.04 0.00 -0.45 0.00 0.00 34.95 34.17 2uwt s ARG 189 CO 0.19 0.03 0.47 -0.51 -0.68 0.00 0.00 175.30 174.81 2uwt s LEU 190 N -2.26 4.28 -0.15 2.53 1.43 -1.26 -0.12 118.68 123.13 2uwt s LEU 190 Ca 0.01 0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 53.91 2uwt s LEU 190 Cb -0.03 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 2uwt s LEU 190 CO -0.02 0.01 -0.10 -0.76 0.23 0.00 0.00 176.35 175.71 2uwt s LEU 191 N 0.59 2.83 0.29 1.79 2.01 0.16 -4.97 118.68 121.39 2uwt s LEU 191 Ca 0.26 -0.31 -0.30 0.00 0.01 0.00 0.00 54.13 53.79 2uwt s LEU 191 Cb -0.15 -1.66 -0.12 0.00 0.01 0.00 0.00 46.19 44.27 2uwt s LEU 191 CO 0.10 0.13 1.47 -2.65 1.01 0.00 0.00 176.35 176.41 2uwt n PRO 192 N 3.74 2.37 -0.31 1.29 -0.02 -1.26 -0.85 135.00 139.96 2uwt n PRO 192 Ca -0.18 0.84 0.01 0.00 -2.02 0.00 0.00 63.50 62.15 2uwt n PRO 192 Cb 0.52 -2.54 0.14 0.00 -0.02 0.00 0.00 33.50 31.61 2uwt n PRO 192 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2uwt h MET 193 N 4.01 0.95 0.00 -0.52 4.05 -1.51 -1.04 114.93 120.87 2uwt h MET 193 Ca -0.47 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.90 2uwt h MET 193 Cb 1.25 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 2uwt h MET 193 CO 0.74 0.63 0.00 1.04 0.23 0.00 0.00 176.91 179.55 2uwt n GLN 194 N -4.61 0.22 -0.07 0.39 3.00 -1.26 -2.57 117.38 112.47 2uwt n GLN 194 Ca 0.13 0.06 0.04 0.00 -0.01 0.00 0.00 57.00 57.21 2uwt n GLN 194 Cb 0.18 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 28.98 2uwt n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2uwt n MET 195 N -1.08 1.77 -4.32 -1.09 2.81 -0.40 -5.00 117.12 109.82 2uwt n MET 195 Ca 0.06 -1.78 -0.24 0.00 -1.81 0.00 0.00 57.70 53.92 2uwt n MET 195 Cb 0.04 -1.10 -0.12 0.00 -0.71 0.00 0.00 33.22 31.32 2uwt n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2uwt s VAL 196 N -1.55 1.87 -0.32 2.03 -7.23 -1.06 -4.47 120.40 109.67 2uwt s VAL 196 Ca 0.13 -1.72 -0.01 0.00 -1.81 0.00 0.00 61.98 58.57 2uwt s VAL 196 Cb 0.11 -1.74 0.07 0.00 0.56 0.00 0.00 36.38 35.37 2uwt s VAL 196 CO 0.01 -0.11 0.03 -0.75 -0.31 0.00 0.00 175.10 173.97 2uwt s LYS 197 N -2.23 2.22 -0.24 4.82 2.47 0.60 -4.97 119.74 122.41 2uwt s LYS 197 Ca 0.11 -1.45 -0.29 0.00 -1.56 0.00 0.00 55.97 52.78 2uwt s LYS 197 Cb -0.09 -3.22 -0.01 0.00 -1.46 0.00 0.00 37.83 33.06 2uwt s LYS 197 CO 0.06 -0.73 1.29 0.08 0.16 0.00 0.00 175.35 176.21 2uwt s VAL 198 N 1.17 4.19 0.46 4.02 1.01 -1.26 0.08 120.40 130.07 2uwt s VAL 198 Ca -0.01 1.39 0.05 0.00 0.00 0.00 0.00 61.98 63.40 2uwt s VAL 198 Cb -0.20 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2uwt s VAL 198 CO -0.03 -0.32 0.09 -1.10 0.00 0.00 0.00 175.10 173.74 2uwt s GLN 199 N 3.89 2.13 0.29 2.72 -0.21 0.45 -5.00 119.66 123.94 2uwt s GLN 199 Ca 0.56 -2.15 0.03 0.00 0.02 0.00 0.00 55.36 53.81 2uwt s GLN 199 Cb -0.19 -1.72 0.44 0.00 