#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m50 h GLU 10 N 0.00 0.40 0.00 3.49 5.08 -2.04 -2.30 114.58 119.21 3m50 h GLU 10 Ca 0.00 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3m50 h GLU 10 Cb 0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3m50 h GLU 10 CO 0.00 0.26 -0.24 -0.91 -1.00 0.00 0.00 179.01 177.12 3m50 h ASN 11 N 0.41 0.00 0.34 1.42 4.21 -1.98 0.12 115.58 120.10 3m50 h ASN 11 Ca 0.16 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.65 3m50 h ASN 11 Cb 0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 3m50 h ASN 11 CO -0.10 0.24 -0.16 0.58 -1.29 0.00 0.00 177.43 176.70 3m50 h VAL 12 N 0.00 0.62 -0.53 2.81 2.07 -1.86 0.15 116.25 119.51 3m50 h VAL 12 Ca -0.00 -0.58 0.10 0.00 0.82 0.00 0.00 66.70 67.04 3m50 h VAL 12 Cb 0.84 0.89 -0.11 0.00 -1.52 0.00 0.00 31.29 31.39 3m50 h VAL 12 CO 0.03 0.10 -0.28 0.22 0.02 0.00 0.00 177.57 177.66 3m50 h TYR 13 N -0.81 -0.75 -0.62 1.57 3.20 -0.83 0.25 116.97 118.98 3m50 h TYR 13 Ca -0.05 0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.94 3m50 h TYR 13 Cb 0.52 0.41 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 3m50 h TYR 13 CO 0.02 -0.35 0.41 0.52 -1.64 0.00 0.00 178.16 177.12 3m50 h MET 14 N -0.15 0.64 -0.09 1.82 2.86 -0.68 -1.69 114.93 117.63 3m50 h MET 14 Ca 0.23 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 3m50 h MET 14 Cb 0.52 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3m50 h MET 14 CO -0.62 0.43 0.01 0.00 1.06 0.00 0.00 176.91 177.79 3m50 h ALA 15 N 1.65 0.09 0.00 6.32 0.00 0.24 -2.10 119.26 125.45 3m50 h ALA 15 Ca 0.26 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3m50 h ALA 15 Cb 0.20 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3m50 h ALA 15 CO -0.08 -0.45 -0.16 0.87 0.00 0.00 0.00 179.25 179.43 3m50 h LYS 16 N 0.05 0.00 -0.08 0.00 1.57 -0.15 -1.20 116.57 116.75 3m50 h LYS 16 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3m50 h LYS 16 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3m50 h LYS 16 CO -0.06 0.16 -0.02 -0.07 -0.57 0.00 0.00 179.45 178.89 3m50 h LEU 17 N 0.00 0.15 -1.40 2.94 3.38 -0.93 0.28 115.31 119.72 3m50 h LEU 17 Ca -0.00 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.67 3m50 h LEU 17 Cb 0.32 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3m50 h LEU 17 CO 0.02 0.47 0.46 0.00 0.09 0.00 0.00 178.44 179.49 3m50 h ALA 18 N 0.68 1.71 -0.14 1.53 0.00 -0.98 0.40 119.26 122.46 3m50 h ALA 18 Ca 0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3m50 h ALA 18 Cb 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3m50 h ALA 18 CO 0.01 0.18 -0.28 1.49 0.00 0.00 0.00 179.25 180.65 3m50 h GLU 19 N 0.74 0.44 -0.04 0.00 4.81 -1.04 0.41 114.58 119.89 3m50 h GLU 19 Ca 0.30 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3m50 h GLU 19 Cb 0.24 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 3m50 h GLU 19 CO -0.10 0.89 0.02 1.96 -0.73 0.00 0.00 179.01 181.05 3m50 h GLN 20 N 0.05 0.06 0.00 1.92 1.08 0.16 -0.45 115.11 117.93 3m50 h GLN 20 Ca 0.01 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3m50 h GLN 20 Cb 0.87 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 3m50 h GLN 20 CO 0.06 0.05 -0.49 0.00 -0.95 0.00 0.00 178.83 177.50 3m50 n ALA 21 N -2.53 3.19 -3.34 3.87 0.00 0.12 -4.91 120.51 116.90 3m50 n ALA 21 Ca -0.02 -0.29 -0.19 0.00 0.00 0.00 0.00 53.44 52.94 3m50 n ALA 21 Cb 0.09 -1.18 0.06 0.00 0.00 0.00 0.00 19.45 18.43 3m50 n ALA 21 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3m50 n GLU 22 N -1.72 -6.27 -3.64 0.00 1.02 0.15 -4.95 120.64 105.24 3m50 n GLU 22 Ca 0.05 0.68 -0.38 0.00 -0.02 0.00 0.00 57.16 57.49 3m50 n GLU 22 Cb 0.37 -5.26 -0.08 0.00 -0.02 0.00 0.00 31.44 26.45 3m50 n GLU 22 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3m50 s ARG 23 N -6.02 2.91 0.08 3.49 0.52 0.12 -4.95 118.95 115.10 3m50 s ARG 23 Ca 0.46 -2.70 -0.09 0.00 -0.52 0.00 0.00 55.73 52.88 3m50 s ARG 23 Cb -0.20 -3.90 -0.24 0.00 0.52 0.00 0.00 34.95 31.13 3m50 s ARG 23 CO 0.57 -1.21 1.16 1.88 0.02 0.00 0.00 175.30 177.71 3m50 h TYR 24 N 6.91 0.75 -0.47 -0.53 0.05 -1.93 -1.99 116.97 119.76 3m50 h TYR 24 Ca 0.04 -0.49 -0.01 0.00 0.05 0.00 0.00 58.73 58.33 3m50 h TYR 24 Cb 0.93 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.60 3m50 h TYR 24 CO 0.77 1.34 0.23 0.93 -1.05 0.00 0.00 178.16 180.38 3m50 h GLU 25 N 0.19 0.65 -0.37 4.88 3.07 -1.92 0.61 114.58 121.69 3m50 h GLU 25 Ca -0.15 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 58.51 3m50 h GLU 25 Cb 1.87 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 29.64 3m50 h GLU 25 CO 0.21 0.50 -0.29 0.93 -1.40 0.00 0.00 179.01 178.96 3m50 h GLU 26 N 0.65 0.78 -0.77 2.33 5.08 -1.97 -2.83 114.58 117.87 3m50 h GLU 26 Ca 0.17 -0.35 0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3m50 h GLU 26 Cb 0.06 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 3m50 h GLU 26 CO -0.02 0.98 0.50 1.98 -1.00 0.00 0.00 179.01 181.45 3m50 h MET 27 N 0.67 0.74 0.87 2.33 4.05 0.85 -1.33 114.93 123.11 3m50 h MET 27 Ca 0.08 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 3m50 h MET 27 Cb 0.83 -0.17 0.01 0.00 -0.80 0.00 0.00 31.60 31.47 3m50 h MET 27 CO 0.07 0.49 -0.42 0.28 0.23 0.00 0.00 176.91 177.56 3m50 h VAL 28 N 0.76 0.00 -0.93 -5.77 2.07 -0.52 -1.39 116.25 110.47 3m50 h VAL 28 Ca 0.34 -0.09 0.17 0.00 0.82 0.00 0.00 66.70 67.94 3m50 h VAL 28 Cb 0.34 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.94 3m50 h VAL 28 CO -0.12 0.00 -0.30 -0.33 0.02 0.00 0.00 177.57 176.83 3m50 h GLU 29 N -1.26 -0.01 -0.80 1.57 5.08 -1.20 1.08 114.58 119.03 3m50 h GLU 29 Ca -0.12 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3m50 h GLU 29 Cb 0.90 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 3m50 h GLU 29 CO 0.20 -0.01 0.53 0.74 -1.00 0.00 0.00 179.01 179.47 3m50 h PHE 30 N -0.02 1.00 -0.01 4.33 0.05 -1.11 -0.91 116.94 120.28 3m50 h PHE 30 Ca 0.39 0.02 -0.22 0.00 3.82 0.00 0.00 57.97 61.99 3m50 h PHE 30 Cb 0.64 -0.34 -0.00 0.00 2.00 0.00 0.00 35.95 38.25 3m50 h PHE 30 CO -0.78 0.62 -0.90 0.52 -0.18 0.00 0.00 178.31 177.59 3m50 h MET 31 N 1.07 0.37 0.01 1.51 2.86 0.21 -0.40 114.93 120.57 3m50 h MET 31 Ca 0.30 -0.39 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3m50 h MET 31 Cb -0.10 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.62 3m50 h MET 31 CO -0.07 1.06 -0.35 0.93 1.06 0.00 0.00 176.91 179.54 3m50 h GLU 32 N 0.22 -0.49 -0.69 1.72 4.39 -0.14 -2.27 114.58 117.31 3m50 h GLU 32 Ca -0.07 0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.78 3m50 h GLU 32 Cb 1.53 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 30.21 3m50 h GLU 32 CO 0.15 -0.33 0.29 0.87 -1.16 0.00 0.00 179.01 178.84 3m50 h LYS 33 N -0.51 0.47 -0.95 2.33 1.57 -0.63 0.87 116.57 119.72 3m50 h LYS 33 Ca 0.06 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.94 3m50 h LYS 33 Cb 0.59 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.71 3m50 h LYS 33 CO -0.28 0.31 0.57 0.28 -0.57 0.00 0.00 179.45 179.76 3m50 h VAL 34 N 0.48 0.84 0.00 0.50 2.07 -0.56 -1.45 116.25 118.13 3m50 h VAL 34 Ca 0.35 -0.29 -0.14 0.00 0.82 0.00 0.00 66.70 67.44 3m50 h VAL 34 Cb 0.45 -0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3m50 h VAL 34 CO -0.32 0.15 -0.56 0.28 0.02 0.00 0.00 177.57 177.13 3m50 h SER 35 N 0.85 0.49 0.29 0.57 0.02 -0.29 -2.78 113.55 112.70 3m50 h SER 35 Ca 0.49 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3m50 h SER 35 Cb 0.59 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 3m50 h SER 35 CO -0.31 1.20 -0.43 0.78 -1.14 0.00 0.00 176.83 176.94 3m50 h ASN 36 N -0.16 -1.20 -0.82 3.07 4.21 -1.25 -2.26 115.58 117.17 3m50 h ASN 36 Ca -0.07 0.12 0.12 0.00 1.21 0.00 0.00 56.30 57.67 3m50 h ASN 36 Cb 