#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbd n VAL 10 N 0.00 0.03 -4.20 2.53 3.14 -1.26 -4.99 118.33 113.58 2wbd n VAL 10 Ca 0.00 -0.01 -0.18 0.00 -2.96 0.00 0.00 64.34 61.19 2wbd n VAL 10 Cb 0.00 -1.36 -0.12 0.00 -1.06 0.00 0.00 33.84 31.30 2wbd n VAL 10 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2wbd s ASN 11 N 1.00 1.52 0.32 6.55 3.84 -1.26 -5.06 114.94 121.84 2wbd s ASN 11 Ca 0.81 -0.55 0.07 0.00 0.21 0.00 0.00 52.86 53.41 2wbd s ASN 11 Cb -0.76 -0.05 -0.06 0.00 -0.55 0.00 0.00 41.25 39.82 2wbd s ASN 11 CO 0.41 -0.06 -0.05 0.42 -2.79 0.00 0.00 177.10 175.03 2wbd s THR 12 N -1.14 1.85 0.16 -5.21 -4.23 -1.26 -0.98 115.64 104.83 2wbd s THR 12 Ca -0.02 -2.13 -0.16 0.00 -1.18 0.00 0.00 61.69 58.20 2wbd s THR 12 Cb -0.09 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.15 2wbd s THR 12 CO 0.02 -0.20 1.78 0.25 -0.54 0.00 0.00 174.62 175.93 2wbd h LEU 13 N 2.11 0.30 0.53 4.79 5.85 -1.68 0.17 115.31 127.39 2wbd h LEU 13 Ca -0.41 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 2wbd h LEU 13 Cb 1.24 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2wbd h LEU 13 CO 0.70 0.22 -0.41 0.74 -0.34 0.00 0.00 178.44 179.34 2wbd h THR 14 N 0.40 0.16 -0.70 1.05 2.02 -1.96 -0.38 112.91 113.50 2wbd h THR 14 Ca 0.16 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.36 2wbd h THR 14 Cb 0.05 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 2wbd h THR 14 CO -0.10 0.00 0.45 -0.09 0.37 0.00 0.00 175.52 176.15 2wbd h ARG 15 N -0.92 0.85 -0.53 6.66 2.43 -1.95 -1.35 114.38 119.57 2wbd h ARG 15 Ca -0.06 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.15 2wbd h ARG 15 Cb 0.78 -0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 30.07 2wbd h ARG 15 CO 0.00 0.56 0.09 0.35 -1.51 0.00 0.00 179.97 179.47 2wbd h PHE 16 N 0.88 0.14 -0.03 2.20 3.04 -0.31 -0.51 116.94 122.34 2wbd h PHE 16 Ca 0.28 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 62.07 2wbd h PHE 16 Cb -0.00 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 2wbd h PHE 16 CO -0.04 -0.03 -0.80 0.28 -2.02 0.00 0.00 178.31 175.70 2wbd h VAL 17 N 0.22 1.42 -0.23 1.41 2.07 -0.69 -2.04 116.25 118.40 2wbd h VAL 17 Ca 0.27 -2.33 -0.10 0.00 0.82 0.00 0.00 66.70 65.35 2wbd h VAL 17 Cb 0.38 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2wbd h VAL 17 CO -0.36 0.69 -0.30 0.24 0.02 0.00 0.00 177.57 177.86 2wbd h MET 18 N 0.20 0.47 0.08 1.57 2.86 -0.94 -0.50 114.93 118.67 2wbd h MET 18 Ca -0.04 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2wbd h MET 18 Cb 1.40 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.04 2wbd h MET 18 CO 0.13 0.72 -0.04 1.49 1.06 0.00 0.00 176.91 180.27 2wbd h GLU 19 N 0.40 -0.11 -0.72 1.72 4.81 -0.95 -2.35 114.58 117.39 2wbd h GLU 19 Ca 0.05 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2wbd h GLU 19 Cb 0.72 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 2wbd h GLU 19 CO 0.06 0.16 0.23 0.93 -0.73 0.00 0.00 179.01 179.66 2wbd h GLU 20 N -0.38 1.12 -0.54 1.92 4.39 -1.31 -2.81 114.58 116.97 2wbd h GLU 20 Ca -0.01 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.41 2wbd h GLU 20 Cb 0.32 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2wbd h GLU 20 CO 0.02 0.95 0.19 0.78 -1.16 0.00 0.00 179.01 179.79 2wbd h GLY 21 N 1.06 0.89 1.35 -3.84 0.00 -1.10 -2.33 103.07 99.11 2wbd h GLY 21 Ca 0.23 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 2wbd h GLY 21 CO -0.01 0.48 -0.18 3.21 0.00 0.00 0.00 176.54 180.04 2wbd h ARG 22 N 0.75 0.75 -0.67 4.80 3.08 -1.41 -1.37 114.38 120.31 2wbd h ARG 22 Ca 0.18 -0.28 0.10 0.00 0.07 0.00 0.00 59.98 60.05 2wbd h ARG 22 Cb 0.25 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.17 2wbd h ARG 22 CO -0.01 0.88 0.28 0.87 -1.07 0.00 0.00 179.97 180.93 2wbd h LYS 23 N 0.67 0.46 -0.00 0.04 1.57 -1.22 -1.68 116.57 116.41 2wbd h LYS 23 Ca 0.10 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2wbd h LYS 23 Cb 0.67 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2wbd h LYS 23 CO 0.05 0.31 -0.08 0.00 -0.57 0.00 0.00 179.45 179.15 2wbd n ALA 24 N -2.46 2.58 -3.01 3.86 0.00 -0.90 -4.92 120.51 115.66 2wbd n ALA 24 Ca 0.11 -0.16 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 2wbd n ALA 24 Cb 0.31 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 2wbd n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wbd n ARG 25 N -1.40 -2.95 -1.37 0.00 1.74 -0.54 -4.97 116.66 107.17 2wbd n ARG 25 Ca 0.09 0.47 -0.30 0.00 -0.77 0.00 0.00 57.85 57.34 2wbd n ARG 25 Cb 0.31 -5.12 0.23 0.00 -1.02 0.00 0.00 32.46 26.86 2wbd n ARG 25 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2wbd s GLY 26 N -2.44 1.66 0.30 -0.13 0.00 -1.14 -4.96 107.32 100.60 2wbd s GLY 26 Ca 0.24 -1.09 0.26 0.00 0.00 0.00 0.00 44.72 44.13 2wbd s GLY 26 CO 0.30 -0.22 1.76 -0.91 0.00 0.00 0.00 173.10 174.03 2wbd h THR 27 N -2.31 0.00 0.00 0.90 1.35 -1.93 -3.47 112.91 107.45 2wbd h THR 27 Ca -0.44 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 2wbd h THR 27 Cb 1.27 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 2wbd h THR 27 CO 0.33 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 2wbd n GLY 28 N 0.70 3.18 0.40 5.82 0.00 -1.26 -5.00 105.19 109.03 2wbd n GLY 28 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2wbd n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wbd h GLU 29 N 2.15 -0.31 -0.69 1.61 5.08 -1.98 -1.27 114.58 119.17 2wbd h GLU 29 Ca 0.00 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2wbd h GLU 29 Cb 0.00 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 2wbd h GLU 29 CO 0.00 -0.21 0.30 1.25 -1.00 0.00 0.00 179.01 179.36 2wbd h LEU 30 N -0.32 0.35 -0.45 1.33 5.85 -1.94 0.12 115.31 120.25 2wbd h LEU 30 Ca 0.14 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.01 2wbd h LEU 30 Cb 0.58 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 2wbd h LEU 30 CO -0.58 0.18 0.07 0.74 -0.34 0.00 0.00 178.44 178.51 2wbd h THR 31 N 0.50 0.74 -0.85 1.05 2.02 -1.68 0.59 112.91 115.28 2wbd h THR 31 Ca 0.35 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.44 2wbd h THR 31 Cb 0.44 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 2wbd h THR 31 CO -0.32 0.04 0.41 1.56 0.37 0.00 0.00 175.52 177.58 2wbd h GLN 32 N 0.20 1.22 0.14 6.66 4.20 0.21 -1.74 115.11 126.00 2wbd h GLN 32 Ca 0.22 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2wbd h GLN 32 Cb 0.29 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2wbd h GLN 32 CO -0.31 0.93 -0.12 1.25 -0.67 0.00 0.00 178.83 179.92 2wbd h LEU 33 N 1.20 -0.30 -0.45 1.46 6.46 -0.27 -1.09 115.31 122.32 2wbd h LEU 33 Ca 0.29 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 58.04 2wbd h LEU 33 Cb 0.11 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 2wbd h LEU 33 CO -0.04 -0.18 