1.00 0.00 0.00 33.01 32.54 2uwt s GLN 199 CO 0.19 -0.24 1.75 0.66 -2.12 0.00 0.00 175.29 175.54 2uwt h SER 200 N 1.43 0.50 -0.11 5.90 4.64 -2.01 -3.20 113.55 120.70 2uwt h SER 200 Ca -0.43 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 2uwt h SER 200 Cb 1.28 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2uwt h SER 200 CO 0.74 0.70 0.00 -0.46 -0.87 0.00 0.00 176.83 176.94 2uwt n ASN 201 N -4.16 2.10 -3.57 4.97 6.94 -1.26 -5.06 115.26 115.23 2uwt n ASN 201 Ca 0.00 -1.61 -0.07 0.00 -0.02 0.00 0.00 54.58 52.88 2uwt n ASN 201 Cb 0.37 -0.07 -0.02 0.00 -2.36 0.00 0.00 39.78 37.70 2uwt n ASN 201 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2uwt s ARG 202 N -0.82 0.99 -0.20 -3.83 1.70 -1.21 -4.51 118.95 111.06 2uwt s ARG 202 Ca 0.13 -0.43 -0.07 0.00 -0.47 0.00 0.00 55.73 54.89 2uwt s ARG 202 Cb 0.08 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 2uwt s ARG 202 CO 0.11 -0.44 0.06 0.08 -1.08 0.00 0.00 175.30 174.04 2uwt s VAL 203 N -3.25 4.64 -0.15 4.99 1.01 -0.26 -0.41 120.40 126.97 2uwt s VAL 203 Ca 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 2uwt s VAL 203 Cb -0.01 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2uwt s VAL 203 CO -0.06 0.42 0.01 -2.28 0.00 0.00 0.00 175.10 173.19 2uwt s HIS 204 N 0.77 3.15 -0.32 5.22 2.46 0.11 -0.71 115.29 125.97 2uwt s HIS 204 Ca 0.03 -0.02 0.03 0.00 0.47 0.00 0.00 55.06 55.57 2uwt s HIS 204 Cb -0.13 -1.96 0.09 0.00 -0.13 0.00 0.00 32.58 30.44 2uwt s HIS 204 CO 0.02 0.18 0.02 0.08 -2.47 0.00 0.00 174.74 172.56 2uwt s VAL 205 N 0.03 2.33 0.22 0.89 1.01 0.40 -0.29 120.40 124.99 2uwt s VAL 205 Ca 0.03 -2.13 0.04 0.00 0.00 0.00 0.00 61.98 59.92 2uwt s VAL 205 Cb -0.13 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 33.57 2uwt s VAL 205 CO 0.02 -0.45 1.52 -1.13 0.00 0.00 0.00 175.10 175.06 2uwt h ASN 206 N 7.68 0.27 -0.11 3.32 -1.24 -1.84 -2.40 115.58 121.26 2uwt h ASN 206 Ca -0.09 -0.17 -0.01 0.00 0.71 0.00 0.00 56.30 56.75 2uwt h ASN 206 Cb 1.03 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.99 2uwt h ASN 206 CO 0.51 0.86 0.06 0.00 -1.29 0.00 0.00 177.43 177.57 2uwt h ALA 207 N 1.14 1.83 -3.93 1.57 0.00 -1.87 -3.39 119.26 114.61 2uwt h ALA 207 Ca -0.01 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 54.32 2uwt h ALA 207 Cb 1.20 -0.06 -0.31 0.00 0.00 0.00 0.00 17.79 18.62 2uwt h ALA 207 CO 0.10 0.14 -0.83 -0.51 0.00 0.00 0.00 179.25 178.16 2uwt s LEU 208 N -9.14 1.90 0.73 0.00 1.43 -1.24 -3.58 118.68 108.79 2uwt s LEU 208 Ca -0.06 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.62 2uwt s LEU 208 Cb 0.17 -0.87 0.03 0.00 0.03 0.00 0.00 46.19 45.55 2uwt s LEU 208 CO 0.70 0.14 1.08 -0.94 0.23 0.00 0.00 176.35 177.56 2uwt s SER 209 N 0.02 5.15 0.30 2.29 1.04 -1.26 -0.69 113.70 120.54 2uwt s SER 209 Ca -0.02 1.38 -0.02 0.00 0.48 0.00 0.00 55.95 57.77 2uwt s SER 