1.29 0.42 -0.13 0.00 -1.12 0.00 0.00 38.32 38.79 3m50 h ASN 36 CO 0.11 -0.54 -0.35 -1.20 -1.29 0.00 0.00 177.43 174.16 3m50 n SER 37 N -5.49 -0.60 -3.69 5.81 7.64 -0.57 -4.99 113.62 111.73 3m50 n SER 37 Ca -0.09 1.43 0.00 0.00 1.01 0.00 0.00 58.87 61.22 3m50 n SER 37 Cb 0.40 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 3m50 n SER 37 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3m50 n LEU 38 N -5.17 0.00 0.00 -3.43 4.77 -0.85 -5.13 117.00 107.19 3m50 n LEU 38 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3m50 n LEU 38 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3m50 n LEU 38 CO -0.12 -0.59 0.00 -1.84 -1.33 0.00 0.00 177.39 173.52 3m50 n GLU 41 N -0.31 0.00 -2.98 3.23 0.00 -1.26 -4.98 120.64 114.33 3m50 n GLU 41 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.72 3m50 n GLU 41 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.40 3m50 n GLU 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 3m50 s GLU 42 N 0.00 3.09 0.16 3.44 2.56 -1.26 -5.01 118.70 121.67 3m50 s GLU 42 Ca 0.00 -1.04 -0.33 0.00 0.00 0.00 0.00 54.97 53.60 3m50 s GLU 42 Cb 0.00 -4.24 -0.16 0.00 2.00 0.00 0.00 34.13 31.73 3m50 s GLU 42 CO 0.00 -1.66 1.09 -0.11 -0.56 0.00 0.00 175.26 174.01 3m50 n LEU 43 N 7.03 1.08 -4.90 2.70 0.00 -1.26 -4.93 117.00 116.72 3m50 n LEU 43 Ca -0.06 1.14 -0.28 0.00 0.00 0.00 0.00 56.01 56.81 3m50 n LEU 43 Cb 0.44 -1.16 0.03 0.00 0.00 0.00 0.00 43.42 42.74 3m50 n LEU 43 CO 0.61 -1.54 0.63 0.42 0.00 0.00 0.00 177.39 177.52 3m50 s THR 44 N -0.25 3.74 0.22 1.96 -4.23 -1.26 -4.80 115.64 111.01 3m50 s THR 44 Ca 0.74 0.28 -0.08 0.00 -1.18 0.00 0.00 61.69 61.44 3m50 s THR 44 Cb -0.91 -3.52 0.18 0.00 1.34 0.00 0.00 72.50 69.59 3m50 s THR 44 CO 0.53 -0.61 1.71 0.58 -0.54 0.00 0.00 174.62 176.30 3m50 h VAL 45 N -0.36 0.65 -0.41 2.29 2.07 -1.99 0.35 116.25 118.86 3m50 h VAL 45 Ca -0.45 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 3m50 h VAL 45 Cb 1.25 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3m50 h VAL 45 CO 0.62 0.06 0.24 -0.08 0.02 0.00 0.00 177.57 178.43 3m50 h GLU 46 N 0.31 0.55 -0.34 1.57 4.81 -1.99 -1.72 114.58 117.77 3m50 h GLU 46 Ca 0.34 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 3m50 h GLU 46 Cb 0.50 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3m50 h GLU 46 CO -0.40 0.42 0.13 0.93 -0.73 0.00 0.00 179.01 179.35 3m50 h GLU 47 N 0.54 0.51 -0.51 1.92 5.08 -1.68 -0.96 114.58 119.48 3m50 h GLU 47 Ca 0.15 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3m50 h GLU 47 Cb 0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3m50 h GLU 47 CO -0.03 0.52 0.22 -0.09 -1.00 0.00 0.00 179.01 178.64 3m50 h ARG 48 N 0.40 0.75 -0.30 2.33 2.43 -0.20 0.23 114.38 120.02 3m50 h ARG 48 Ca 0.11 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3m50 h ARG 48 Cb 0.21 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3m50 h ARG 48 CO -0.01 0.64 0.20 -0.91 -1.51 0.00 0.00 179.97 178.38 3m50 h ASN 49 N 0.68 0.35 -0.09 -3.80 2.35 -1.17 -2.01 115.58 111.89 3m50 h ASN 49 Ca 0.17 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3m50 h ASN 49 Cb 0.16 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 3m50 h ASN 49 CO -0.02 0.27 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.84 3m50 h LEU 50 N 0.40 -0.38 -0.60 1.61 3.38 -0.62 -0.63 115.31 118.47 3m50 h LEU 50 Ca 0.11 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.24 3m50 h LEU 50 Cb -0.03 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 3m50 h LEU 50 CO -0.02 -0.17 0.22 0.25 0.09 0.00 0.00 178.44 178.80 3m50 h LEU 51 N -0.17 0.21 -0.46 1.67 5.85 -0.65 0.39 115.31 122.14 3m50 h LEU 51 Ca 0.08 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 3m50 h LEU 51 Cb 0.27 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3m50 h LEU 51 CO -0.19 0.13 0.01 -1.28 -0.34 0.00 0.00 178.44 176.77 3m50 h SER 52 N 0.39 0.79 -0.49 1.25 0.87 -1.12 -2.19 113.55 113.05 3m50 h SER 52 Ca 0.30 -0.30 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3m50 h SER 52 Cb 0.37 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 3m50 h SER 52 CO -0.31 0.90 0.22 0.58 -0.53 0.00 0.00 176.83 177.69 3m50 h VAL 53 N 0.66 0.91 -0.32 2.23 2.07 -0.10 0.33 116.25 122.04 3m50 h VAL 53 Ca 0.13 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3m50 h VAL 53 Cb 0.48 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3m50 h VAL 53 CO 0.02 0.08 0.10 0.00 0.02 0.00 0.00 177.57 177.79 3m50 h ALA 54 N 1.29 0.36 -0.22 1.67 0.00 -0.60 -0.12 119.26 121.64 3m50 h ALA 54 Ca 0.22 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.98 3m50 h ALA 54 Cb 0.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3m50 h ALA 54 CO -0.19 -0.31 -0.63 1.88 0.00 0.00 0.00 179.25 180.00 3m50 h TYR 55 N 0.23 1.00 -0.26 0.00 0.05 -1.25 -1.57 116.97 115.16 3m50 h TYR 55 Ca 0.14 -0.39 0.06 0.00 0.05 0.00 0.00 58.73 58.60 3m50 h TYR 55 Cb 0.13 -0.18 -0.06 0.00 1.01 0.00 0.00 36.73 37.63 3m50 h TYR 55 CO -0.15 1.20 -0.14 -0.22 -1.05 0.00 0.00 178.16 177.81 3m50 h LYS 56 N 0.57 -0.10 -0.38 4.88 3.64 0.06 0.19 116.57 125.43 3m50 h LYS 56 Ca -0.01 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3m50 h LYS 56 Cb 1.24 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 3m50 h LYS 56 CO 0.13 -0.07 0.05 -0.91 -2.27 0.00 0.00 179.45 176.38 3m50 h ASN 57 N -0.11 0.61 0.11 4.20 2.35 -0.95 0.81 115.58 122.60 3m50 h ASN 57 Ca 0.14 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 3m50 h ASN 57 Cb 0.31 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3m50 h ASN 57 CO -0.32 0.73 -0.05 0.58 -1.65 0.00 0.00 177.43 176.72 3m50 h VAL 58 N 0.47 0.99 -0.48 2.81 2.07 -1.04 -0.81 116.25 120.26 3m50 h VAL 58 Ca 0.11 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 3m50 h VAL 58 Cb 0.39 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3m50 h VAL 58 CO 0.01 0.09 -0.01 -0.29 0.02 0.00 0.00 177.57 177.39 3m50 h ILE 59 N -0.31 1.24 -0.60 4.57 6.09 -0.62 -2.98 117.51 124.90 3m50 h ILE 59 Ca -0.01 -1.02 0.09 0.00 -1.37 0.00 0.00 64.86 62.55 3m50 h ILE 59 Cb 0.26 0.89 -0.07 0.00 0.47 0.00 0.00 36.82 38.36 3m50 h ILE 59 CO 0.02 0.36 0.23 1.23 -3.07 0.00 0.00 178.15 176.92 3m50 h GLY 60 N 0.97 0.84 0.83 8.18 0.00 0.87 0.22 103.07 114.98 3m50 h GLY 60 Ca 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 3m50 h GLY 60 CO 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 176.54 176.57 3m50 h ALA 61 N 1.41 0.07 -0.53 3.60 0.00 -1.10 -0.54 119.26 122.16 3m50 h ALA 61 Ca 0.30 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3m50 h ALA 61 Cb 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3m50 h ALA 61 CO -0.30 -0.34 0.28 0.00 0.00 0.00 0.00 179.25 178.90 3m50 h ARG 62 N -0.09 0.52 -0.57 0.00 2.47 -1.25 -1.08 114.38 114.38 3m50 h ARG 62 Ca 0.02 -0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 3m50 h ARG 62 Cb 0.19 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 3m50 h ARG 62 CO -0.00 0.35 0.38 0.00 0.56 0.00 0.00 179.97 181.25 3m50 h ARG 63 N 0.54 0.69 -0.38 0.04 3.08 -0.29 0.27 114.38 118.34 3m50 h ARG 63 Ca 0.23 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 3m50 h ARG 63 Cb 0.13 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3m50 h ARG 63 CO -0.16 0.46 -0.12 0.00 -1.07 0.00 0.00 179.97 179.08 3m50 h ALA 64 N 1.66 0.52 -0.12 0.04 0.00 -0.63 0.24 119.26 120.97 3m50 h ALA 64 Ca 0.22 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 3m50 h ALA 64 Cb 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3m50 h ALA 64 CO -0.05 0.41 -0.71 0.77 0.00 0.00 0.00 179.25 179.66 3m50 h SER 65 N 0.55 0.63 -0.28 0.00 0.02 0.40 -1.78 113.55 113.08 3m50 h SER 65 Ca 0.09 -0.40 0.02 0.00 -0.84 0.00 0.00 61.79 60.66 3m50 h SER 65 Cb 0.64 