0.12 -0.07 -0.62 0.00 0.00 178.44 177.65 2wbd h LEU 34 N -0.27 0.67 -0.01 2.25 3.38 -0.45 -0.95 115.31 119.93 2wbd h LEU 34 Ca -0.00 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2wbd h LEU 34 Cb 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2wbd h LEU 34 CO -0.01 0.72 -0.08 -1.13 0.09 0.00 0.00 178.44 178.03 2wbd h ASN 35 N 0.59 -0.22 -0.58 -0.43 -1.24 -1.34 0.18 115.58 112.54 2wbd h ASN 35 Ca 0.14 0.04 0.12 0.00 0.71 0.00 0.00 56.30 57.31 2wbd h ASN 35 Cb 0.30 0.10 -0.11 0.00 0.73 0.00 0.00 38.32 39.34 2wbd h ASN 35 CO -0.00 -0.11 -0.17 0.28 -1.29 0.00 0.00 177.43 176.14 2wbd h SER 36 N -0.13 -0.62 -0.59 1.15 0.02 -0.83 -0.58 113.55 111.98 2wbd h SER 36 Ca 0.04 0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 2wbd h SER 36 Cb 0.17 0.39 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 2wbd h SER 36 CO -0.09 -0.21 0.11 0.25 -1.14 0.00 0.00 176.83 175.74 2wbd h LEU 37 N -0.03 0.95 0.01 5.07 5.85 -0.57 -1.94 115.31 124.66 2wbd h LEU 37 Ca 0.28 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2wbd h LEU 37 Cb 0.45 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2wbd h LEU 37 CO -0.61 0.94 -0.00 0.00 -0.34 0.00 0.00 178.44 178.42 2wbd h THR 39 N -0.02 0.98 -0.86 0.00 2.02 -0.75 -1.07 112.91 113.22 2wbd h THR 39 Ca -0.00 -0.28 0.06 0.00 0.77 0.00 0.00 66.41 66.96 2wbd h THR 39 Cb 0.01 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 66.46 2wbd h THR 39 CO 0.00 0.15 0.56 0.00 0.37 0.00 0.00 175.52 176.60 2wbd h ALA 40 N 1.39 1.57 -0.34 6.16 0.00 -0.72 -2.31 119.26 125.01 2wbd h ALA 40 Ca 0.35 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 2wbd h ALA 40 Cb 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wbd h ALA 40 CO -0.19 0.30 -0.24 0.28 0.00 0.00 0.00 179.25 179.40 2wbd h VAL 41 N 0.95 1.29 -0.46 0.00 2.07 -0.09 0.13 116.25 120.15 2wbd h VAL 41 Ca 0.37 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 2wbd h VAL 41 Cb 0.22 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2wbd h VAL 41 CO -0.13 0.45 0.28 0.11 0.02 0.00 0.00 177.57 178.30 2wbd h LYS 42 N 0.55 0.62 -0.81 1.57 1.57 -1.17 0.27 116.57 119.16 2wbd h LYS 42 Ca 0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2wbd h LYS 42 Cb 0.80 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 2wbd h LYS 42 CO 0.06 0.44 0.45 0.00 -0.57 0.00 0.00 179.45 179.84 2wbd h ALA 43 N 1.14 1.04 -0.53 3.86 0.00 -1.22 0.22 119.26 123.77 2wbd h ALA 43 Ca 0.16 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2wbd h ALA 43 Cb -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2wbd h ALA 43 CO -0.03 0.54 -0.07 0.82 0.00 0.00 0.00 179.25 180.52 2wbd h ILE 44 N 1.12 1.26 -0.21 0.00 2.04 -0.37 -2.66 117.51 118.71 2wbd h ILE 44 Ca 0.29 -1.18 -0.17 0.00 1.00 0.00 0.00 64.86 64.79 2wbd h ILE 44 Cb 0.03 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2wbd h ILE 44 CO -0.05 0.42 -0.58 -1.28 0.00 0.00 0.00 178.15 176.67 2wbd h SER 45 N 0.86 0.73 -0.31 1.72 0.87 0.01 -0.47 113.55 116.96 2wbd h SER 45 Ca 0.15 -0.40 -0.08 0.00 -1.23 0.00 0.00 61.79 60.22 2wbd h SER 45 Cb 0.60 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2wbd h SER 45 CO 0.04 1.15 -0.08 -1.28 -0.53 0.00 0.00 176.83 176.13 2wbd h SER 46 N 0.49 0.69 0.62 6.23 0.87 -0.84 -1.69 113.55 119.91 2wbd h SER 46 Ca 0.00 -0.18 -0.21 0.00 -1.23 0.00 0.00 61.79 60.17 2wbd h SER 46 Cb 1.15 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 2wbd h SER 46 CO 0.11 0.80 -0.93 0.00 -0.53 0.00 0.00 176.83 176.29 2wbd h ALA 47 N 1.27 0.45 -0.41 6.23 0.00 -1.08 -2.44 119.26 123.28 2wbd h ALA 47 Ca 0.12 -0.76 -0.09 0.00 0.00 0.00 0.00 54.91 54.18 2wbd h ALA 47 Cb 0.52 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2wbd h ALA 47 CO 0.03 0.95 -0.11 0.28 0.00 0.00 0.00 179.25 180.39 2wbd h VAL 48 N 0.10 1.25 -0.00 0.00 2.07 -0.88 -1.41 116.25 117.38 2wbd h VAL 48 Ca -0.05 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2wbd h VAL 48 Cb 1.59 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2wbd h VAL 48 CO 0.14 0.39 -0.00 0.54 0.02 0.00 0.00 177.57 178.66 2wbd n ARG 49 N -4.17 1.00 -1.63 1.57 3.00 -0.66 -4.91 116.66 110.86 2wbd n ARG 49 Ca 0.01 -0.08 -0.05 0.00 -0.01 0.00 0.00 57.85 57.72 2wbd n ARG 49 Cb 0.36 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.31 2wbd n ARG 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wbd n LYS 50 N -0.93 -0.38 -1.60 5.56 4.76 -0.53 -4.97 118.16 120.06 2wbd n LYS 50 Ca 0.23 0.46 -0.49 0.00 -2.87 0.00 0.00 58.31 55.63 2wbd n LYS 50 Cb 0.14 -4.21 -0.05 0.00 -1.84 0.00 0.00 35.03 29.08 2wbd n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wbd n ALA 51 N -0.10 -0.44 -0.78 7.82 0.00 -0.93 -1.76 120.51 124.31 2wbd n ALA 51 Ca -0.06 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2wbd n ALA 51 Cb 0.36 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2wbd n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wbd n GLY 52 N 2.39 0.78 0.33 0.00 0.00 -1.26 -4.86 105.19 102.57 2wbd n GLY 52 Ca 0.16 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.34 2wbd n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2wbd h ILE 53 N 0.00 0.76 -0.96 -0.61 2.10 -1.75 -1.58 117.51 115.47 2wbd h ILE 53 Ca 0.00 0.00 0.11 0.00 1.08 0.00 0.00 64.86 66.05 2wbd h ILE 53 Cb 0.00 0.84 -0.08 0.00 -1.09 0.00 0.00 36.82 36.49 2wbd h ILE 53 CO 0.00 0.00 0.61 0.00 -1.08 0.00 0.00 178.15 177.68 2wbd h ALA 54 N 1.83 1.58 -0.49 0.18 0.00 -1.91 0.38 119.26 120.82 2wbd h ALA 54 Ca 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2wbd h ALA 54 Cb 0.58 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2wbd h ALA 54 CO -0.00 0.19 0.12 0.45 0.00 0.00 0.00 179.25 180.01 2wbd h HIS 55 N 0.94 0.77 -0.31 0.00 3.86 -1.69 -2.49 115.15 116.22 2wbd h HIS 55 Ca 0.46 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.55 2wbd h HIS 55 Cb 0.47 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 2wbd h HIS 55 CO -0.00 0.65 -0.08 -0.07 0.86 0.00 0.00 177.93 179.29 2wbd h LEU 56 N 0.73 0.49 -1.64 2.43 3.38 -1.02 -2.76 115.31 116.92 2wbd h LEU 56 Ca 0.16 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wbd h LEU 56 Cb 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2wbd h LEU 56 CO -0.00 0.61 0.00 -1.22 0.09 0.00 0.00 178.44 177.92 2wbd n TYR 57 N -4.23 0.66 -2.19 1.13 4.02 -0.97 -4.93 117.16 110.65 2wbd n TYR 57 Ca 0.01 -0.28 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 2wbd n TYR 57 Cb 0.29 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 2wbd n TYR 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wbd n GLY 58 N 0.86 0.95 0.18 2.72 0.00 -1.04 -4.99 105.19 103.87 2wbd n GLY 58 Ca 0.13 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2wbd n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2wbd h ILE 59 