209 Cb -0.10 -2.21 0.46 0.00 0.10 0.00 0.00 66.02 64.27 2uwt s SER 209 CO 0.01 -1.56 1.96 0.77 0.98 0.00 0.00 173.24 175.40 2uwt h SER 210 N -0.80 0.92 0.48 7.02 4.64 -1.87 -2.14 113.55 121.80 2uwt h SER 210 Ca -0.45 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2uwt h SER 210 Cb 1.24 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2uwt h SER 210 CO 0.60 0.68 0.00 -0.90 -0.87 0.00 0.00 176.83 176.34 2uwt n ASP 211 N -4.40 0.34 -0.40 4.97 5.75 -1.26 -2.49 116.55 119.06 2uwt n ASP 211 Ca 0.08 0.60 0.13 0.00 -0.01 0.00 0.00 54.79 55.59 2uwt n ASP 211 Cb 0.04 -0.67 0.35 0.00 -1.03 0.00 0.00 41.12 39.82 2uwt n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2uwt n LEU 212 N -1.89 1.44 -0.11 -2.12 4.77 -0.80 -4.28 117.00 114.00 2uwt n LEU 212 Ca 0.02 -0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 55.42 2uwt n LEU 212 Cb 0.16 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2uwt n LEU 212 CO 0.14 0.26 0.56 -0.26 -1.33 0.00 0.00 177.39 176.76 2uwt h PHE 213 N 1.96 1.03 -0.82 -1.77 -1.00 -1.60 -2.96 116.94 111.78 2uwt h PHE 213 Ca 0.00 -0.31 0.10 0.00 2.81 0.00 0.00 57.97 60.57 2uwt h PHE 213 Cb 0.57 -0.22 -0.06 0.00 3.61 0.00 0.00 35.95 39.86 2uwt h PHE 213 CO 0.00 1.11 0.54 0.00 -1.61 0.00 0.00 178.31 178.34 2uwt h ALA 214 N 0.75 1.74 0.00 2.45 0.00 -1.80 -1.70 119.26 120.70 2uwt h ALA 214 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2uwt h ALA 214 Cb 0.93 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2uwt h ALA 214 CO 0.09 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.84 2uwt n GLY 215 N -1.44 -1.11 3.66 0.00 0.00 -1.12 -4.81 105.19 100.37 2uwt n GLY 215 Ca 0.14 -0.06 -0.49 0.00 0.00 0.00 0.00 46.02 45.61 2uwt n GLY 215 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2uwt n ILE 216 N -1.49 0.17 -1.58 -0.61 5.41 -0.64 -4.89 119.36 115.73 2uwt n ILE 216 Ca 0.05 -0.03 -0.52 0.00 1.00 0.00 0.00 62.75 63.25 2uwt n ILE 216 Cb 0.21 -1.47 -0.06 0.00 -0.71 0.00 0.00 39.64 37.61 2uwt n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2uwt n PRO 217 N 4.20 1.09 -2.81 0.38 -0.02 -1.26 -4.96 135.00 131.61 2uwt n PRO 217 Ca 0.19 0.39 -0.26 0.00 -2.02 0.00 0.00 63.50 61.81 2uwt n PRO 217 Cb 0.26 -2.01 0.01 0.00 -0.02 0.00 0.00 33.50 31.74 2uwt n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2uwt s THR 218 N 0.38 4.54 0.18 3.45 -4.23 -1.26 -4.78 115.64 113.92 2uwt s THR 218 Ca 0.83 -0.11 0.04 0.00 -1.18 0.00 0.00 61.69 61.27 2uwt s THR 218 Cb -0.96 -3.71 -0.03 0.00 1.34 0.00 0.00 72.50 69.13 2uwt s THR 218 CO 0.48 -0.62 0.26 0.27 -0.54 0.00 0.00 174.62 174.47 2uwt s ILE 219 N -2.66 5.06 -0.07 2.99 -4.36 -1.26 -5.04 121.20 115.85 2uwt s ILE 219 Ca 0.47 -0.88 0.08 0.00 -0.26 0.00 0.00 60.65 60.06 2uwt s ILE 219 Cb -0.10 -3.64 -0.24 0.00 1.25 0.00 0.00 42.46 39.73 2uwt s ILE 219 CO 0.42 -0.16 0.55 2.29 