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 3m50 h SER 65 CO 0.04 1.15 0.13 -0.25 -1.14 0.00 0.00 176.83 176.77 3m50 h TRP 66 N 0.37 0.25 -0.15 3.45 7.01 -0.38 -0.47 115.95 126.03 3m50 h TRP 66 Ca -0.03 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 3m50 h TRP 66 Cb 1.30 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 28.28 3m50 h TRP 66 CO 0.06 0.13 -0.03 0.00 -2.79 0.00 0.00 178.44 175.81 3m50 h ARG 67 N 0.28 0.21 0.00 2.65 3.08 0.12 -0.74 114.38 119.97 3m50 h ARG 67 Ca 0.12 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 3m50 h ARG 67 Cb 0.04 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3m50 h ARG 67 CO -0.08 0.26 -0.66 0.82 -1.07 0.00 0.00 179.97 179.24 3m50 h ILE 68 N 0.21 1.18 0.15 2.04 2.04 -0.32 -2.42 117.51 120.39 3m50 h ILE 68 Ca 0.05 -2.52 -0.32 0.00 1.00 0.00 0.00 64.86 63.08 3m50 h ILE 68 Cb 0.19 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 3m50 h ILE 68 CO 0.01 0.64 -1.54 0.40 0.00 0.00 0.00 178.15 177.65 3m50 h ILE 69 N 0.00 1.16 -0.76 -0.67 1.08 -0.74 -2.80 117.51 114.78 3m50 h ILE 69 Ca -0.01 -2.75 -0.02 0.00 -0.39 0.00 0.00 64.86 61.69 3m50 h ILE 69 Cb 1.43 2.82 -0.04 0.00 -3.07 0.00 0.00 36.82 37.96 3m50 h ILE 69 CO 0.09 0.83 0.38 0.28 -0.69 0.00 0.00 178.15 179.04 3m50 h SER 70 N 0.09 0.97 -0.77 1.72 0.02 -1.05 0.87 113.55 115.41 3m50 h SER 70 Ca -0.26 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.56 3m50 h SER 70 Cb 2.05 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 64.31 3m50 h SER 70 CO 0.18 0.81 0.34 -1.28 -1.14 0.00 0.00 176.83 175.75 3m50 h SER 71 N 1.08 1.03 -0.70 3.07 0.87 -1.49 -0.64 113.55 116.77 3m50 h SER 71 Ca 0.26 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 3m50 h SER 71 Cb 0.09 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 3m50 h SER 71 CO -0.04 0.90 0.27 0.40 -0.53 0.00 0.00 176.83 177.83 3m50 h ILE 72 N 1.09 1.25 -0.80 2.23 2.04 -0.99 -1.30 117.51 121.03 3m50 h ILE 72 Ca 0.26 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 3m50 h ILE 72 Cb 0.17 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3m50 h ILE 72 CO -0.03 0.32 0.41 -0.08 0.00 0.00 0.00 178.15 178.78 3m50 h GLU 73 N 1.05 1.13 -0.68 2.37 4.81 -0.17 -1.27 114.58 121.81 3m50 h GLU 73 Ca 0.24 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3m50 h GLU 73 Cb 0.23 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3m50 h GLU 73 CO -0.02 0.85 0.30 0.37 -0.73 0.00 0.00 179.01 179.78 3m50 h GLN 74 N 1.11 1.01 -0.83 1.92 4.15 -0.54 -2.32 115.11 119.61 3m50 h GLN 74 Ca 0.28 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 3m50 h GLN 74 Cb 0.08 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 3m50 h GLN 74 CO -0.04 0.82 0.38 0.87 -1.93 0.00 0.00 178.83 178.93 3m50 h LYS 75 N 0.96 1.21 -0.63 1.69 1.57 -0.64 -3.18 116.57 117.55 3m50 h LYS 75 Ca 0.23 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3m50 h LYS 75 Cb 0.17 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3m50 h LYS 75 CO -0.02 0.95 0.22 1.49 -0.57 0.00 0.00 179.45 181.51 3m50 h GLU 76 N 1.20 0.96 -4.87 3.15 4.57 -0.69 -3.51 114.58 115.39 3m50 h GLU 76 Ca 0.28 -0.19 -0.51 0.00 -1.18 0.00 0.00 59.36 57.76 3m50 h GLU 76 Cb 0.15 -0.15 0.06 0.00 -0.16 0.00 0.00 28.75 28.66 3m50 h GLU 76 CO -0.03 0.83 1.56 0.39 -1.18 0.00 0.00 179.01 180.58 3m50 n GLU 77 N -4.40 0.87 0.00 1.92 1.02 -1.14 -4.97 120.64 113.93 3m50 n GLU 77 Ca 0.04 -1.64 0.00 0.00 -0.02 0.00 0.00 57.16 55.54 3m50 n GLU 77 Cb 0.19 -3.01 0.00 0.00 -0.02 0.00 0.00 31.44 28.60 3m50 n GLU 77 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3m50 n HIS 84 N 10.40 0.00 -0.37 -0.32 -0.00 -1.26 -5.15 115.22 118.52 3m50 n HIS 84 Ca 0.47 0.00 0.34 0.00 -0.00 0.00 0.00 57.72 58.53 3m50 n HIS 84 Cb 0.43 0.00 0.61 0.00 -0.00 0.00 0.00 29.99 31.03 3m50 n HIS 84 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3m50 h VAL 85 N 0.00 0.02 0.00 1.59 2.07 -1.93 0.29 116.25 118.29 3m50 h VAL 85 Ca 0.00 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 3m50 h VAL 85 Cb 0.00 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 3m50 h VAL 85 CO 0.00 0.00 -0.87 -0.55 0.02 0.00 0.00 177.57 176.17 3m50 h ASN 86 N 0.02 0.00 0.42 0.57 -1.07 -2.00 0.16 115.58 113.68 3m50 h ASN 86 Ca 0.85 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 57.21 3m50 h ASN 86 Cb 2.41 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 38.66 3m50 h ASN 86 CO -0.66 0.42 -0.24 0.28 0.07 0.00 0.00 177.43 177.30 3m50 h SER 87 N 0.00 -0.61 -0.95 6.14 0.02 -0.95 0.33 113.55 117.53 3m50 h SER 87 Ca -0.06 0.03 0.29 0.00 -0.84 0.00 0.00 61.79 61.21 3m50 h SER 87 Cb 1.38 0.17 -0.16 0.00 0.14 0.00 0.00 62.40 63.93 3m50 h SER 87 CO 0.04 -0.38 0.32 0.40 -1.14 0.00 0.00 176.83 176.07 3m50 h ILE 88 N -0.62 0.20 -0.21 3.27 2.04 -1.03 0.52 117.51 121.67 3m50 h ILE 88 Ca -0.06 -0.05 -0.15 0.00 1.00 0.00 0.00 64.86 65.59 3m50 h ILE 88 Cb 0.49 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3m50 h ILE 88 CO 0.07 0.03 -0.50 -0.09 0.00 0.00 0.00 178.15 177.66 3m50 h ARG 89 N 0.16 0.59 -0.31 2.37 2.43 -0.42 0.13 114.38 119.33 3m50 h ARG 89 Ca 0.65 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 3m50 h ARG 89 Cb 1.46 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.03 3m50 h ARG 89 CO -0.72 0.95 0.10 0.93 -1.51 0.00 0.00 179.97 179.73 3m50 h GLU 90 N 0.46 0.49 -0.03 0.20 4.39 0.39 -2.25 114.58 118.22 3m50 h GLU 90 Ca 0.02 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.64 3m50 h GLU 90 Cb 1.04 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.59 3m50 h GLU 90 CO 0.10 0.53 -0.13 -0.92 -1.16 0.00 0.00 179.01 177.43 3m50 h TYR 91 N 0.35 -0.33 -0.99 4.33 3.20 0.09 -0.96 116.97 122.67 3m50 h TYR 91 Ca 0.10 0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.17 3m50 h TYR 91 Cb 0.24 0.15 -0.10 0.00 1.54 0.00 0.00 36.73 38.57 3m50 h TYR 91 CO 0.01 -0.19 0.61 -0.09 -1.64 0.00 0.00 178.16 176.86 3m50 h ARG 92 N -0.20 0.69 -0.15 1.82 2.43 -0.76 0.32 114.38 118.54 3m50 h ARG 92 Ca 0.06 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3m50 h ARG 92 Cb 0.28 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 3m50 h ARG 92 CO -0.15 0.46 -0.32 0.66 -1.51 0.00 0.00 179.97 179.11 3m50 h SER 93 N 0.71 -0.99 -0.54 -3.80 4.64 -0.56 1.81 113.55 114.83 3m50 h SER 93 Ca 0.55 0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 62.00 3m50 h SER 93 Cb 0.92 0.42 -0.02 0.00 -0.31 0.00 0.00 62.40 63.41 3m50 h SER 93 CO -0.33 -0.35 0.28 0.50 -0.87 0.00 0.00 176.83 176.06 3m50 h LYS 94 N -0.38 0.76 -0.25 4.77 3.64 -0.43 0.20 116.57 124.88 3m50 h LYS 94 Ca 0.10 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3m50 h LYS 94 Cb 0.54 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3m50 h LYS 94 CO -0.36 0.61 -0.07 0.82 -2.27 0.00 0.00 179.45 178.18 3m50 h ILE 95 N 0.72 1.19 -0.65 2.00 2.04 -0.32 -2.28 117.51 120.22 3m50 h ILE 95 Ca 0.19 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 65.16 3m50 h ILE 95 Cb 0.08 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3m50 h ILE 95 CO -0.03 0.27 0.12 -0.33 0.00 0.00 0.00 178.15 178.18 3m50 h GLU 96 N 0.38 1.04 -0.22 2.37 5.08 0.56 -2.41 114.58 121.38 3m50 h GLU 96 Ca 0.08 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 3m50 h GLU 96 Cb 0.37 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3m50 h GLU 96 CO 0.02 0.95 -0.09 -0.97 -1.00 0.00 0.00 179.01 177.92 3m50 h ASN 97 N 0.98 0.32 -0.60 1.42 -1.24 -0.44 -2.45 115.58 113.58 3m50 h ASN 97 Ca 0.20 -0.06 -0.05 0.00 0.71 0.00 0.00 56.30 57.10 3m50 h ASN 97 Cb 0.40 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.34 3m50 h ASN 97 CO 0.01 0.45 0.20 -0.33 -1.29 0.00 0.00 177.43 176.47 3m50 h GLU 98 N 0.33 0.93 -0.70 6.67 5.08 -1.02 -2.76 114.58 123.11 3m50 