N 0.00 1.30 -0.56 -0.61 2.10 -1.67 -2.99 117.51 115.09 2wbd h ILE 59 Ca 0.00 -1.45 -0.21 0.00 1.08 0.00 0.00 64.86 64.28 2wbd h ILE 59 Cb 0.88 1.73 -0.12 0.00 -1.09 0.00 0.00 36.82 38.22 2wbd h ILE 59 CO 0.00 0.42 0.17 0.00 -1.08 0.00 0.00 178.15 177.66 2wbd n ALA 60 N -2.47 4.32 0.00 0.18 0.00 -1.26 -5.07 120.51 116.21 2wbd n ALA 60 Ca -0.02 -2.66 0.00 0.00 0.00 0.00 0.00 53.44 50.76 2wbd n ALA 60 Cb 0.45 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2wbd n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wbd n GLY 61 N -0.68 3.69 0.00 0.00 0.00 -1.13 -5.20 105.19 101.87 2wbd n GLY 61 Ca 0.37 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2wbd n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wbd n LYS 72 N 0.00 0.00 -0.27 1.61 4.76 -1.26 -4.82 118.16 118.18 2wbd n LYS 72 Ca 0.00 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 2wbd n LYS 72 Cb 0.00 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.24 2wbd n LYS 72 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2wbd h LEU 73 N 0.00 1.04 -0.75 -0.35 5.85 -2.00 0.13 115.31 119.23 2wbd h LEU 73 Ca 0.00 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 2wbd h LEU 73 Cb 0.00 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 2wbd h LEU 73 CO 0.00 0.94 0.24 -2.24 -0.34 0.00 0.00 178.44 177.04 2wbd h ASP 74 N 1.07 1.10 -0.20 1.25 2.03 -1.95 -0.57 116.42 119.16 2wbd h ASP 74 Ca 0.24 -0.21 -0.02 0.00 -0.73 0.00 0.00 57.03 56.31 2wbd h ASP 74 Cb 0.24 -0.29 -0.01 0.00 -0.83 0.00 0.00 39.33 38.45 2wbd h ASP 74 CO -0.02 1.01 0.03 0.58 -1.03 0.00 0.00 179.24 179.81 2wbd h VAL 75 N 1.12 1.23 0.03 4.15 2.07 -1.93 -2.07 116.25 120.85 2wbd h VAL 75 Ca 0.24 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 67.03 2wbd h VAL 75 Cb 0.31 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2wbd h VAL 75 CO -0.01 0.23 -0.19 0.25 0.02 0.00 0.00 177.57 177.87 2wbd h LEU 76 N 0.12 -0.56 -1.01 2.57 5.85 -0.64 -1.00 115.31 120.64 2wbd h LEU 76 Ca 0.06 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2wbd h LEU 76 Cb 0.33 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 2wbd h LEU 76 CO 0.00 -0.26 0.63 0.28 -0.34 0.00 0.00 178.44 178.75 2wbd h SER 77 N -0.33 1.14 -0.64 1.25 0.02 -1.12 0.12 113.55 113.99 2wbd h SER 77 Ca 0.05 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2wbd h SER 77 Cb 0.39 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 2wbd h SER 77 CO -0.16 0.84 0.32 -1.13 -1.14 0.00 0.00 176.83 175.56 2wbd h ASN 78 N 1.33 0.83 -0.40 3.07 -1.24 -1.16 -2.12 115.58 115.90 2wbd h ASN 78 Ca 0.36 -0.12 -0.08 0.00 0.71 0.00 0.00 56.30 57.17 2wbd h ASN 78 Cb -0.13 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.69 2wbd h ASN 78 CO -0.07 0.71 -0.03 0.44 -1.29 0.00 0.00 177.43 177.19 2wbd h ASP 79 N 0.88 0.78 -0.38 1.15 3.32 -0.26 -0.35 116.42 121.57 2wbd h ASP 79 Ca 0.22 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 2wbd h ASP 79 Cb 0.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2wbd h ASP 79 CO -0.03 0.87 -0.18 -0.07 -1.72 0.00 0.00 179.24 178.10 2wbd h LEU 80 N 0.75 0.81 -0.01 1.55 3.38 -0.70 0.10 115.31 121.19 2wbd h LEU 80 Ca 0.14 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2wbd h LEU 80 Cb 0.50 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2wbd h LEU 80 CO 0.03 1.04 -0.05 0.58 0.09 0.00 0.00 178.44 180.12 2wbd h VAL 81 N 0.59 1.50 0.17 1.22 2.07 -1.29 -1.23 116.25 119.27 2wbd h VAL 81 Ca 0.08 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.09 2wbd h VAL 81 Cb 0.73 2.49 -0.04 0.00 -1.52 0.00 0.00 31.29 32.95 2wbd h VAL 81 CO 0.06 0.41 -0.41 0.24 0.02 0.00 0.00 177.57 177.88 2wbd h MET 82 N -0.55 -0.65 -0.60 1.57 2.86 -1.05 -1.53 114.93 114.97 2wbd h MET 82 Ca -0.00 0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 2wbd h MET 82 Cb 0.69 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 2wbd h MET 82 CO 0.01 -0.44 0.16 -0.97 1.06 0.00 0.00 176.91 176.73 2wbd h ASN 83 N -0.68 0.86 0.46 1.22 -1.24 -1.01 -1.53 115.58 113.65 2wbd h ASN 83 Ca 0.01 -0.16 -0.14 0.00 0.71 0.00 0.00 56.30 56.73 2wbd h ASN 83 Cb 0.68 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 2wbd h ASN 83 CO -0.21 0.83 -0.61 0.24 -1.29 0.00 0.00 177.43 176.39 2wbd h MET 84 N 0.89 0.15 0.07 6.67 2.86 -1.02 -2.42 114.93 122.12 2wbd h MET 84 Ca 0.19 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2wbd h MET 84 Cb 0.30 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2wbd h MET 84 CO -0.00 0.71 -0.03 -0.07 1.06 0.00 0.00 176.91 178.57 2wbd h LEU 85 N 0.11 -0.08 -0.67 1.22 3.38 -1.07 -2.81 115.31 115.38 2wbd h LEU 85 Ca -0.01 -0.53 0.12 0.00 0.09 0.00 0.00 57.88 57.55 2wbd h LEU 85 Cb 1.10 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.74 2wbd h LEU 85 CO 0.09 0.55 -0.28 0.11 0.09 0.00 0.00 178.44 179.00 2wbd h LYS 86 N -0.76 -0.08 0.00 1.13 1.57 -1.30 0.85 116.57 117.97 2wbd h LYS 86 Ca -0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wbd h LYS 86 Cb 0.61 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2wbd h LYS 86 CO 0.02 -0.06 0.00 -1.13 -0.57 0.00 0.00 179.45 177.71 2wbd n SER 87 N -5.46 0.00 0.05 0.86 3.41 -0.91 -3.06 113.62 108.51 2wbd n SER 87 Ca 0.07 -1.54 0.13 0.00 -0.26 0.00 0.00 58.87 57.27 2wbd n SER 87 Cb 0.37 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.73 2wbd n SER 87 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2wbd n SER 88 N -0.69 0.48 -1.71 4.04 3.41 0.29 -4.91 113.62 114.53 2wbd n SER 88 Ca 0.08 0.37 -0.20 0.00 -0.26 0.00 0.00 58.87 58.86 2wbd n SER 88 Cb 0.04 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.52 2wbd n SER 88 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2wbd n PHE 89 N -1.88 -0.18 0.09 7.33 3.01 -1.17 -4.79 117.46 119.87 2wbd n PHE 89 Ca 0.06 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.53 2wbd n PHE 89 Cb 0.39 -3.49 0.03 0.00 -0.01 0.00 0.00 39.48 36.39 2wbd n PHE 89 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wbd n ALA 90 N 0.81 2.37 -2.26 4.37 0.00 -1.26 -3.71 120.51 120.83 2wbd n ALA 90 Ca -0.21 -0.68 -0.14 0.00 0.00 0.00 0.00 53.44 52.41 2wbd n ALA 90 Cb 0.67 -0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 2wbd n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wbd s THR 91 N -0.51 1.17 0.00 0.00 -4.23 -1.26 -1.50 115.64 109.31 2wbd s THR 91 Ca 0.05 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 2wbd s THR 91 Cb 0.03 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.98 2wbd s THR 91 CO 0.05 -0.71 0.00 0.00 -0.54 0.00 0.00 174.62 173.41 2wbd s VAL 93 N -1.21 1.35 -0.12 0.00 1.01 -1.24 -1.17 120.40 119.02 2wbd s VAL 93 Ca 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.42 2wbd s VAL 93 Cb 0.00 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.16 2wbd s