0.24 0.00 0.00 174.94 178.28 2uwt n LYS 220 N -0.70 0.67 -4.39 0.37 2.85 -1.26 -4.78 118.16 110.91 2uwt n LYS 220 Ca -0.08 0.27 -0.34 0.00 -1.05 0.00 0.00 58.31 57.11 2uwt n LYS 220 Cb 0.55 -1.75 -0.11 0.00 -0.65 0.00 0.00 35.03 33.07 2uwt n LYS 220 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2uwt s SER 221 N -6.29 5.00 0.10 -5.58 0.01 -1.26 -5.03 113.70 100.65 2uwt s SER 221 Ca -0.10 0.00 0.21 0.00 1.31 0.00 0.00 55.95 57.38 2uwt s SER 221 Cb 0.08 -1.60 0.87 0.00 0.21 0.00 0.00 66.02 65.58 2uwt s SER 221 CO 0.81 0.27 1.67 -2.65 0.41 0.00 0.00 173.24 173.75 2uwt n PRO 222 N 2.85 0.09 -0.03 12.44 -0.02 -1.26 -3.22 135.00 145.86 2uwt n PRO 222 Ca -0.18 0.24 0.02 0.00 -2.02 0.00 0.00 63.50 61.56 2uwt n PRO 222 Cb 0.53 -1.64 0.03 0.00 -0.02 0.00 0.00 33.50 32.40 2uwt n PRO 222 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2uwt n THR 223 N -1.80 1.17 -3.81 3.45 -2.24 -1.26 -4.95 114.28 104.84 2uwt n THR 223 Ca 0.04 -1.24 -0.09 0.00 -2.27 0.00 0.00 64.05 60.49 2uwt n THR 223 Cb 0.26 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 2uwt n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2uwt s GLU 224 N -1.36 0.96 -0.00 -0.78 -1.05 -1.20 -4.55 118.70 110.71 2uwt s GLU 224 Ca 0.07 -0.92 0.00 0.00 -0.15 0.00 0.00 54.97 53.98 2uwt s GLU 224 Cb 0.06 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 2uwt s GLU 224 CO 0.01 -0.33 -0.01 0.54 0.95 0.00 0.00 175.26 176.42 2uwt s VAL 225 N -3.86 0.10 0.33 1.83 0.11 -1.26 -4.49 120.40 113.16 2uwt s VAL 225 Ca 0.06 -0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 2uwt s VAL 225 Cb 0.04 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.75 2uwt s VAL 225 CO -0.10 0.04 0.51 0.42 -3.33 0.00 0.00 175.10 172.64 2uwt s THR 226 N 0.14 4.97 0.24 5.04 -4.23 -1.26 -4.16 115.64 116.38 2uwt s THR 226 Ca -0.01 -0.64 -0.04 0.00 -1.18 0.00 0.00 61.69 59.82 2uwt s THR 226 Cb -0.03 -3.79 0.21 0.00 1.34 0.00 0.00 72.50 70.23 2uwt s THR 226 CO -0.00 -0.45 1.74 -0.07 -0.54 0.00 0.00 174.62 175.30 2uwt h LEU 227 N 0.84 0.33 -0.55 4.79 3.38 -0.73 0.25 115.31 123.62 2uwt h LEU 227 Ca -0.50 0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.59 2uwt h LEU 227 Cb 1.23 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 2uwt h LEU 227 CO 0.60 0.14 0.34 0.25 0.09 0.00 0.00 178.44 179.86 2uwt h LEU 228 N 0.48 0.56 -0.55 1.67 5.85 -1.48 -1.40 115.31 120.44 2uwt h LEU 228 Ca 0.41 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.05 2uwt h LEU 228 Cb 0.59 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2uwt h LEU 228 CO -0.38 0.39 0.03 -0.33 -0.34 0.00 0.00 178.44 177.82 2uwt h GLU 229 N 0.67 0.94 -0.77 1.25 5.08 -1.44 -2.32 114.58 118.00 2uwt h GLU 229 Ca 0.22 -0.28 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2uwt h GLU 229 Cb -0.00 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 