h GLU 98 Ca 0.07 -0.19 0.12 0.00 -1.00 0.00 0.00 59.36 58.36 3m50 h GLU 98 Cb 0.36 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.39 3m50 h GLU 98 CO 0.02 0.82 0.26 -0.07 -1.00 0.00 0.00 179.01 179.04 3m50 h LEU 99 N 0.85 0.23 -1.03 1.33 3.38 -0.97 -1.40 115.31 117.70 3m50 h LEU 99 Ca 0.20 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 3m50 h LEU 99 Cb 0.27 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3m50 h LEU 99 CO -0.01 0.11 -0.28 0.28 0.09 0.00 0.00 178.44 178.63 3m50 h SER 100 N 0.42 0.36 -0.05 -0.43 0.02 -1.30 -1.44 113.55 111.12 3m50 h SER 100 Ca 0.37 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3m50 h SER 100 Cb 0.53 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 3m50 h SER 100 CO -0.37 0.63 -0.05 0.11 -1.14 0.00 0.00 176.83 176.01 3m50 h LYS 101 N 0.32 0.13 -0.05 3.45 1.79 -1.06 0.29 116.57 121.44 3m50 h LYS 101 Ca 0.05 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 3m50 h LYS 101 Cb 0.66 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.31 3m50 h LYS 101 CO 0.05 0.57 0.01 0.82 -1.08 0.00 0.00 179.45 179.82 3m50 h ILE 102 N -0.31 1.20 -0.54 1.86 5.03 -1.09 0.75 117.51 124.40 3m50 h ILE 102 Ca 0.01 -0.59 0.02 0.00 -0.12 0.00 0.00 64.86 64.18 3m50 h ILE 102 Cb 0.55 1.49 -0.04 0.00 -3.03 0.00 0.00 36.82 35.79 3m50 h ILE 102 CO 0.01 0.16 0.33 0.00 -0.68 0.00 0.00 178.15 177.98 3m50 h ASP 104 N 0.65 -1.31 -0.50 0.00 5.19 -0.27 0.33 116.42 120.51 3m50 h ASP 104 Ca 0.22 0.15 0.04 0.00 -0.62 0.00 0.00 57.03 56.82 3m50 h ASP 104 Cb 0.02 0.50 -0.06 0.00 0.18 0.00 0.00 39.33 39.96 3m50 h ASP 104 CO -0.09 -0.42 -0.29 0.61 -3.12 0.00 0.00 179.24 175.93 3m50 n GLY 105 N -1.36 -2.67 0.14 2.75 0.00 0.26 -2.26 105.19 102.05 3m50 n GLY 105 Ca -0.06 0.85 -0.01 0.00 0.00 0.00 0.00 46.02 46.81 3m50 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3m50 h ILE 106 N 0.00 1.39 0.63 -0.61 6.09 -0.87 -3.14 117.51 121.00 3m50 h ILE 106 Ca 0.08 -2.06 -0.03 0.00 -1.37 0.00 0.00 64.86 61.48 3m50 h ILE 106 Cb 0.20 2.12 -0.01 0.00 0.47 0.00 0.00 36.82 39.61 3m50 h ILE 106 CO -0.47 0.58 -0.44 -0.07 -3.07 0.00 0.00 178.15 174.68 3m50 h LEU 107 N 0.00 -1.15 -0.82 2.19 3.38 0.10 -1.95 115.31 117.06 3m50 h LEU 107 Ca -0.01 0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.21 3m50 h LEU 107 Cb 1.07 0.35 -0.15 0.00 0.09 0.00 0.00 40.66 42.02 3m50 h LEU 107 CO 0.08 -0.65 -0.16 0.11 0.09 0.00 0.00 178.44 177.91 3m50 h LYS 108 N -1.02 0.01 -0.03 1.13 6.56 -1.50 0.70 116.57 122.42 3m50 h LYS 108 Ca -0.08 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.50 3m50 h LYS 108 Cb 0.84 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.49 3m50 h LYS 108 CO 0.05 0.01 -0.03 1.25 -2.06 0.00 0.00 179.45 178.66 3m50 h LEU 109 N 0.01 0.03 -0.38 2.94 6.46 -1.45 -1.47 115.31 121.46 3m50 h LEU 109 Ca 0.41 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 58.13 3m50 h LEU 109 Cb 0.66 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 3m50 h LEU 109 CO -0.82 0.07 0.11 -0.07 -0.62 0.00 0.00 178.44 177.11 3m50 h LEU 110 N 0.04 0.55 0.87 2.25 -0.00 0.12 -1.49 115.31 117.65 3m50 h LEU 110 Ca 0.01 -0.21 -0.04 0.00 -0.00 0.00 0.00 57.88 57.64 3m50 h LEU 110 Cb 0.08 -0.15 0.01 0.00 -0.00 0.00 0.00 40.66 40.61 3m50 h LEU 110 CO 0.00 0.62 -0.42 0.44 -0.00 0.00 0.00 178.44 179.09 3m50 h ASP 111 N 0.46 -0.98 0.48 -0.43 3.32 -1.07 0.43 116.42 118.62 3m50 h ASP 111 Ca 0.12 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3m50 h ASP 111 Cb 0.27 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3m50 h ASP 111 CO -0.00 -0.63 -0.42 0.00 -1.72 0.00 0.00 179.24 176.47 3m50 h ALA 112 N -1.31 -1.12 0.00 3.45 0.00 -1.34 -3.37 119.26 115.58 3m50 h ALA 112 Ca -0.12 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 3m50 h ALA 112 Cb 0.89 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 3m50 h ALA 112 CO 0.20 -1.13 -1.65 1.63 0.00 0.00 0.00 179.25 178.30 3m50 n LYS 113 N -4.97 1.03 0.01 0.00 4.76 -0.64 -4.75 118.16 113.60 3m50 n LYS 113 Ca -0.11 0.04 -0.00 0.00 -2.87 0.00 0.00 58.31 55.37 3m50 n LYS 113 Cb 0.39 -1.23 -0.00 0.00 -1.84 0.00 0.00 35.03 32.35 3m50 n LYS 113 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3m50 h LEU 114 N 0.00 -0.02 0.58 -0.35 3.38 -1.20 -3.35 115.31 114.35 3m50 h LEU 114 Ca -0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3m50 h LEU 114 Cb 1.45 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 3m50 h LEU 114 CO -0.02 0.00 -0.38 0.40 0.09 0.00 0.00 178.44 178.53 3m50 h ILE 115 N -0.07 0.22 -1.41 1.22 2.04 -0.36 -2.97 117.51 116.18 3m50 h ILE 115 Ca -0.00 0.00 0.46 0.00 1.00 0.00 0.00 64.86 66.32 3m50 h ILE 115 Cb 0.02 0.22 -0.11 0.00 -0.74 0.00 0.00 36.82 36.21 3m50 h ILE 115 CO 0.00 0.00 0.95 -2.65 0.00 0.00 0.00 178.15 176.45 3m50 n PRO 116 N -5.51 -0.02 0.00 2.37 -0.02 -1.26 -0.34 135.00 130.22 3m50 n PRO 116 Ca -0.12 1.09 0.12 0.00 -2.02 0.00 0.00 63.50 62.57 3m50 n PRO 116 Cb 0.40 -2.25 0.08 0.00 -0.02 0.00 0.00 33.50 31.71 3m50 n PRO 116 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3m50 n SER 117 N -4.29 2.21 -4.68 2.55 7.64 -1.12 -4.94 113.62 110.98 3m50 n SER 117 Ca 0.38 -1.61 -0.48 0.00 1.01 0.00 0.00 58.87 58.17 3m50 n SER 117 Cb 1.55 0.29 -0.05 0.00 -1.01 0.00 0.00 64.21 64.99 3m50 n SER 117 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m50 n ALA 118 N 0.34 0.95 1.01 -0.43 0.00 0.54 -4.87 120.51 118.06 3m50 n ALA 118 Ca 0.11 0.33 0.11 0.00 0.00 0.00 0.00 53.44 53.99 3m50 n ALA 118 Cb 0.49 -2.45 -0.02 0.00 0.00 0.00 0.00 19.45 17.47 3m50 n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m50 n ALA 119 N 5.69 4.30 -2.30 0.00 0.00 -1.26 -4.89 120.51 122.04 3m50 n ALA 119 Ca 0.21 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 52.99 3m50 n ALA 119 Cb 0.29 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.80 3m50 n ALA 119 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3m50 s SER 120 N -2.89 0.21 0.05 0.00 1.04 -1.26 -5.07 113.70 105.79 3m50 s SER 120 Ca 0.11 -1.17 -0.15 0.00 0.48 0.00 0.00 55.95 55.22 3m50 s SER 120 Cb 0.17 0.35 -0.06 0.00 0.10 0.00 0.00 66.02 66.58 3m50 s SER 120 CO 0.78 -0.80 1.24 1.23 0.98 0.00 0.00 173.24 176.67 3m50 h GLY 121 N 2.74 -1.34 0.29 7.32 0.00 -1.97 -1.43 103.07 108.68 3m50 h GLY 121 Ca -0.34 0.66 0.10 0.00 0.00 0.00 0.00 47.33 47.75 3m50 h GLY 121 CO 0.55 -0.42 0.14 -0.55 0.00 0.00 0.00 176.54 176.27 3m50 h ASP 122 N -0.27 0.06 -0.29 0.19 5.19 -1.98 -1.11 116.42 118.22 3m50 h ASP 122 Ca 0.01 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 3m50 h ASP 122 Cb 0.30 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 3m50 h ASP 122 CO -0.18 0.05 0.14 0.77 -3.12 0.00 0.00 179.24 176.90 3m50 h SER 123 N 0.29 0.38 -0.59 6.45 4.64 -1.94 0.64 113.55 123.42 3m50 h SER 123 Ca 0.29 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 3m50 h SER 123 Cb 0.40 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 3m50 h SER 123 CO -0.35 0.40 0.26 0.11 -0.87 0.00 0.00 176.83 176.37 3m50 h LYS 124 N 0.34 0.86 -0.60 4.77 1.57 -0.71 0.52 116.57 123.32 3m50 h LYS 124 Ca 0.10 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3m50 h LYS 124 Cb 0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3m50 h LYS 124 CO -0.01 0.72 0.05 0.28 -0.57 0.00 0.00 179.45 179.91 3m50 h VAL 125 N 0.81 1.26 0.61 0.50 2.07 -0.85 0.28 116.25 120.93 3m50 h VAL 125 Ca 0.20 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 3m50 h VAL 125 Cb 0.16 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3m50 h VAL 125 CO -0.02 0.40 -0.50 0.15 0.02 0.00 0.00 177.57 177.62 3m50 h PHE 126 N 0.94 -1.37 -0.16 1.57 3.57 0.68 0.13 116.94 122.30 3m50 h PHE 126 Ca 0.18 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3m50 h PHE 126 Cb 0.50 