VAL 93 CO 0.00 0.41 -0.21 -0.76 0.00 0.00 0.00 175.10 174.54 2wbd s LEU 94 N 0.80 2.01 -0.12 3.92 1.43 0.10 -1.31 118.68 125.52 2wbd s LEU 94 Ca -0.11 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 2wbd s LEU 94 Cb -0.16 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 2wbd s LEU 94 CO 0.02 0.08 -0.15 -0.69 0.23 0.00 0.00 176.35 175.84 2wbd s VAL 95 N 0.75 2.85 0.03 -1.59 1.01 0.21 0.72 120.40 124.38 2wbd s VAL 95 Ca -0.10 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.19 2wbd s VAL 95 Cb -0.16 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2wbd s VAL 95 CO 0.01 0.53 -0.14 -0.55 0.00 0.00 0.00 175.10 174.95 2wbd s SER 96 N 0.31 1.69 0.29 3.32 0.15 -1.26 -0.12 113.70 118.09 2wbd s SER 96 Ca -0.12 -0.40 0.04 0.00 0.70 0.00 0.00 55.95 56.17 2wbd s SER 96 Cb -0.16 -0.13 0.72 0.00 -1.71 0.00 0.00 66.02 64.73 2wbd s SER 96 CO 0.06 0.08 1.74 -0.08 1.20 0.00 0.00 173.24 176.24 2wbd h GLU 97 N 5.18 0.55 0.00 5.44 4.22 -1.60 -2.32 114.58 126.04 2wbd h GLU 97 Ca -0.37 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.04 2wbd h GLU 97 Cb 1.17 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2wbd h GLU 97 CO 0.45 0.36 0.00 0.93 -2.18 0.00 0.00 179.01 178.58 2wbd h GLU 98 N 0.57 0.00 -6.02 1.92 4.39 -1.95 -3.45 114.58 110.04 2wbd h GLU 98 Ca 0.56 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.58 2wbd h GLU 98 Cb 0.97 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.39 2wbd h GLU 98 CO -0.45 0.00 -0.74 -0.51 -1.16 0.00 0.00 179.01 176.16 2wbd s ASP 99 N -5.04 4.29 0.09 1.42 1.01 -0.88 -5.03 116.67 112.53 2wbd s ASP 99 Ca 0.06 -0.15 -0.31 0.00 0.71 0.00 0.00 52.55 52.86 2wbd s ASP 99 Cb 0.09 -1.15 -0.14 0.00 1.01 0.00 0.00 42.92 42.73 2wbd s ASP 99 CO 0.54 0.31 1.63 0.50 0.21 0.00 0.00 175.17 178.35 2wbd h LYS 100 N 5.64 -0.69 -6.25 8.23 1.63 -1.87 -3.42 116.57 119.84 2wbd h LYS 100 Ca -0.43 0.05 -0.47 0.00 -0.85 0.00 0.00 60.65 58.95 2wbd h LYS 100 Cb 1.17 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.94 2wbd h LYS 100 CO 0.53 -0.46 -0.36 -1.01 -3.45 0.00 0.00 179.45 174.70 2wbd s HIS 101 N -6.04 2.79 0.35 1.91 3.76 -1.26 -4.96 115.29 111.85 2wbd s HIS 101 Ca -0.17 -0.42 -0.26 0.00 -0.15 0.00 0.00 55.06 54.07 2wbd s HIS 101 Cb 0.05 -2.15 -0.09 0.00 1.11 0.00 0.00 32.58 31.50 2wbd s HIS 101 CO 0.63 -0.13 1.04 0.00 -0.85 0.00 0.00 174.74 175.43 2wbd s ALA 102 N -2.39 3.20 -0.10 -1.40 0.00 -1.26 -4.77 121.76 115.03 2wbd s ALA 102 Ca 0.48 0.72 -0.17 0.00 0.00 0.00 0.00 51.96 52.99 2wbd s ALA 102 Cb -0.06 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 2wbd s ALA 102 CO 0.29 -0.12 0.46 0.42 0.00 0.00 0.00 175.76 176.81 2wbd s ILE 103 N -1.50 5.16 -0.29 0.00 -1.09 0.22 -4.91 121.20 118.79 2wbd s ILE 103 Ca 0.52 0.92 -0.08 0.00 -2.23 0.00 0.00 60.65 59.78 2wbd s ILE 103 Cb -0.24 -3.80 -0.01 0.00 -1.58 0.00 0.00 42.46 36.83 2wbd s ILE 103 CO 0.31 0.37 0.12 -0.63 -1.23 0.00 0.00 174.94 173.88 2wbd s ILE 104 N 0.33 4.40 0.32 2.92 -1.09 -1.26 0.02 121.20 126.84 2wbd s ILE 104 Ca 0.25 -0.42 -0.29 0.00 -2.23 0.00 0.00 60.65 57.96 2wbd s ILE 104 Cb -0.15 -3.21 -0.12 0.00 -1.58 0.00 0.00 42.46 37.40 2wbd s ILE 104 CO 0.11 0.13 1.52 0.52 -1.23 0.00 0.00 174.94 175.99 2wbd n VAL 105 N 4.94 1.37 -1.73 2.92 0.31 -0.32 -4.95 118.33 120.89 2wbd n VAL 105 Ca -0.14 -0.34 -0.42 0.00 -0.01 0.00 0.00 64.34 63.42 2wbd n VAL 105 Cb 0.49 -1.89 -0.01 0.00 -0.91 0.00 0.00 33.84 31.53 2wbd n VAL 105 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wbd n GLU 106 N 1.52 2.36 -0.30 5.55 1.02 -1.26 -4.73 120.64 124.81 2wbd n GLU 106 Ca 0.06 0.83 0.13 0.00 -0.02 0.00 0.00 57.16 58.16 2wbd n GLU 106 Cb 0.37 -2.49 0.29 0.00 -0.02 0.00 0.00 31.44 29.58 2wbd n GLU 106 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2wbd h PRO 107 N 3.09 0.25 0.00 3.49 0.11 -1.99 0.24 132.00 137.20 2wbd h PRO 107 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wbd h PRO 107 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wbd h PRO 107 CO 0.66 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.77 2wbd n GLU 108 N -5.18 0.37 -0.09 1.05 0.00 -1.26 -2.46 120.64 113.07 2wbd n GLU 108 Ca 0.21 0.06 0.04 0.00 0.00 0.00 0.00 57.16 57.47 2wbd n GLU 108 Cb 0.66 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.69 2wbd n GLU 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wbd n LYS 109 N -1.26 2.26 -2.67 3.44 5.02 0.83 -5.04 118.16 120.74 2wbd n LYS 109 Ca 0.12 -1.67 -0.40 0.00 -2.02 0.00 0.00 58.31 54.34 2wbd n LYS 109 Cb 0.18 -1.18 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 2wbd n LYS 109 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wbd s ARG 110 N -0.92 4.75 0.00 1.97 0.52 -1.03 -4.28 118.95 119.96 2wbd s ARG 110 Ca 0.14 1.56 0.00 0.00 -0.52 0.00 0.00 55.73 56.91 2wbd s ARG 110 Cb 0.08 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.26 2wbd s ARG 110 CO 0.11 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.17 2wbd n GLY 111 N 1.71 5.71 0.27 -3.53 0.00 -0.46 -4.78 105.19 104.10 2wbd n GLY 111 Ca -0.00 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.32 2wbd n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wbd n LYS 112 N 0.00 0.77 -4.16 1.61 2.85 -1.16 -3.91 118.16 114.17 2wbd n LYS 112 Ca 0.00 -0.54 -0.29 0.00 -1.05 0.00 0.00 58.31 56.43 2wbd n LYS 112 Cb 0.00 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 32.81 2wbd n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2wbd s TYR 113 N -2.60 2.92 -0.15 5.58 2.02 -0.56 -1.69 117.35 122.88 2wbd s TYR 113 Ca 0.20 -0.07 -0.06 0.00 -0.37 0.00 0.00 57.07 56.77 2wbd s TYR 113 Cb 0.18 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 2wbd s TYR 113 CO 0.59 0.48 0.05 0.08 -1.57 0.00 0.00 175.55 175.17 2wbd s VAL 114 N -1.38 4.70 -0.11 0.71 1.01 0.92 -0.91 120.40 125.34 2wbd s VAL 114 Ca 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2wbd s VAL 114 Cb -0.11 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.22 2wbd s VAL 114 CO 0.18 0.52 -0.12 -0.69 0.00 0.00 0.00 175.10 174.99 2wbd s VAL 115 N -0.13 1.25 -0.20 2.92 1.01 -0.42 -0.06 120.40 124.76 2wbd s VAL 115 Ca 0.07 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 2wbd s VAL 115 Cb -0.12 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2wbd s VAL 115 CO 0.01 0.40 0.01 0.00 0.00 0.00 0.00 175.10 175.52 2wbd s PHE 117 N 0.96 -0.05 -0.33 0.00 -0.71 0.83 -0.63 117.98 118.06 2wbd s PHE 117 Ca 0.02 -0.04 -0.02 0.00 -1.04 0.00 0.00 56.93 55.85 2wbd s PHE 117 Cb -0.14 0.03 0.06 0.00 -1.21 0.00 0.00 43.02 41.76 2wbd s PHE 117 CO 0.02 -0.40 0.05 0.34 -1.34 0.00 0.00 175.22 173.89 2wbd s ASP 118 N -1.72 5.00 0.27 1.98 -1.08 0.42 -1.33 116.67 120.22 2wbd s ASP 118 Ca -0.09 -1.47 0.04 0.00 -0.52 0.00 0.00 52.55 50.51 2wbd s ASP 118 Cb -0.04 -1.74 