2uwt h GLU 229 CO -0.08 0.94 0.47 0.93 -1.00 0.00 0.00 179.01 180.26 2uwt h GLU 230 N 0.83 0.84 -0.39 2.33 5.08 -0.28 -0.59 114.58 122.39 2uwt h GLU 230 Ca 0.16 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 2uwt h GLU 230 Cb 0.49 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2uwt h GLU 230 CO 0.02 0.56 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.02 2uwt h ASP 231 N 0.87 0.70 -0.07 1.42 5.19 -0.98 0.10 116.42 123.65 2uwt h ASP 231 Ca 0.33 -0.21 -0.22 0.00 -0.62 0.00 0.00 57.03 56.31 2uwt h ASP 231 Cb 0.13 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.46 2uwt h ASP 231 CO -0.16 0.85 -0.79 0.11 -3.12 0.00 0.00 179.24 176.13 2uwt h LYS 232 N 0.64 0.72 0.34 3.56 1.57 -0.84 -0.65 116.57 121.91 2uwt h LYS 232 Ca 0.11 -0.61 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 2uwt h LYS 232 Cb 0.59 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2uwt h LYS 232 CO 0.04 1.21 -0.16 0.82 -0.57 0.00 0.00 179.45 180.79 2uwt h ILE 233 N 0.49 0.67 -0.77 1.86 2.04 -0.85 -1.72 117.51 119.23 2uwt h ILE 233 Ca -0.06 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 2uwt h ILE 233 Cb 1.42 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 2uwt h ILE 233 CO 0.16 0.08 0.45 0.00 0.00 0.00 0.00 178.15 178.84 2uwt h GLY 235 N 1.06 0.63 0.81 0.00 0.00 -1.16 -1.32 103.07 103.08 2uwt h GLY 235 Ca 0.27 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2uwt h GLY 235 CO -0.05 0.26 -0.02 -1.82 0.00 0.00 0.00 176.54 174.91 2uwt h TYR 236 N 0.57 -0.05 -0.28 5.60 3.20 -0.99 -0.92 116.97 124.10 2uwt h TYR 236 Ca 0.15 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.05 2uwt h TYR 236 Cb 0.01 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 2uwt h TYR 236 CO -0.03 0.15 0.12 0.28 -1.64 0.00 0.00 178.16 177.05 2uwt h VAL 237 N -0.25 0.97 -0.68 1.81 2.07 -1.27 -2.11 116.25 116.79 2uwt h VAL 237 Ca -0.01 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.48 2uwt h VAL 237 Cb 0.23 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2uwt h VAL 237 CO 0.01 0.05 0.45 0.00 0.02 0.00 0.00 177.57 178.10 2uwt h ALA 238 N 1.16 1.73 0.00 1.67 0.00 -1.20 -2.36 119.26 120.26 2uwt h ALA 238 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2uwt h ALA 238 Cb 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2uwt h ALA 238 CO -0.10 0.16 -0.09 0.78 0.00 0.00 0.00 179.25 180.00 2uwt h GLY 239 N 0.70 0.00 2.00 0.00 0.00 -0.46 -1.73 103.07 103.58 2uwt h GLY 239 Ca 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 2uwt h GLY 239 CO -0.09 0.00 -0.23 -1.33 0.00 0.00 0.00 176.54 174.88 2uwt h GLY 240 N 0.81 0.00 -0.02 4.60 0.00 -1.26 -0.58 103.07 106.62 2uwt h GLY 240 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 2uwt h GLY 240 CO 0.01 0.00 -0.19 1.41 0.00 0.00 0.00 176.54 177.78 2uwt h LEU 241 N 0.00 -0.65 0.01 3.11 3.38 -1.36 0.23 115.31 120.04 2uwt h LEU 241 Ca -0.00 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2uwt h LEU 241 Cb 0.45 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2uwt h LEU 241 CO 0.03 -0.22 -0.13 -0.03 0.09 0.00 0.00 178.44 178.18 2uwt h MET 242 N -0.10 0.07 0.00 1.13 4.05 -1.70 -3.33 114.93 115.06 2uwt h MET 242 Ca 0.21 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 2uwt h MET 242 Cb 0.42 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 2uwt h MET 242 CO -0.50 0.93 -0.55 0.66 0.23 0.00 0.00 176.91 177.68 2uwt n TYR 243 N -4.58 0.40 1.16 1.39 4.01 -0.24 -3.08 117.16 116.22 2uwt n TYR 243 Ca -0.10 0.12 0.12 0.00 -0.16 0.00 0.00 57.90 57.88 2uwt n TYR 243 Cb 0.48 -0.55 0.22 0.00 -0.31 0.00 0.00 39.34 39.18 2uwt n TYR 243 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2uwt n ALA 244 N -1.73 2.98 -0.31 -0.72 0.00 0.80 -4.62 120.51 116.93 2uwt n ALA 244 Ca 0.04 -0.56 0.15 0.00 0.00 0.00 0.00 53.44 53.07 2uwt n ALA 244 Cb 0.41 -0.96 0.32 0.00 0.00 0.00 0.00 19.45 19.23 2uwt n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uwt h ALA 245 N 4.13 1.46 -0.84 0.00 0.00 -1.61 0.84 119.26 123.23 2uwt h ALA 245 Ca 0.00 0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.25 2uwt h ALA 245 Cb 0.70 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2uwt h ALA 245 CO 0.00 -0.41 0.55 -1.35 0.00 0.00 0.00 179.25 178.05 2uwt h PRO 246 N 0.34 0.52 -0.80 0.00 0.11 -1.84 -2.71 132.00 127.61 2uwt h PRO 246 Ca 0.58 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.61 2uwt h PRO 246 Cb 1.16 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2uwt h PRO 246 CO -0.57 0.34 0.07 1.63 -0.21 0.00 0.00 178.00 179.26 2uwt n LYS 247 N -4.52 3.04 -4.08 1.05 4.01 0.29 -4.89 118.16 113.05 2uwt n LYS 247 Ca 0.17 -1.85 -0.14 0.00 -0.51 0.00 0.00 58.31 55.97 2uwt n LYS 247 Cb 0.54 -1.91 -0.14 0.00 -0.51 0.00 0.00 35.03 33.01 2uwt n LYS 247 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2uwt s ARG 248 N -2.03 0.34 0.00 1.97 3.52 -1.02 -3.92 118.95 117.82 2uwt s ARG 248 Ca 0.33 -0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.69 2uwt s ARG 248 Cb 0.25 -0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.35 2uwt s ARG 248 CO 0.09 0.08 0.00 1.17 -0.81 0.00 0.00 175.30 175.82 2uwt n LYS 249 N 2.74 0.00 0.00 5.12 4.81 -1.26 -4.94 118.16 124.63 2uwt n LYS 249 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 2uwt n LYS 249 Cb 0.58 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.63 2uwt n LYS 249 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2uwt n SER 250 N 0.00 3.57 0.00 3.14 3.41 -1.26 -4.69 113.62 117.79 2uwt n SER 250 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2uwt n SER 250 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2uwt n SER 250 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21