0.52 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 3m50 h PHE 126 CO 0.04 -0.69 0.09 1.88 -2.23 0.00 0.00 178.31 177.40 3m50 h TYR 127 N -1.08 0.21 -0.86 0.41 0.05 -0.81 -1.31 116.97 113.58 3m50 h TYR 127 Ca -0.08 -0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.82 3m50 h TYR 127 Cb 0.91 -0.07 -0.06 0.00 1.01 0.00 0.00 36.73 38.51 3m50 h TYR 127 CO -0.20 0.19 0.56 -0.07 -1.05 0.00 0.00 178.16 177.58 3m50 h LEU 128 N 0.18 0.70 -0.16 3.88 -0.00 -0.41 0.40 115.31 119.89 3m50 h LEU 128 Ca 0.06 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 3m50 h LEU 128 Cb 0.04 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.58 3m50 h LEU 128 CO -0.01 0.39 0.07 0.50 -0.00 0.00 0.00 178.44 179.39 3m50 h LYS 129 N 0.76 0.23 -0.43 1.13 3.64 -0.13 -1.07 116.57 120.70 3m50 h LYS 129 Ca 0.41 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.83 3m50 h LYS 129 Cb 0.55 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 3m50 h LYS 129 CO -0.18 0.29 0.07 0.52 -2.27 0.00 0.00 179.45 177.89 3m50 h MET 130 N 0.12 0.19 -0.28 1.90 2.86 -0.04 0.35 114.93 120.03 3m50 h MET 130 Ca 0.05 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.74 3m50 h MET 130 Cb 0.14 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 3m50 h MET 130 CO -0.01 0.13 -0.09 -0.22 1.06 0.00 0.00 176.91 177.78 3m50 h LYS 131 N 0.20 -0.02 -0.24 1.72 3.64 -0.89 0.61 116.57 121.58 3m50 h LYS 131 Ca 0.21 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 3m50 h LYS 131 Cb 0.27 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 3m50 h LYS 131 CO -0.29 -0.02 -0.17 0.78 -2.27 0.00 0.00 179.45 177.49 3m50 h GLY 132 N -0.03 -0.02 0.79 5.01 0.00 0.28 -1.24 103.07 107.86 3m50 h GLY 132 Ca 0.14 0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.73 3m50 h GLY 132 CO -0.30 -0.17 0.42 -0.55 0.00 0.00 0.00 176.54 175.93 3m50 h ASP 133 N -0.16 0.66 -0.24 0.19 3.32 0.97 0.45 116.42 121.61 3m50 h ASP 133 Ca 0.13 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 3m50 h ASP 133 Cb 0.37 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3m50 h ASP 133 CO -0.34 0.44 -0.49 1.88 -1.72 0.00 0.00 179.24 179.01 3m50 h TYR 134 N 0.79 1.01 -0.41 4.55 0.05 0.70 0.60 116.97 124.27 3m50 h TYR 134 Ca 0.29 -0.34 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 3m50 h TYR 134 Cb 0.09 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 3m50 h TYR 134 CO -0.05 1.15 0.11 0.45 -1.05 0.00 0.00 178.16 178.76 3m50 h HIS 135 N 0.64 0.60 -0.49 4.88 3.86 -1.06 0.11 115.15 123.69 3m50 h HIS 135 Ca 0.03 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 3m50 h HIS 135 Cb 1.08 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 29.33 3m50 h HIS 135 CO 0.06 0.51 0.26 -0.09 0.86 0.00 0.00 177.93 179.54 3m50 h ARG 136 N 0.59 0.50 -0.79 2.45 2.43 0.12 0.48 114.38 120.16 3m50 h ARG 136 Ca 0.14 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3m50 h ARG 136 Cb 0.20 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3m50 h ARG 136 CO -0.01 0.33 0.32 1.88 -1.51 0.00 0.00 179.97 180.99 3m50 h TYR 137 N 0.52 1.20 -0.82 2.20 -1.99 0.20 -0.76 116.97 117.52 3m50 h TYR 137 Ca 0.21 -0.09 0.13 0.00 2.00 0.00 0.00 58.73 60.98 3m50 h TYR 137 Cb 0.09 -0.36 -0.09 0.00 2.00 0.00 0.00 36.73 38.37 3m50 h TYR 137 CO -0.09 0.90 0.42 -0.07 -0.00 0.00 0.00 178.16 179.33 3m50 h LEU 138 N 1.15 0.53 -2.50 3.88 3.38 -0.16 -2.06 115.31 119.53 3m50 h LEU 138 Ca 0.27 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 3m50 h LEU 138 Cb 0.21 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3m50 h LEU 138 CO -0.02 0.25 -0.01 0.00 0.09 0.00 0.00 178.44 178.76 3m50 h ALA 139 N 1.52 1.03 0.00 1.53 0.00 0.14 -1.92 119.26 121.56 3m50 h ALA 139 Ca 0.43 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 3m50 h ALA 139 Cb 0.55 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3m50 h ALA 139 CO -0.33 0.01 -0.02 0.93 0.00 0.00 0.00 179.25 179.84 3m50 h GLU 140 N 0.00 0.00 0.00 0.00 5.08 -1.06 -3.39 114.58 115.22 3m50 h GLU 140 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3m50 h GLU 140 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3m50 h GLU 140 CO 0.00 0.02 -0.60 1.97 -1.00 0.00 0.00 179.01 179.41 3m50 n PHE 141 N -3.12 0.00 -1.14 4.33 1.16 -1.12 -5.07 117.46 112.50 3m50 n PHE 141 Ca 0.02 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.23 3m50 n PHE 141 Cb 0.40 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.31 3m50 n PHE 141 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3m50 n LYS 142 N -1.94 0.07 0.00 3.97 4.76 -0.74 -4.99 118.16 119.29 3m50 n LYS 142 Ca 0.00 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3m50 n LYS 142 Cb 0.30 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 3m50 n LYS 142 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3m50 n THR 143 N -2.27 0.00 0.00 -0.18 -2.24 -1.26 -4.55 114.28 103.77 3m50 n THR 143 Ca 0.06 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3m50 n THR 143 Cb 0.51 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 3m50 n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m50 n GLY 144 N 0.41 1.71 0.32 3.38 0.00 -1.26 -4.64 105.19 105.11 3m50 n GLY 144 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 3m50 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m50 h ALA 145 N 1.00 1.15 -0.39 4.61 0.00 -1.99 -2.73 119.26 120.91 3m50 h ALA 145 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3m50 h ALA 145 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3m50 h ALA 145 CO 0.00 0.59 0.22 0.93 0.00 0.00 0.00 179.25 180.99 3m50 h GLU 146 N 0.94 0.54 -0.26 0.00 5.08 -1.97 0.28 114.58 119.19 3m50 h GLU 146 Ca 0.21 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 3m50 h GLU 146 Cb 0.26 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3m50 h GLU 146 CO -0.01 0.43 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.34 3m50 h ARG 147 N 0.50 0.07 0.49 2.33 2.43 -1.75 0.18 114.38 118.63 3m50 h ARG 147 Ca 0.14 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3m50 h ARG 147 Cb 0.04 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3m50 h ARG 147 CO -0.02 0.05 -0.24 0.87 -1.51 0.00 0.00 179.97 179.12 3m50 h LYS 148 N 0.08 -0.64 0.00 0.20 1.57 -1.14 0.73 116.57 117.37 3m50 h LYS 148 Ca 0.12 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3m50 h LYS 148 Cb 0.16 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3m50 h LYS 148 CO -0.21 -0.42 -0.05 0.93 -0.57 0.00 0.00 179.45 179.13 3m50 h GLU 149 N -0.67 0.00 0.16 3.15 5.08 -0.32 -0.96 114.58 121.02 3m50 h GLU 149 Ca -0.07 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.07 3m50 h GLU 149 Cb 0.51 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.78 3m50 h GLU 149 CO 0.11 0.05 -0.96 0.00 -1.00 0.00 0.00 179.01 177.21 3m50 h ALA 150 N 1.95 -0.10 -0.94 3.43 0.00 0.97 -2.49 119.26 122.09 3m50 h ALA 150 Ca -0.00 -0.73 0.13 0.00 0.00 0.00 0.00 54.91 54.31 3m50 h ALA 150 Cb 0.15 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 3m50 h ALA 150 CO 0.01 0.45 0.60 0.00 0.00 0.00 0.00 179.25 180.31 3m50 h ALA 151 N 0.12 1.68 0.16 0.00 0.00 0.11 -0.69 119.26 120.64 3m50 h ALA 151 Ca -0.16 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3m50 h ALA 151 Cb 1.75 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3m50 h ALA 151 CO 0.18 0.08 -0.08 1.49 0.00 0.00 0.00 179.25 180.92 3m50 h GLU 152 N 0.83 -0.20 -0.81 0.00 4.81 -1.21 -1.77 114.58 116.23 3m50 h GLU 152 Ca 0.46 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.89 3m50 h GLU 152 Cb 0.59 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.91 3m50 h GLU 152 CO -0.23 0.23 0.28 0.77 -0.73 0.00 0.00 179.01 179.33 3m50 h SER 153 N -0.82 0.18 0.57 1.04 0.02 -1.37 0.72 113.55 