0.39 0.00 -1.46 0.00 0.00 42.92 40.07 2wbd s ASP 118 CO -0.00 -0.33 1.67 1.55 0.52 0.00 0.00 175.17 178.58 2wbd h PRO 119 N 8.01 0.33 -2.17 4.34 0.13 -1.86 -1.36 132.00 139.41 2wbd h PRO 119 Ca -0.19 -0.16 -0.44 0.00 -0.87 0.00 0.00 66.00 64.35 2wbd h PRO 119 Cb 1.06 -0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.85 2wbd h PRO 119 CO 0.57 0.69 -0.74 -1.17 -0.23 0.00 0.00 178.00 177.12 2wbd s LEU 120 N -8.32 0.27 0.22 1.56 2.96 -1.25 -4.22 118.68 109.90 2wbd s LEU 120 Ca -0.05 -1.75 -0.30 0.00 -0.22 0.00 0.00 54.13 51.80 2wbd s LEU 120 Cb 0.13 0.24 -0.08 0.00 0.50 0.00 0.00 46.19 46.98 2wbd s LEU 120 CO 0.79 -0.28 1.05 -0.62 -1.32 0.00 0.00 176.35 175.96 2wbd s ASP 121 N 1.34 7.39 0.00 3.68 2.15 0.91 -2.86 116.67 129.28 2wbd s ASP 121 Ca 0.17 2.08 0.00 0.00 0.43 0.00 0.00 52.55 55.23 2wbd s ASP 121 Cb -0.18 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 2wbd s ASP 121 CO -0.03 -0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 2wbd n GLY 122 N 1.66 0.44 0.35 2.66 0.00 -1.26 -1.64 105.19 107.39 2wbd n GLY 122 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2wbd n GLY 122 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wbd h SER 123 N 0.00 0.00 -0.83 1.61 4.64 -1.88 -0.80 113.55 116.28 2wbd h SER 123 Ca 0.00 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.48 2wbd h SER 123 Cb 0.17 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.16 2wbd h SER 123 CO 0.00 0.00 0.38 -1.28 -0.87 0.00 0.00 176.83 175.06 2wbd h SER 124 N 0.00 0.40 -0.54 4.97 0.87 -1.91 -2.79 113.55 114.55 2wbd h SER 124 Ca 0.09 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2wbd h SER 124 Cb 0.60 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2wbd h SER 124 CO -0.00 0.13 0.00 0.59 -0.53 0.00 0.00 176.83 177.02 2wbd n ASN 125 N -4.95 5.12 0.24 6.23 5.03 -0.31 -4.63 115.26 121.99 2wbd n ASN 125 Ca 0.17 -2.79 0.17 0.00 0.87 0.00 0.00 54.58 52.99 2wbd n ASN 125 Cb 0.48 -0.62 0.81 0.00 -1.02 0.00 0.00 39.78 39.43 2wbd n ASN 125 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 2wbd h ILE 126 N 3.62 0.00 -0.42 2.41 2.10 -1.50 -2.58 117.51 121.13 2wbd h ILE 126 Ca 0.00 -0.15 0.07 0.00 1.08 0.00 0.00 64.86 65.86 2wbd h ILE 126 Cb 1.72 0.96 -0.02 0.00 -1.09 0.00 0.00 36.82 38.39 2wbd h ILE 126 CO 0.37 0.00 0.28 0.44 -1.08 0.00 0.00 178.15 178.16 2wbd h ASP 127 N 0.00 0.24 -0.53 2.19 3.32 -1.84 0.09 116.42 119.89 2wbd h ASP 127 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wbd h ASP 127 Cb 0.17 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2wbd h ASP 127 CO 0.00 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 177.68 2wbd n LEU 129 N 1.23 -2.56 -4.77 0.00 4.77 0.02 -4.98 117.00 110.71 2wbd n LEU 129 Ca 0.20 -0.47 -0.36 0.00 -0.03 0.00 0.00 56.01 55.35 2wbd n LEU 129 Cb 0.51 -2.72 0.00 0.00 -2.33 0.00 0.00 43.42 38.88 2wbd n LEU 129 CO 0.14 0.35 0.81 0.54 -1.33 0.00 0.00 177.39 177.90 2wbd s VAL 130 N -3.18 3.06 0.20 4.08 0.11 -1.26 -4.95 120.40 118.47 2wbd s VAL 130 Ca 0.46 0.70 -0.31 0.00 -2.93 0.00 0.00 61.98 59.90 2wbd s VAL 130 Cb -0.22 -3.30 -0.15 0.00 -1.53 0.00 0.00 36.38 31.17 2wbd s VAL 130 CO 0.57 -0.11 1.11 -1.20 -3.33 0.00 0.00 175.10 172.14 2wbd n SER 131 N -1.11 1.26 -4.68 3.54 7.64 -1.26 -4.79 113.62 114.21 2wbd n SER 131 Ca 0.11 1.15 -0.26 0.00 1.01 0.00 0.00 58.87 60.87 2wbd n SER 131 Cb 0.50 -1.23 -0.09 0.00 -1.01 0.00 0.00 64.21 62.38 2wbd n SER 131 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2wbd s VAL 132 N -0.43 2.17 0.25 0.44 -7.23 -1.13 -4.85 120.40 109.62 2wbd s VAL 132 Ca 0.69 -1.85 -0.16 0.00 -1.81 0.00 0.00 61.98 58.84 2wbd s VAL 132 Cb -0.82 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.14 2wbd s VAL 132 CO 0.54 -0.01 0.57 -0.83 -0.31 0.00 0.00 175.10 175.06 2wbd s GLY 133 N -3.80 0.20 -0.10 2.32 0.00 -0.65 -0.92 107.32 104.36 2wbd s GLY 133 Ca 0.38 -0.56 0.02 0.00 0.00 0.00 0.00 44.72 44.56 2wbd s GLY 133 CO 0.20 -0.38 -0.15 -1.59 0.00 0.00 0.00 173.10 171.19 2wbd s THR 134 N -3.96 2.92 -0.06 0.90 2.01 -0.52 0.31 115.64 117.25 2wbd s THR 134 Ca 0.16 -0.73 0.05 0.00 0.31 0.00 0.00 61.69 61.49 2wbd s THR 134 Cb -0.02 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 2wbd s THR 134 CO 0.06 0.55 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.68 2wbd s ILE 135 N 0.02 2.31 0.07 1.82 1.01 -0.51 -0.88 121.20 125.03 2wbd s ILE 135 Ca -0.05 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.64 2wbd s ILE 135 Cb -0.14 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 2wbd s ILE 135 CO 0.04 0.57 -0.08 0.72 0.00 0.00 0.00 174.94 176.20 2wbd s PHE 136 N -0.29 0.80 -0.08 3.97 -0.71 0.21 -0.43 117.98 121.44 2wbd s PHE 136 Ca 0.01 -0.65 -0.04 0.00 -1.04 0.00 0.00 56.93 55.21 2wbd s PHE 136 Cb -0.13 -0.47 0.05 0.00 -1.21 0.00 0.00 43.02 41.26 2wbd s PHE 136 CO 0.02 -0.09 0.18 0.20 -1.34 0.00 0.00 175.22 174.19 2wbd s GLY 137 N -2.15 -0.03 -0.20 1.99 0.00 0.20 -1.79 107.32 105.34 2wbd s GLY 137 Ca -0.01 0.71 -0.03 0.00 0.00 0.00 0.00 44.72 45.39 2wbd s GLY 137 CO -0.01 1.36 -0.07 -0.42 0.00 0.00 0.00 173.10 173.96 2wbd s ILE 138 N 1.69 3.30 0.18 0.90 1.01 0.32 -1.27 121.20 127.34 2wbd s ILE 138 Ca -0.04 -0.53 0.08 0.00 0.00 0.00 0.00 60.65 60.16 2wbd s ILE 138 Cb -0.12 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2wbd s ILE 138 CO -0.07 0.45 -0.06 -0.31 0.00 0.00 0.00 174.94 174.95 2wbd s TYR 139 N 1.15 2.70 -0.04 3.97 2.02 0.91 -0.50 117.35 127.56 2wbd s TYR 139 Ca 0.02 -0.20 -0.25 0.00 -0.37 0.00 0.00 57.07 56.27 2wbd s TYR 139 Cb -0.14 -1.31 -0.04 0.00 -0.40 0.00 0.00 41.96 40.07 2wbd s TYR 139 CO -0.01 0.52 0.78 0.50 -1.57 0.00 0.00 175.55 175.77 2wbd s ARG 140 N -2.90 4.47 0.33 -0.62 3.00 -1.26 -0.06 118.95 121.92 2wbd s ARG 140 Ca 0.26 1.04 -0.29 0.00 -1.00 0.00 0.00 55.73 55.74 2wbd s ARG 140 Cb -0.09 -3.45 -0.11 0.00 0.00 0.00 0.00 34.95 31.30 2wbd s ARG 140 CO 0.16 0.04 1.56 0.21 0.00 0.00 0.00 175.30 177.27 2wbd s LYS 141 N 0.83 4.11 -0.11 5.12 2.20 -0.68 -4.81 119.74 126.39 2wbd s LYS 141 Ca 0.42 2.59 0.07 0.00 -0.36 0.00 0.00 55.97 58.68 2wbd s LYS 141 Cb -0.19 -3.00 -0.24 0.00 -1.51 0.00 0.00 37.83 32.90 2wbd s LYS 141 CO 0.21 -0.60 0.39 1.63 -0.36 0.00 0.00 175.35 176.62 2wbd n LYS 142 N 1.44 0.68 -4.37 4.03 4.76 -1.26 -4.97 118.16 118.47 2wbd n LYS 142 Ca 0.05 0.22 -0.26 0.00 -2.87 0.00 0.00 58.31 55.46 2wbd n LYS 142 Cb 0.38 -1.70 -0.09 0.00 -1.84 0.00 0.00 35.03 31.78 2wbd n LYS 142 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2wbd s SER 143 N -6.31 4.14 0.00 4.39 1.04 -1.26 -5.02 113.70 110.67 2wbd s SER 143 Ca -0.14 -1.13 0.12 0.00 0.48 0.00 0.00 55.95 55.27 2wbd s SER 143 Cb 0.07 -0.47 0.37 0.00 0.10 0.00 0.00 66.02 66.10 2wbd s SER 143 CO 0.79 -0.38 1.29 0.35 0.98 0.00 0.00 173.24 176.27 2wbd n THR 144 N -1.03 0.37 -1.06 2.02 -2.24 -1.26 -4.95 114.28 106.13 2wbd n THR 144 Ca -0.04 -0.40 -0.34 0.00 -2.27 0.00 0.00 64.05 61.01 2wbd n THR 144 Cb 0.64 0.22 0.11 0.00 -2.10 0.00 0.00 70.33 69.20 2wbd n THR 144 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wbd n ASP 145 N 0.37 -0.73 -4.67 3.42 9.92 -1.26 -4.92 116.55 118.68 2wbd n ASP 145 Ca 0.11 0.51 -0.47 0.00 -0.53 0.00 0.00 54.79 54.41 2wbd n ASP 145 Cb 0.27 -1.31 -0.04 0.00 -0.64 0.00 0.00 41.12 39.39 2wbd n ASP 145 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2wbd n GLU 146 N -1.89 2.11 -1.82 -1.24 4.07 -1.26 -4.89 120.64 115.72 2wbd n GLU 146 Ca 0.10 0.77 -0.42 0.00 -0.06 0.00 0.00 57.16 57.55 2wbd n GLU 146 Cb 0.51 -2.56 -0.02 0.00 -0.06 0.00 0.00 31.44 29.31 2wbd n GLU 146 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2wbd s PRO 147 N 2.05 4.15 0.31 5.31 0.04 -1.26 -5.01 135.00 140.60 2wbd s PRO 147 Ca 0.84 2.52 -0.02 0.00 0.04 0.00 0.00 61.00 64.38 2wbd s PRO 147 Cb -0.70 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 30.76 2wbd s PRO 147 CO 0.43 -0.64 0.40 -1.54 0.04 0.00 0.00 177.00 175.69 2wbd s SER 148 N 0.81 0.78 0.45 6.66 1.04 -1.26 -4.99 113.70 117.19 2wbd s SER 148 Ca 0.68 -1.43 0.20 0.00 0.48 0.00 0.00 55.95 55.87 2wbd s SER 148 Cb -0.47 0.60 1.16 0.00 0.10 0.00 0.00 66.02 67.41 2wbd s SER 148 CO 0.39 -1.18 1.88 -0.33 0.98 0.00 0.00 173.24 174.99 2wbd h GLU 149 N 2.20 0.31 -0.01 4.02 5.08 -1.95 -2.52 114.58 121.72 2wbd h GLU 149 Ca -0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2wbd h GLU 149 Cb 1.24 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2wbd h GLU 149 CO 0.40 0.20 0.01 0.87 -1.00 0.00 0.00 179.01 179.50 2wbd h LYS 150 N 0.32 0.00 0.00 2.33 1.57 -1.98 -1.35 116.57 117.46 2wbd h LYS 150 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2wbd h LYS 150 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2wbd h LYS 150 CO -0.13 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.50 2wbd n ASP 151 N -4.17 0.54 -0.02 0.86 8.00 -0.95 -1.79 116.55 119.02 2wbd n ASP 151 Ca -0.03 0.70 0.11 0.00 0.71 0.00 0.00 54.79 56.29 2wbd n ASP 151 Cb 0.10 -0.79 0.03 0.00 -0.02 0.00 0.00 41.12 40.43 2wbd n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wbd n ALA 152 N -1.75 4.26 -1.47 2.24 0.00 -0.51 -4.56 120.51 118.73 2wbd n ALA 152 Ca 0.00 -0.51 -0.28 0.00 0.00 0.00 0.00 53.44 52.65 2wbd n ALA 152 Cb 0.10 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 2wbd n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wbd n LEU 153 N -1.43 6.88 -4.85 0.00 4.77 -0.74 -4.90 117.00 116.73 2wbd n LEU 153 Ca 0.05 -4.10 -0.34 0.00 -0.03 0.00 0.00 56.01 51.59 2wbd n LEU 153 Cb 0.34 -1.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.02 2wbd n LEU 153 CO 0.39 1.85 -0.20 -1.10 -1.33 0.00 0.00 177.39 177.01 2wbd s GLN 154 N -0.42 3.30 0.49 3.23 -0.21 -1.26 -4.48 119.66 120.31 2wbd s GLN 154 Ca 0.61 -0.34 -0.24 0.00 0.02 0.00 0.00 55.36 55.42 2wbd s GLN 154 Cb 0.29 -3.03 -0.07 0.00 1.00 0.00 0.00 33.01 31.20 2wbd s GLN 154 CO -0.12 0.69 1.34 -0.35 -2.12 0.00 0.00 175.29 174.73 2wbd n PRO 155 N 1.29 1.89 0.18 2.91 -0.04 -1.26 -4.61 135.00 135.35 2wbd n PRO 155 Ca -0.14 0.68 0.18 0.00 -0.04 0.00 0.00 63.50 64.18 2wbd n PRO 155 Cb 0.53 -2.52 0.73 0.00 -0.04 0.00 0.00 33.50 32.20 2wbd n PRO 155 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2wbd h GLY 156 N 1.81 0.00 1.79 0.55 0.00 -1.61 -0.92 103.07 104.69 2wbd h GLY 156 Ca -0.50 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.85 2wbd h GLY 156 CO 0.59 0.00 0.08 3.21 0.00 0.00 0.00 176.54 180.42 2wbd h ARG 157 N 0.00 0.00 -0.00 4.80 2.47 -1.70 -2.01 114.38 117.94 2wbd h ARG 157 Ca 0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2wbd h ARG 157 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 2wbd h ARG 157 CO -0.00 0.00 -0.04 0.09 0.56 0.00 0.00 179.97 180.58 2wbd n ASN 158 N -3.89 0.33 -4.63 7.04 4.13 -0.35 -4.92 115.26 112.97 2wbd n ASN 158 Ca -0.01 -0.70 -0.44 0.00 1.68 0.00 0.00 54.58 55.11 2wbd n ASN 158 Cb 0.18 -0.09 -0.01 0.00 -1.54 0.00 0.00 39.78 38.32 2wbd n ASN 158 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2wbd n LEU 159 N -0.93 2.39 -0.08 3.41 4.77 -0.76 -4.61 117.00 121.18 2wbd n LEU 159 Ca 0.18 1.18 -0.19 0.00 -0.03 0.00 0.00 56.01 57.15 2wbd n LEU 159 Cb 0.23 -1.35 -0.13 0.00 -2.33 0.00 0.00 43.42 39.84 2wbd n LEU 159 CO 0.21 -1.07 -1.15 0.52 -1.33 0.00 0.00 177.39 174.57 2wbd n VAL 160 N 0.40 1.59 -3.59 4.08 0.31 0.34 -5.01 118.33 116.44 2wbd n VAL 160 Ca 0.08 -0.61 -0.14 0.00 -0.01 0.00 0.00 64.34 63.66 2wbd n VAL 160 Cb 0.33 -1.49 -0.06 0.00 -0.91 0.00 0.00 33.84 31.72 2wbd n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wbd s ALA 161 N -2.53 -1.30 0.23 3.52 0.00 -1.18 -4.54 121.76 115.94 2wbd s ALA 161 Ca -0.29 0.62 -0.19 0.00 0.00 0.00 0.00 51.96 52.09 2wbd s ALA 161 Cb 0.08 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.56 2wbd s ALA 161 CO 0.67 -0.48 0.61 0.00 0.00 0.00 0.00 175.76 176.56 2wbd s ALA 162 N -2.28 -1.08 0.00 0.00 0.00 -0.60 -0.52 121.76 117.28 2wbd s ALA 162 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2wbd s ALA 162 Cb -0.01 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.99 2wbd s ALA 162 CO -0.00 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.27 2wbd n GLY 163 N -0.40 -0.48 3.39 0.00 0.00 -0.74 -0.37 105.19 106.59 2wbd n GLY 163 Ca -0.08 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 2wbd n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wbd s TYR 164 N -3.95 -0.41 -0.20 1.61 -0.85 -0.77 -0.62 117.35 112.16 2wbd s TYR 164 Ca 0.00 0.35 -0.04 0.00 -0.52 0.00 0.00 57.07 56.86 2wbd s TYR 164 Cb 0.00 0.38 -0.02 0.00 0.38 0.00 0.00 41.96 42.70 2wbd s TYR 164 CO 0.00 -0.70 -0.03 0.00 -1.52 0.00 0.00 175.55 173.30 2wbd s ALA 165 N -2.96 2.91 -0.31 9.51 0.00 -0.06 0.12 121.76 130.97 2wbd s ALA 165 Ca -0.02 -1.03 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 2wbd s ALA 165 Cb -0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.41 2wbd s ALA 165 CO -0.06 -0.18 0.36 -1.17 0.00 0.00 0.00 175.76 174.71 2wbd s LEU 166 N 1.06 4.26 -1.10 0.00 2.96 0.86 -1.44 118.68 125.26 2wbd s LEU 166 Ca 0.01 -0.02 -0.11 0.00 -0.22 0.00 0.00 54.13 53.79 2wbd s LEU 166 Cb -0.15 -2.36 0.23 0.00 0.50 0.00 0.00 46.19 44.42 2wbd s LEU 166 CO 0.01 -0.26 1.17 -0.31 -1.32 0.00 0.00 176.35 175.63 2wbd s TYR 167 N 2.03 3.94 0.00 5.38 2.02 -0.10 -1.75 117.35 128.88 2wbd s TYR 167 Ca 0.13 -2.40 0.00 0.00 -0.37 0.00 0.00 57.07 54.43 2wbd s TYR 167 Cb -0.16 -4.00 0.00 0.00 -0.40 0.00 0.00 41.96 37.40 2wbd s TYR 167 CO 0.11 -1.11 0.00 0.41 -1.57 0.00 0.00 175.55 173.39 2wbd n GLY 168 N 3.38 2.17 0.20 0.71 0.00 -1.26 -2.82 105.19 107.56 2wbd n GLY 168 Ca 0.27 