113.89 3m50 h SER 153 Ca -0.02 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3m50 h SER 153 Cb 0.53 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 3m50 h SER 153 CO 0.04 -0.00 -0.41 0.74 -1.14 0.00 0.00 176.83 176.05 3m50 h THR 154 N 0.35 0.17 -0.85 -2.27 2.02 -1.06 0.35 112.91 111.61 3m50 h THR 154 Ca 0.48 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.83 3m50 h THR 154 Cb 0.84 0.17 -0.10 0.00 -1.74 0.00 0.00 68.15 67.31 3m50 h THR 154 CO -0.51 0.00 0.40 0.25 0.37 0.00 0.00 175.52 176.03 3m50 h LEU 155 N -0.96 0.42 -0.07 2.58 5.85 -0.30 -0.86 115.31 121.97 3m50 h LEU 155 Ca -0.07 0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.61 3m50 h LEU 155 Cb 0.80 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3m50 h LEU 155 CO 0.03 0.13 -0.76 0.71 -0.34 0.00 0.00 178.44 178.21 3m50 h THR 156 N 0.52 1.34 -0.00 1.05 1.35 -0.55 -0.45 112.91 116.16 3m50 h THR 156 Ca 0.49 -2.82 -0.00 0.00 -0.55 0.00 0.00 66.41 63.53 3m50 h THR 156 Cb 0.79 2.62 -0.00 0.00 -1.73 0.00 0.00 68.15 69.82 3m50 h THR 156 CO -0.42 0.75 -0.00 0.00 -0.25 0.00 0.00 175.52 175.59 3m50 h ALA 157 N 1.24 0.00 -0.45 6.62 0.00 -0.09 -2.68 119.26 123.90 3m50 h ALA 157 Ca -0.01 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3m50 h ALA 157 Cb 1.56 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 3m50 h ALA 157 CO 0.10 -0.27 0.09 1.88 0.00 0.00 0.00 179.25 181.04 3m50 h TYR 158 N -0.45 0.14 -0.31 0.00 0.05 -1.20 -0.33 116.97 114.87 3m50 h TYR 158 Ca 0.00 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.82 3m50 h TYR 158 Cb 0.45 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 3m50 h TYR 158 CO 0.08 0.00 0.19 -0.22 -1.05 0.00 0.00 178.16 177.16 3m50 h LYS 159 N 0.22 0.37 0.00 4.88 1.63 -1.04 1.35 116.57 123.98 3m50 h LYS 159 Ca 0.22 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.95 3m50 h LYS 159 Cb 0.28 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 3m50 h LYS 159 CO -0.29 0.25 -0.26 0.00 -3.45 0.00 0.00 179.45 175.70 3m50 h ALA 160 N 1.13 1.08 -0.08 5.00 0.00 -1.26 0.25 119.26 125.38 3m50 h ALA 160 Ca 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3m50 h ALA 160 Cb -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3m50 h ALA 160 CO -0.05 0.32 -0.05 0.00 0.00 0.00 0.00 179.25 179.48 3m50 h ALA 161 N 1.74 0.12 -0.53 0.00 0.00 0.35 -2.95 119.26 117.99 3m50 h ALA 161 Ca -0.00 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.75 3m50 h ALA 161 Cb 0.71 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 3m50 h ALA 161 CO 0.03 -0.11 0.12 0.37 0.00 0.00 0.00 179.25 179.66 3m50 h GLN 162 N -0.20 0.26 -0.96 0.00 4.15 0.33 0.10 115.11 118.79 3m50 h GLN 162 Ca 0.02 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.48 3m50 h GLN 162 Cb 0.50 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.07 3m50 h GLN 162 CO 0.01 0.17 0.62 -0.44 -1.93 0.00 0.00 178.83 177.27 3m50 h ASP 163 N 0.26 0.99 0.12 -0.69 3.32 -0.52 -1.02 116.42 118.87 3m50 h ASP 163 Ca 0.27 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 3m50 h ASP 163 Cb 0.37 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3m50 h ASP 163 CO -0.34 0.64 -0.06 0.40 -1.72 0.00 0.00 179.24 178.16 3m50 h ILE 164 N 1.12 0.99 -0.27 0.35 2.04 -0.96 -3.28 117.51 117.50 3m50 h ILE 164 Ca 0.41 -1.27 0.05 0.00 1.00 0.00 0.00 64.86 65.04 3m50 h ILE 164 Cb 0.16 1.69 -0.08 0.00 -0.74 0.00 0.00 36.82 37.86 3m50 h ILE 164 CO -0.16 0.27 -0.50 0.00 0.00 0.00 0.00 178.15 177.77 3m50 h ALA 165 N -0.20 -0.70 0.00 1.87 0.00 -0.76 0.16 119.26 119.64 3m50 h ALA 165 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3m50 h ALA 165 Cb 0.56 0.97 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3m50 h ALA 165 CO 0.03 -1.00 0.00 2.41 0.00 0.00 0.00 179.25 180.69 3m50 n THR 166 N -5.42 0.76 -0.00 0.00 -1.04 -0.41 -0.65 114.28 107.52 3m50 n THR 166 Ca -0.04 0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 3m50 n THR 166 Cb 0.36 -1.09 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 3m50 n THR 166 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3m50 n THR 167 N -1.24 0.00 0.00 12.58 5.66 0.37 -4.79 114.28 126.86 3m50 n THR 167 Ca 0.03 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 3m50 n THR 167 Cb 0.05 1.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 3m50 n THR 167 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3m50 n GLU 168 N -0.94 3.94 -4.01 1.09 -0.58 -0.09 -5.06 120.64 115.01 3m50 n GLU 168 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 3m50 n GLU 168 Cb 0.00 -0.56 -0.05 0.00 -0.57 0.00 0.00 31.44 30.25 3m50 n GLU 168 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3m50 s LEU 169 N -0.80 4.00 0.50 -4.62 1.43 0.17 -5.02 118.68 114.35 3m50 s LEU 169 Ca 0.00 0.08 -0.22 0.00 -1.03 0.00 0.00 54.13 52.96 3m50 s LEU 169 Cb 0.00 -2.65 -0.06 0.00 0.03 0.00 0.00 46.19 43.51 3m50 s LEU 169 CO 0.00 0.16 1.21 0.00 0.23 0.00 0.00 176.35 177.94 3m50 s ALA 170 N -1.47 2.85 -0.47 4.21 0.00 -1.26 -4.73 121.76 120.89 3m50 s ALA 170 Ca 0.31 1.01 0.20 0.00 0.00 0.00 0.00 51.96 53.48 3m50 s ALA 170 Cb -0.12 -3.43 0.93 0.00 0.00 0.00 0.00 23.12 20.50 3m50 s ALA 170 CO 0.24 -0.88 1.61 -2.30 0.00 0.00 0.00 175.76 174.43 3m50 n PRO 171 N -0.84 0.14 0.00 0.00 -0.02 -1.26 -1.20 135.00 131.81 3m50 n PRO 171 Ca 0.09 0.50 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 3m50 n PRO 171 Cb 0.48 -1.84 0.40 0.00 -0.02 0.00 0.00 33.50 32.52 3m50 n PRO 171 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3m50 n THR 172 N -2.11 0.00 -2.82 3.45 5.66 -1.26 -4.46 114.28 112.74 3m50 n THR 172 Ca 0.01 -0.30 -0.41 0.00 -3.05 0.00 0.00 64.05 60.30 3m50 n THR 172 Cb 0.13 0.75 -0.05 0.00 -1.55 0.00 0.00 70.33 69.62 3m50 n THR 172 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 3m50 s HIS 173 N -2.05 3.81 0.40 1.09 5.04 -0.34 -4.76 115.29 118.48 3m50 s HIS 173 Ca 0.34 1.71 0.16 0.00 -1.54 0.00 0.00 55.06 55.73 3m50 s HIS 173 Cb 0.21 -2.96 1.05 0.00 0.04 0.00 0.00 32.58 30.91 3m50 s HIS 173 CO 0.35 0.27 1.83 -1.35 -2.34 0.00 0.00 174.74 173.49 3m50 h PRO 174 N 5.41 0.43 0.11 2.88 0.11 -1.92 0.50 132.00 139.53 3m50 h PRO 174 Ca -0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3m50 h PRO 174 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3m50 h PRO 174 CO 0.71 0.29 -0.05 0.82 -0.21 0.00 0.00 178.00 179.55 3m50 h ILE 175 N 0.45 1.07 -0.93 4.15 1.08 -1.95 0.28 117.51 121.65 3m50 h ILE 175 Ca 0.51 -1.23 0.21 0.00 -0.39 0.00 0.00 64.86 63.95 3m50 h ILE 175 Cb 1.20 1.78 -0.07 0.00 -3.07 0.00 0.00 36.82 36.66 3m50 h ILE 175 CO -0.22 0.27 0.61 -0.09 -0.69 0.00 0.00 178.15 178.03 3m50 h ARG 176 N -0.78 0.44 0.18 2.37 2.43 -1.61 0.15 114.38 117.56 3m50 h ARG 176 Ca -0.02 -0.03 -0.35 0.00 -0.81 0.00 0.00 59.98 58.78 3m50 h ARG 176 Cb 0.56 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3m50 h ARG 176 CO 0.02 0.29 -1.77 -0.07 -1.51 0.00 0.00 179.97 176.93 3m50 h LEU 177 N 0.46 0.59 -0.55 3.80 3.38 -0.79 -2.35 115.31 119.84 3m50 h LEU 177 Ca 0.50 -0.92 -0.14 0.00 0.09 0.00 0.00 57.88 57.41 3m50 h LEU 177 Cb 1.