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.04 2wbd n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wbd h SER 169 N 0.00 0.00 -5.01 1.61 4.64 -2.00 -3.43 113.55 109.37 2wbd h SER 169 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 2wbd h SER 169 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 2wbd h SER 169 CO 0.00 0.35 -0.64 0.00 -0.87 0.00 0.00 176.83 175.66 2wbd s ALA 170 N -3.80 1.20 -0.24 5.18 0.00 -1.26 -5.14 121.76 117.71 2wbd s ALA 170 Ca -0.01 -1.61 -0.15 0.00 0.00 0.00 0.00 51.96 50.20 2wbd s ALA 170 Cb 0.12 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 24.07 2wbd s ALA 170 CO 0.68 -0.44 0.35 0.99 0.00 0.00 0.00 175.76 177.34 2wbd s THR 171 N -3.89 5.21 0.04 0.00 2.01 -1.26 -4.51 115.64 113.24 2wbd s THR 171 Ca 0.28 0.57 0.07 0.00 0.31 0.00 0.00 61.69 62.92 2wbd s THR 171 Cb 0.07 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 2wbd s THR 171 CO 0.06 0.22 -0.19 -0.32 -0.69 0.00 0.00 174.62 173.70 2wbd s MET 172 N 1.60 1.30 -0.20 4.92 -2.45 -0.72 -0.76 119.30 122.99 2wbd s MET 172 Ca 0.16 -0.88 -0.01 0.00 -1.25 0.00 0.00 55.69 53.70 2wbd s MET 172 Cb -0.15 -1.39 0.01 0.00 1.25 0.00 0.00 34.83 34.55 2wbd s MET 172 CO 0.08 0.35 -0.13 -1.17 1.05 0.00 0.00 175.02 175.21 2wbd s LEU 173 N -1.11 2.51 -0.24 4.11 0.20 0.12 -0.10 118.68 124.17 2wbd s LEU 173 Ca 0.06 -0.57 -0.07 0.00 0.69 0.00 0.00 54.13 54.24 2wbd s LEU 173 Cb -0.08 -1.59 -0.03 0.00 -0.43 0.00 0.00 46.19 44.05 2wbd s LEU 173 CO 0.01 -0.02 0.07 -0.69 -0.29 0.00 0.00 176.35 175.44 2wbd s VAL 174 N 1.37 4.36 -0.14 1.68 1.01 0.12 -0.49 120.40 128.30 2wbd s VAL 174 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2wbd s VAL 174 Cb -0.14 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.22 2wbd s VAL 174 CO -0.09 0.35 -0.21 -0.22 0.00 0.00 0.00 175.10 174.93 2wbd s LEU 175 N 1.46 2.13 -0.13 3.92 2.96 0.16 -1.84 118.68 127.34 2wbd s LEU 175 Ca 0.06 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 2wbd s LEU 175 Cb -0.15 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 2wbd s LEU 175 CO 0.04 0.07 -0.08 0.00 -1.32 0.00 0.00 176.35 175.06 2wbd s ALA 176 N 0.86 2.84 0.00 5.97 0.00 0.50 -0.57 121.76 131.36 2wbd s ALA 176 Ca -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2wbd s ALA 176 Cb -0.15 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.60 2wbd s ALA 176 CO -0.03 0.28 0.00 -1.33 0.00 0.00 0.00 175.76 174.69 2wbd n MET 177 N 3.32 0.09 -0.20 0.00 2.81 -0.79 -1.55 117.12 120.80 2wbd n MET 177 Ca -0.18 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.75 2wbd n MET 177 Cb 0.53 0.00 0.30 0.00 -0.71 0.00 0.00 33.22 33.34 2wbd n MET 177 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2wbd h ASP 178 N 0.00 0.76 0.00 7.83 3.32 -1.96 -1.18 116.42 125.20 2wbd h ASP 178 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2wbd h ASP 178 Cb 0.00 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.38 2wbd h ASP 178 CO 0.00 0.52 0.00 0.00 -1.72 0.00 0.00 179.24 178.04 2wbd n GLY 180 N 0.08 -1.56 3.32 0.00 0.00 -0.45 -4.92 105.19 101.65 2wbd n GLY 180 Ca 0.11 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 2wbd n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wbd s VAL 181 N 0.00 3.12 0.00 1.61 1.01 -1.26 -1.89 120.40 122.99 2wbd s VAL 181 Ca 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.43 2wbd s VAL 181 Cb 0.00 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 2wbd s VAL 181 CO 0.00 0.48 -0.17 0.20 0.00 0.00 0.00 175.10 175.60 2wbd s ASN 182 N 1.00 2.04 -0.15 3.32 -0.87 0.26 -0.96 114.94 119.58 2wbd s ASN 182 Ca -0.01 -0.36 -0.00 0.00 -1.57 0.00 0.00 52.86 50.93 2wbd s ASN 182 Cb -0.15 -0.21 -0.01 0.00 -0.02 0.00 0.00 41.25 40.87 2wbd s ASN 182 CO -0.01 0.18 -0.14 0.00 -2.57 0.00 0.00 177.10 174.56 2wbd s PHE 184 N 0.72 2.18 -0.19 0.00 0.40 0.36 -1.59 117.98 119.86 2wbd s PHE 184 Ca -0.06 -0.72 -0.09 0.00 -0.60 0.00 0.00 56.93 55.46 2wbd s PHE 184 Cb -0.15 -1.46 -0.05 0.00 0.51 0.00 0.00 43.02 41.87 2wbd s PHE 184 CO 0.01 -0.26 0.11 1.41 0.70 0.00 0.00 175.22 177.19 2wbd s MET 185 N 0.08 4.09 -0.31 0.44 1.75 0.32 0.14 119.30 125.82 2wbd s MET 185 Ca -0.08 -0.26 -0.28 0.00 -1.25 0.00 0.00 55.69 53.82 2wbd s MET 185 Cb -0.14 -3.34 0.01 0.00 2.84 0.00 0.00 34.83 34.20 2wbd s MET 185 CO 0.05 0.31 1.01 -1.17 -0.65 0.00 0.00 175.02 174.57 2wbd s LEU 186 N 0.31 3.99 -0.39 4.11 2.96 0.06 0.42 118.68 130.12 2wbd s LEU 186 Ca 0.07 1.01 -0.24 0.00 -0.22 0.00 0.00 54.13 54.75 2wbd s LEU 186 Cb -0.11 -3.44 0.02 0.00 0.50 0.00 0.00 46.19 43.15 2wbd s LEU 186 CO -0.01 -0.80 0.81 -0.62 -1.32 0.00 0.00 176.35 174.41 2wbd s ASP 187 N 1.59 6.52 0.37 3.68 -1.08 -0.03 -4.65 116.67 123.07 2wbd s ASP 187 Ca 0.42 0.24 0.20 0.00 -0.52 0.00 0.00 52.55 52.90 2wbd s ASP 187 Cb -0.13 -2.40 0.57 0.00 -1.46 0.00 0.00 42.92 39.50 2wbd s ASP 187 CO 0.13 -0.82 1.68 -0.65 0.52 0.00 0.00 175.17 176.04 2wbd h PRO 188 N 8.65 0.00 -0.86 4.34 0.11 -1.94 -0.20 132.00 142.09 2wbd h PRO 188 Ca -0.25 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.03 2wbd h PRO 188 Cb 1.09 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.10 2wbd h PRO 188 CO 0.94 0.34 0.44 0.00 -0.21 0.00 0.00 178.00 179.51 2wbd h ALA 189 N 1.66 1.32 0.00 -0.75 0.00 -1.97 -3.31 119.26 116.21 2wbd h ALA 189 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wbd h ALA 189 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2wbd h ALA 189 CO 0.04 -0.13 0.00 0.44 0.00 0.00 0.00 179.25 179.60 2wbd n ILE 190 N -4.90 0.00 -3.32 0.00 -5.35 -1.11 -5.04 119.36 99.63 2wbd n ILE 190 Ca 0.18 -0.37 -0.21 0.00 -0.27 0.00 0.00 62.75 62.07 2wbd n ILE 190 Cb 0.48 1.25 0.06 0.00 -1.74 0.00 0.00 39.64 39.69 2wbd n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wbd n GLY 191 N 0.00 -0.42 3.32 3.28 0.00 -0.10 -5.03 105.19 106.24 2wbd n GLY 191 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2wbd n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wbd s GLU 192 N -6.01 1.99 -0.15 1.61 0.41 -1.21 -4.98 118.70 110.36 2wbd s GLU 192 Ca 0.45 -1.00 -0.23 0.00 -0.41 0.00 0.00 54.97 53.79 2wbd s GLU 192 Cb -0.20 -2.01 -0.03 0.00 -1.78 0.00 0.00 34.13 30.11 2wbd s GLU 192 CO 0.56 0.54 0.70 -0.06 -0.49 0.00 0.00 175.26 176.51 2wbd s PHE 193 N -0.68 3.44 -0.18 1.61 0.08 -1.26 -0.85 117.98 120.13 2wbd s PHE 193 Ca 0.11 1.10 -0.06 0.00 0.12 0.00 0.00 56.93 58.20 2wbd s PHE 193 Cb -0.10 -2.85 -0.03 0.00 -0.57 0.00 0.00 43.02 39.46 2wbd s PHE 193 CO 0.00 -0.11 0.03 0.42 -0.10 0.00 0.00 175.22 175.45 2wbd s ILE 194 N 1.65 4.37 -0.15 0.64 -1.09 0.17 -1.64 121.20 125.15 2wbd s ILE 194 Ca 0.34 -0.18 -0.29 0.00 -2.23 0.00 0.00 60.65 58.29 2wbd s ILE 194 Cb -0.16 -2.96 -0.05 0.00 -1.58 0.00 0.00 42.46 37.70 2wbd s ILE 194 CO 0.13 0.45 1.79 -0.22 -1.23 0.00 