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3m50 h LEU 177 CO -0.21 1.78 -0.33 1.23 0.09 0.00 0.00 178.44 181.00 3m50 h GLY 178 N 0.76 0.88 0.30 0.83 0.00 -0.13 -1.23 103.07 104.49 3m50 h GLY 178 Ca -0.35 -0.84 -0.00 0.00 0.00 0.00 0.00 47.33 46.13 3m50 h GLY 178 CO 0.17 0.76 -0.41 -2.00 0.00 0.00 0.00 176.54 175.06 3m50 h LEU 179 N 0.68 -1.16 -0.92 3.11 5.85 -0.71 -0.70 115.31 121.46 3m50 h LEU 179 Ca 0.07 0.10 0.24 0.00 0.84 0.00 0.00 57.88 59.13 3m50 h LEU 179 Cb 0.88 0.40 -0.13 0.00 0.37 0.00 0.00 40.66 42.18 3m50 h LEU 179 CO 0.08 -0.51 0.42 0.00 -0.34 0.00 0.00 178.44 178.09 3m50 h ALA 180 N -0.97 1.52 -0.51 1.25 0.00 -1.40 0.50 119.26 119.64 3m50 h ALA 180 Ca -0.04 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3m50 h ALA 180 Cb 0.67 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3m50 h ALA 180 CO -0.11 -0.37 0.25 1.25 0.00 0.00 0.00 179.25 180.28 3m50 h LEU 181 N 0.39 0.65 0.14 0.00 5.85 -0.58 -1.69 115.31 120.08 3m50 h LEU 181 Ca 0.59 -0.12 -0.28 0.00 0.84 0.00 0.00 57.88 58.91 3m50 h LEU 181 Cb 1.15 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.02 3m50 h LEU 181 CO -0.54 0.58 -1.28 0.78 -0.34 0.00 0.00 178.44 177.64 3m50 h ASN 182 N 0.67 0.52 -0.99 1.25 2.35 0.34 -3.02 115.58 116.70 3m50 h ASN 182 Ca 0.18 -0.54 0.12 0.00 -0.55 0.00 0.00 56.30 55.50 3m50 h ASN 182 Cb 0.10 -0.17 -0.08 0.00 0.05 0.00 0.00 38.32 38.22 3m50 h ASN 182 CO -0.02 1.42 0.63 0.15 -1.65 0.00 0.00 177.43 177.95 3m50 h PHE 183 N 0.10 1.12 0.00 1.19 3.04 -0.00 -1.34 116.94 121.04 3m50 h PHE 183 Ca -0.16 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.83 3m50 h PHE 183 Cb 2.00 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 40.15 3m50 h PHE 183 CO 0.08 0.45 -0.50 -1.13 -2.02 0.00 0.00 178.31 175.19 3m50 n SER 184 N -4.60 0.57 0.09 0.41 3.41 -0.64 -2.71 113.62 110.15 3m50 n SER 184 Ca 0.18 0.05 -0.07 0.00 -0.26 0.00 0.00 58.87 58.78 3m50 n SER 184 Cb 0.35 0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.37 3m50 n SER 184 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3m50 h VAL 185 N 0.00 1.57 0.50 -3.33 2.07 -1.19 -1.54 116.25 114.33 3m50 h VAL 185 Ca 0.00 -2.83 -0.02 0.00 0.82 0.00 0.00 66.70 64.67 3m50 h VAL 185 Cb 0.64 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 3m50 h VAL 185 CO 0.00 0.81 -0.36 0.15 0.02 0.00 0.00 177.57 178.20 3m50 h PHE 186 N 0.04 -0.96 -0.56 1.57 3.57 -1.08 0.45 116.94 119.98 3m50 h PHE 186 Ca -0.03 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.57 3m50 h PHE 186 Cb 1.53 0.35 -0.08 0.00 2.79 0.00 0.00 35.95 40.55 3m50 h PHE 186 CO 0.01 -0.53 0.11 1.88 -2.23 0.00 0.00 178.31 177.55 3m50 h TYR 187 N -0.84 0.17 -0.19 0.41 0.05 -1.55 0.99 116.97 116.00 3m50 h TYR 187 Ca -0.05 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.63 3m50 h TYR 187 Cb 0.70 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 3m50 h TYR 187 CO -0.14 -0.03 -0.44 -0.92 -1.05 0.00 0.00 178.16 175.58 3m50 h TYR 188 N 0.24 0.58 0.00 4.88 3.20 -0.38 0.12 116.97 125.60 3m50 h TYR 188 Ca 0.29 -0.17 -0.28 0.00 3.14 0.00 0.00 58.73 61.71 3m50 h TYR 188 Cb 0.42 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.52 3m50 h TYR 188 CO -0.25 0.84 -2.05 -1.91 -1.64 0.00 0.00 178.16 173.15 3m50 n GLU 189 N -4.01 0.74 -0.05 1.82 2.13 0.15 -3.79 120.64 117.63 3m50 n GLU 189 Ca -0.02 0.08 -0.03 0.00 0.66 0.00 0.00 57.16 57.86 3m50 n GLU 189 Cb 0.53 -1.37 -0.01 0.00 0.27 0.00 0.00 31.44 30.86 3m50 n GLU 189 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3m50 h ILE 190 N 0.00 0.00 0.00 6.31 1.08 0.88 -3.37 117.51 122.42 3m50 h ILE 190 Ca -0.41 -0.79 -0.01 0.00 -0.39 0.00 0.00 64.86 63.26 3m50 h ILE 190 Cb 1.71 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 3m50 h ILE 190 CO -0.04 0.00 -0.04 -0.07 -0.69 0.00 0.00 178.15 177.31 3m50 h LEU 191 N -0.79 0.00 2.23 1.44 3.38 -1.43 -3.46 115.31 116.68 3m50 h LEU 191 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 3m50 h LEU 191 Cb 0.29 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 3m50 h LEU 191 CO 0.00 0.04 -0.48 -3.20 0.09 0.00 0.00 178.44 174.89 3m50 n ASN 192 N -3.14 -5.72 -4.26 -0.43 2.85 0.32 -4.96 115.26 99.92 3m50 n ASN 192 Ca 0.01 0.17 -0.44 0.00 -0.11 0.00 0.00 54.58 54.21 3m50 n ASN 192 Cb 0.35 -4.84 -0.06 0.00 1.24 0.00 0.00 39.78 36.47 3m50 n ASN 192 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3m50 s SER 193 N -2.33 6.09 0.16 1.20 1.04 -0.73 -4.95 113.70 114.18 3m50 s SER 193 Ca 0.00 -2.20 -0.22 0.00 0.48 0.00 0.00 55.95 54.01 3m50 s SER 193 Cb 0.00 -2.11 0.05 0.00 0.10 0.00 0.00 66.02 64.06 3m50 s SER 193 CO 0.00 -0.67 1.62 -0.65 0.98 0.00 0.00 173.24 174.52 3m50 h PRO 194 N 8.23 -0.22 -0.57 4.02 0.11 -1.85 -2.82 132.00 138.91 3m50 h PRO 194 Ca -0.13 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.09 3m50 h PRO 194 Cb 1.06 0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.11 3m50 h PRO 194 CO 0.87 -0.15 -0.39 0.22 -0.21 0.00 0.00 178.00 178.34 3m50 h ASP 195 N -0.23 -1.35 -0.35 -2.05 1.82 -1.96 2.65 116.42 114.96 3m50 h ASP 195 Ca 0.16 0.23 0.10 0.00 -0.39 0.00 0.00 57.03 57.14 3m50 h ASP 195 Cb 0.48 0.63 -0.01 0.00 0.68 0.00 0.00 39.33 41.10 3m50 h ASP 195 CO -0.44 -0.33 0.30 -0.09 -1.61 0.00 0.00 179.24 177.07 3m50 h ARG 196 N -0.21 0.00 0.28 0.28 2.43 -1.91 -1.95 114.38 113.30 3m50 h ARG 196 Ca 0.20 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 3m50 h ARG 196 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3m50 h ARG 196 CO -0.67 0.00 -0.13 0.00 -1.51 0.00 0.00 179.97 177.65 3m50 h ALA 197 N 1.73 -0.37 -0.52 2.80 0.00 0.47 -2.35 119.26 121.01 3m50 h ALA 197 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3m50 h ALA 197 Cb 0.77 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3m50 h ALA 197 CO -0.00 -0.42 0.34 0.00 0.00 0.00 0.00 179.25 179.16 3m50 h ASN 199 N 0.71 0.73 -0.63 0.00 2.35 -1.44 0.49 115.58 117.79 3m50 h ASN 199 Ca 0.19 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.83 3m50 h ASN 199 Cb -0.06 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 3m50 h ASN 199 CO -0.04 0.53 0.05 0.25 -1.65 0.00 0.00 177.43 176.57 3m50 h LEU 200 N 0.85 1.06 0.04 1.61 6.46 -0.98 0.48 115.31 124.83 3m50 h LEU 200 Ca 0.23 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3m50 h LEU 200 Cb -0.10 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.55 3m50 h LEU 200 CO -0.05 1.08 -0.02 0.00 -0.62 0.00 0.00 178.44 178.83 3m50 h ALA 201 N 1.03 -0.05 -0.63 1.25 0.00 -0.64 -1.41 119.26 118.81 3m50 h ALA 201 Ca 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3m50 h ALA 201 Cb 0.51 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3m50 h ALA 201 CO 0.02 -0.41 0.36 -0.22 0.00 0.00 0.00 179.25 179.00 3m50 h LYS 202 N -0.29 0.87 -0.45 0.00 3.64 0.13 -0.15 116.57 120.32 3m50 h LYS 202 Ca -0.01 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3m50 h LYS 202 Cb 0.27 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3m50 h LYS 202 CO 0.01 0.65 0.22 0.37 -2.27 0.00 0.00 179.45 178.43 3m50 h GLN 203 N 0.86 0.65 -0.17 1.90 5.75 -0.80 0.32 115.11 123.61 3m50 h GLN 203 Ca 0.22 -0.10 -0.12 0.00 -0.15 0.00 0.00 58.65 58.51 3m50 h GLN 203 Cb 0.02 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 3m50 h GLN 203 CO -0.04 0.56 -0.41 0.00 -2.65 0.00 0.00 178.83 176.29 3m50 h ALA 204 N 1.06 0.99 0.18 3.38 0.00 -0.29 -2.57 119.26 122.01 3m50 h ALA 204 Ca 0.16 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3m50 h ALA 204 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3m50 h ALA 204 CO -0.02 0.62 -0.09 0.35 0.00 0.00 0.00 179.25 180.11 3m50 h PHE 205 N 0.32 -0.23 -0.99 0.00 3.57 -0.69 -2.83 116.94 116.10 3m50 h PHE 205 Ca 0.03 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.57 3m50 h PHE 205 Cb 0.86 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.61 3m50 h PHE 205 CO 0.02 0.04 0.64 -0.44 -2.23 0.00 0.00 178.31 176.35 3m50 h ASP 206 N -0.49 1.06 0.20 0.41 3.32 -0.79 -0.49 116.42 119.64 3m50 h ASP 206 Ca -0.03 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3m50 h ASP 206 Cb 0.37 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3m50 h ASP 206 CO 0.04 0.71 -0.11 -1.84 -1.72 0.00 0.00 179.24 176.32 3m50 n GLU 207 N -4.47 0.99 -0.02 3.56 0.28 -0.98 -0.67 120.64 119.33 3m50 n GLU 207 Ca 0.14 -0.45 -0.16 0.00 -0.16 0.00 0.00 57.16 56.53 3m50 n GLU 207 Cb 0.12 -1.49 -0.10 0.00 1.43 0.00 0.00 31.44 31.41 3m50 n GLU 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3m50 h ALA 208 N 3.85 0.13 -0.46 -1.84 0.00 -1.00 -3.31 119.26 116.62 3m50 h ALA 208 Ca 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 54.91 54.49 3m50 h ALA 208 Cb 0.39 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 3m50 h ALA 208 CO 0.00 0.30 0.06 0.82 0.00 0.00 0.00 179.25 180.43 3m50 h ILE 209 N -0.06 0.71 0.00 0.00 1.08 -0.25 0.35 117.51 119.33 3m50 h ILE 209 Ca -0.04 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3m50 h ILE 209 Cb 1.13 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 3m50 h ILE 209 CO 0.09 0.03 0.21 0.00 -0.69 0.00 0.00 178.15 177.80 3m50 n ALA 210 N -2.54 0.60 -2.04 1.87 0.00 0.16 -1.78 120.51 116.77 3m50 n ALA 210 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3m50 n ALA 210 Cb 0.23 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3m50 n ALA 210 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3m50 n GLU 211 N -1.35 0.00 0.23 0.00 2.13 0.11 -4.79 120.64 116.97 3m50 n GLU 211 Ca -0.00 -1.04 0.16 0.00 0.66 0.00 0.00 57.16 56.94 3m50 n GLU 211 Cb 0.21 -0.43 0.79 0.00 0.27 0.00 0.00 31.44 32.28 3m50 n GLU 211 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3m50 h LEU 212 N 0.09 0.00 -0.37 4.31 6.46 -0.50 -3.48 115.31 121.81 3m50 h LEU 212 Ca -0.02 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 3m50 h LEU 212 Cb 1.43 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.36 3m50 h LEU 212 CO 0.01 0.00 0.00 0.47 -0.62 0.00 0.00 178.44 178.30 3m50 n ASP 213 N -2.65 0.00 -0.77 1.25 9.92 -1.26 -5.12 116.55 117.92 3m50 n ASP 213 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 3m50 n ASP 213 Cb 0.13 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 3m50 n ASP 213 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3m50 n TYR 220 N 0.00 -0.64 -0.48 1.24 4.01 -1.26 -5.24 117.16 114.78 3m50 n TYR 220 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3m50 n TYR 220 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3m50 n TYR 220 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3m50 n LYS 221 N 0.00 0.00 0.00 -0.72 0.00 -1.26 -4.21 118.16 111.97 3m50 n LYS 221 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3m50 n LYS 221 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 35.03 31.85 3m50 n LYS 221 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3m50 n ASP 222 N 0.00 4.41 -0.04 3.14 8.00 -1.26 -4.49 116.55 126.30 3m50 n ASP 222 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 3m50 n ASP 222 Cb 0.00 0.39 -0.09 0.00 -0.02 0.00 0.00 41.12 41.40 3m50 n ASP 222 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3m50 h SER 223 N 0.00 0.36 -0.16 -2.24 0.02 -1.86 -2.63 113.55 107.04 3m50 h SER 223 Ca 0.00 -0.58 0.03 0.00 -0.84 0.00 0.00 61.79 60.40 3m50 h SER 223 Cb 0.91 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 3m50 h SER 223 CO 0.00 0.87 0.00 0.71 -1.14 0.00 0.00 176.83 177.27 3m50 h THR 224 N -0.14 0.89 -0.15 -2.27 1.35 -1.85 -0.06 112.91 110.67 3m50 h THR 224 Ca -0.00 -0.02 0.05 0.00 -0.55 0.00 0.00 66.41 65.89 3m50 h THR 224 Cb 0.82 0.83 -0.06 0.00 -1.73 0.00 0.00 68.15 68.01 3m50 h THR 224 CO 0.05 0.01 -0.23 0.25 -0.25 0.00 0.00 175.52 175.35 3m50 h LEU 225 N 0.06 -0.72 -0.15 3.87 6.46 -1.78 -2.66 115.31 120.39 3m50 h LEU 225 Ca 0.08 0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.96 3m50 h LEU 225 Cb 0.09 0.32 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 3m50 h LEU 225 CO -0.13 -0.28 0.09 0.40 -0.62 0.00 0.00 178.44 177.90 3m50 h ILE 226 N -0.28 1.02 -1.10 4.05 2.04 -0.74 0.64 117.51 123.13 3m50 h ILE 226 Ca 0.11 -0.06 0.30 0.00 1.00 0.00 0.00 64.86 66.21 3m50 h ILE 226 Cb 0.44 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 3m50 h ILE 226 CO -0.31 0.03 0.75 0.24 0.00 0.00 0.00 178.15 178.86 3m50 h MET 227 N 0.19 0.21 -0.00 2.37 2.86 -0.96 0.38 114.93 119.97 3m50 h MET 227 Ca 0.06 -0.01 -0.22 0.00 -2.06 0.00 0.00 59.70 57.47 3m50 h MET 227 Cb -0.01 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 3m50 h MET 227 CO -0.03 0.14 -0.92 1.96 1.06 0.00 0.00 176.91 179.12 3m50 h GLN 228 N 0.21 0.36 -0.54 1.72 4.20 0.60 -2.70 115.11 118.96 3m50 h GLN 228 Ca 0.59 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 3m50 h GLN 228 Cb 1.86 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 29.72 3m50 h GLN 228 CO -0.18 1.06 0.15 -0.07 -0.67 0.00 0.00 178.83 179.12 3m50 h LEU 229 N 0.20 0.75 0.34 1.46 4.07 0.03 0.69 115.31 122.86 3m50 h LEU 229 Ca -0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.75 3m50 h LEU 229 Cb 1.55 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 43.10 3m50 h LEU 229 CO 0.15 0.73 -0.16 -0.07 -1.08 0.00 0.00 178.44 178.01 3m50 h LEU 230 N 0.79 -0.39 -0.57 1.67 3.38 -1.07 -0.51 115.31 118.60 3m50 h LEU 230 Ca 0.18 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.26 3m50 h LEU 230 Cb 0.26 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 3m50 h LEU 230 CO -0.01 -0.26 0.03 -0.09 0.09 0.00 0.00 178.44 178.21 3m50 h ARG 231 N -0.48 0.15 -0.69 1.13 9.65 -1.23 -0.06 114.38 122.84 3m50 h ARG 231 Ca -0.05 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.76 3m50 h ARG 231 Cb 0.36 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.88 3m50 h ARG 231 CO 0.08 0.10 0.19 -0.44 2.80 0.00 0.00 179.97 182.69 3m50 h ASP 232 N 0.15 1.02 0.01 -3.80 3.32 -0.64 -1.85 116.42 114.63 3m50 h ASP 232 Ca 0.30 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3m50 h ASP 232 Cb 0.46 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3m50 h ASP 232 CO -0.46 0.97 -0.00 0.78 -1.72 0.00 0.00 179.24 178.81 3m50 h ASN 233 N 1.04 -0.01 -0.22 6.45 2.35 0.05 -2.06 115.58 123.18 3m50 h ASN 233 Ca 0.22 -0.04 0.05 0.00 -0.55 0.00 0.00 56.30 55.98 3m50 h ASN 233 Cb 0.33 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.65 3m50 h ASN 233 CO -0.00 0.04 -0.14 -0.07 -1.65 0.00 0.00 177.43 175.61 3m50 h LEU 234 N -0.05 -0.45 -1.78 1.61 -0.00 -0.85 0.54 115.31 114.34 3m50 h LEU 234 Ca -0.00 0.10 -0.03 0.00 -0.00 0.00 0.00 57.88 57.95 3m50 h LEU 234 Cb 0.05 0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 40.94 3m50 h LEU 234 CO 0.00 -0.18 -0.12 0.71 -0.00 0.00 0.00 178.44 178.85 3m50 h THR 235 N -0.13 0.46 0.00 0.22 1.35 -1.26 0.05 112.91 113.60 3m50 h THR 235 Ca 0.12 -0.62 -0.23 0.00 -0.55 0.00 0.00 66.41 65.14 3m50 h THR 235 Cb 0.31 1.43 -0.04 0.00 -1.73 0.00 0.00 68.15 68.12 3m50 h THR 235 CO -0.30 0.12 -1.19 0.25 -0.25 0.00 0.00 175.52 174.15 3m50 h LEU 236 N 0.00 0.00 0.00 3.87 5.85 -0.45 -2.95 115.31 121.63 3m50 h LEU 236 Ca -0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 3m50 h LEU 236 Cb 0.42 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3m50 h LEU 236 CO 0.02 0.98 -0.75 -0.50 -0.34 0.00 0.00 178.44 177.85 3m50 h TRP 237 N 0.00 0.00 -0.17 1.25 6.55 0.86 -3.22 115.95 121.22 3m50 h TRP 237 Ca -0.09 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.60 3m50 h TRP 237 Cb 1.83 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 30.12 3m50 h TRP 237 CO 0.00 0.56 -0.53 1.15 -1.05 0.00 0.00 178.44 178.56 3m50 h THR 238 N 0.00 1.33 -0.00 1.49 2.02 -1.10 -3.31 112.91 113.33 3m50 h THR 238 Ca -0.04 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.36 3m50 h THR 238 Cb 1.46 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 3m50 h THR 238 CO 0.07 0.55 -0.10 -1.20 0.37 0.00 0.00 175.52 175.20 3m50 n SER 239 N -3.96 0.26 0.00 4.18 7.64 -1.12 -5.10 113.62 115.53 3m50 n SER 239 Ca -0.03 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.64 3m50 n SER 239 Cb 0.59 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 3m50 n SER 239 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50