0.00 174.94 175.86 2wbd s LEU 195 N 0.59 3.98 -0.00 2.97 2.96 -0.16 -0.52 118.68 128.50 2wbd s LEU 195 Ca 0.01 1.96 0.01 0.00 -0.22 0.00 0.00 54.13 55.89 2wbd s LEU 195 Cb -0.14 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 2wbd s LEU 195 CO 0.02 -1.29 0.03 1.33 -1.32 0.00 0.00 176.35 175.11 2wbd n VAL 196 N 6.34 0.00 -3.71 1.68 0.24 -0.62 -4.70 118.33 117.55 2wbd n VAL 196 Ca 0.21 -0.06 -0.25 0.00 -2.04 0.00 0.00 64.34 62.19 2wbd n VAL 196 Cb 0.44 0.52 -0.17 0.00 -1.47 0.00 0.00 33.84 33.16 2wbd n VAL 196 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2wbd s ASP 197 N -2.04 2.29 -0.21 -1.34 1.01 -1.07 -5.03 116.67 110.30 2wbd s ASP 197 Ca -0.00 -0.51 -0.14 0.00 0.71 0.00 0.00 52.55 52.61 2wbd s ASP 197 Cb 0.01 -0.44 -0.04 0.00 1.01 0.00 0.00 42.92 43.45 2wbd s ASP 197 CO 0.04 -0.28 0.30 -0.54 0.21 0.00 0.00 175.17 174.90 2wbd s LYS 198 N 1.98 4.16 -1.21 8.23 1.02 -1.26 -1.91 119.74 130.75 2wbd s LYS 198 Ca 0.02 0.02 -0.03 0.00 0.02 0.00 0.00 55.97 56.00 2wbd s LYS 198 Cb -0.15 -3.52 -0.01 0.00 -0.52 0.00 0.00 37.83 33.63 2wbd s LYS 198 CO -0.07 0.05 0.85 -3.47 -0.92 0.00 0.00 175.35 171.79 2wbd n ASP 199 N 4.23 -2.81 -4.76 2.83 2.03 -0.93 -4.87 116.55 112.28 2wbd n ASP 199 Ca -0.11 -0.74 -0.41 0.00 0.52 0.00 0.00 54.79 54.05 2wbd n ASP 199 Cb 0.52 -4.60 -0.03 0.00 -0.72 0.00 0.00 41.12 36.29 2wbd n ASP 199 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2wbd s VAL 200 N -3.49 3.05 -0.04 5.18 -7.23 -0.13 -4.84 120.40 112.90 2wbd s VAL 200 Ca 0.12 1.02 0.07 0.00 -1.81 0.00 0.00 61.98 61.38 2wbd s VAL 200 Cb -0.03 -3.65 -0.01 0.00 0.56 0.00 0.00 36.38 33.25 2wbd s VAL 200 CO 0.77 0.23 -0.25 -0.54 -0.31 0.00 0.00 175.10 175.00 2wbd s LYS 201 N -1.41 2.34 0.29 4.82 -0.14 -1.26 -4.56 119.74 119.81 2wbd s LYS 201 Ca 0.49 -0.91 -0.29 0.00 -1.36 0.00 0.00 55.97 53.89 2wbd s LYS 201 Cb -0.37 -2.10 -0.09 0.00 -1.68 0.00 0.00 37.83 33.59 2wbd s LYS 201 CO 0.47 0.46 1.07 -1.50 -0.76 0.00 0.00 175.35 175.09 2wbd s ILE 202 N -0.36 3.58 0.28 2.17 2.07 -0.91 -5.01 121.20 123.03 2wbd s ILE 202 Ca 0.02 1.56 -0.28 0.00 -1.41 0.00 0.00 60.65 60.55 2wbd s ILE 202 Cb -0.12 -3.98 -0.15 0.00 0.13 0.00 0.00 42.46 38.35 2wbd s ILE 202 CO 0.02 0.35 0.88 0.29 -1.91 0.00 0.00 174.94 174.56 2wbd n LYS 203 N 1.11 1.03 -0.35 3.50 5.02 -1.26 -4.87 118.16 122.34 2wbd n LYS 203 Ca -0.01 0.36 0.04 0.00 -2.02 0.00 0.00 58.31 56.69 2wbd n LYS 203 Cb 0.45 -1.65 0.20 0.00 -0.02 0.00 0.00 35.03 34.01 2wbd n LYS 203 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wbd h LYS 204 N 1.71 1.01 -3.43 1.97 3.64 -1.94 -3.39 116.57 116.13 2wbd h LYS 204 Ca -0.37 -0.06 -0.38 0.00 -1.27 0.00 0.00 60.65 58.57 2wbd h LYS 204 Cb 1.36 -0.23 -0.38 0.00 -0.41 0.00 0.00 32.23 32.57 2wbd h LYS 204 CO 0.59 0.67 -0.75 0.21 -2.27 0.00 0.00 179.45 177.90 2wbd s LYS 205 N -6.00 0.10 0.76 1.90 2.20 -1.26 -1.49 119.74 115.94 2wbd s LYS 205 Ca -0.12 0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 55.77 2wbd s LYS 205 Cb 0.21 -0.60 0.15 0.00 -1.51 0.00 0.00 37.83 36.08 2wbd s LYS 205 CO 0.81 -0.30 1.04 0.20 -0.36 0.00 0.00 175.35 176.74 2wbd s GLY 206 N 2.00 1.75 -0.11 5.54 0.00 -1.26 -4.77 107.32 110.47 2wbd s GLY 206 Ca 0.03 -1.85 0.14 0.00 0.00 0.00 0.00 44.72 43.05 2wbd s GLY 206 CO -0.03 -1.21 1.14 0.28 0.00 0.00 0.00 173.10 173.28 2wbd n LYS 207 N -2.95 0.95 -3.86 2.90 5.02 -1.26 -4.70 118.16 114.27 2wbd n LYS 207 Ca 0.17 -2.41 -0.12 0.00 -2.02 0.00 0.00 58.31 53.93 2wbd n LYS 207 Cb 0.61 -1.14 -0.13 0.00 -0.02 0.00 0.00 35.03 34.34 2wbd n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wbd s ILE 208 N -2.05 0.01 0.15 -0.18 1.01 -1.26 -0.82 121.20 118.06 2wbd s ILE 208 Ca 0.28 -0.08 0.11 0.00 0.00 0.00 0.00 60.65 60.96 2wbd s ILE 208 Cb 0.27 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.58 2wbd s ILE 208 CO -0.03 -0.04 -0.25 -0.72 0.00 0.00 0.00 174.94 173.89 2wbd s TYR 209 N -0.10 2.33 -0.23 3.97 1.13 -1.00 -1.36 117.35 122.08 2wbd s TYR 209 Ca -0.01 -0.36 -0.04 0.00 -1.41 0.00 0.00 57.07 55.24 2wbd s TYR 209 Cb -0.01 -1.22 0.09 0.00 -1.10 0.00 0.00 41.96 39.71 2wbd s TYR 209 CO 0.00 0.39 0.15 0.45 -2.51 0.00 0.00 175.55 174.04 2wbd s SER 210 N -2.26 2.47 0.25 -0.18 0.15 0.03 -2.73 113.70 111.42 2wbd s SER 210 Ca 0.16 -0.78 -0.22 0.00 0.70 0.00 0.00 55.95 55.81 2wbd s SER 210 Cb -0.09 -0.06 0.03 0.00 -1.71 0.00 0.00 66.02 64.19 2wbd s SER 210 CO 0.08 -0.38 0.77 -1.48 1.20 0.00 0.00 173.24 173.42 2wbd s LEU 211 N 2.19 -0.26 -0.82 3.45 2.34 -1.26 -0.55 118.68 123.77 2wbd s LEU 211 Ca 0.06 -0.53 -0.26 0.00 0.06 0.00 0.00 54.13 53.46 2wbd s LEU 211 Cb -0.16 2.60 0.02 0.00 -0.56 0.00 0.00 46.19 48.09 2wbd s LEU 211 CO -0.22 -1.23 1.48 0.21 -1.06 0.00 0.00 176.35 175.53 2wbd s ASN 212 N -2.91 6.02 0.07 1.48 3.84 -1.26 -4.83 114.94 117.35 2wbd s ASN 212 Ca 0.11 -0.64 0.22 0.00 0.21 0.00 0.00 52.86 52.76 2wbd s ASN 212 Cb -0.05 -2.56 0.90 0.00 -0.55 0.00 0.00 41.25 38.99 2wbd s ASN 212 CO 0.05 -1.91 1.69 -0.62 -2.79 0.00 0.00 177.10 173.51 2wbd n GLU 213 N 9.16 0.06 0.27 0.43 1.02 -1.26 -3.09 120.64 127.23 2wbd n GLU 213 Ca 0.18 0.19 0.11 0.00 -0.02 0.00 0.00 57.16 57.63 2wbd n GLU 213 Cb 0.50 -1.60 0.76 0.00 -0.02 0.00 0.00 31.44 31.09 2wbd n GLU 213 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2wbd h GLY 214 N 3.50 0.00 -3.09 0.62 0.00 -2.06 -2.58 103.07 99.46 2wbd h GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wbd h GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 2wbd n TYR 215 N -4.12 1.69 -0.35 5.60 4.01 -1.18 -4.58 117.16 118.24 2wbd n TYR 215 Ca -0.03 -0.59 0.24 0.00 -0.16 0.00 0.00 57.90 57.36 2wbd n TYR 215 Cb 0.11 -0.42 0.50 0.00 -0.31 0.00 0.00 39.34 39.23 2wbd n TYR 215 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wbd h ALA 216 N 3.72 2.18 0.00 -0.72 0.00 -1.67 -1.36 119.26 121.40 2wbd h ALA 216 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2wbd h ALA 216 Cb 1.69 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 2wbd h ALA 216 CO 0.39 -0.67 -0.07 1.57 0.00 0.00 0.00 179.25 180.47 2wbd h LYS 217 N 0.37 0.00 -0.09 0.00 2.10 -1.88 -1.69 116.57 115.38 2wbd h LYS 217 Ca 0.67 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.32 2wbd h LYS 217 Cb 1.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.99 2wbd h LYS 217 CO -0.41 0.07 0.00 -0.25 -2.00 0.00 0.00 179.45 176.86 2wbd n ASP 218 N -3.40 2.84 -4.43 7.07 8.00 -0.54 -5.03 116.55 121.05 2wbd n ASP 218 Ca -0.02 -1.88 -0.41 0.00 0.71 0.00 0.00 54.79 53.20 2wbd n ASP 218 Cb 0.22 -0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.28 2wbd n ASP 218 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2wbd n PHE 219 N 1.19 -0.79 -2.09 1.24 3.01 -0.64 -4.47 117.46 114.91 2wbd n PHE 219 Ca 0.13 0.56 -0.41 0.00 1.01 0.00 0.00 57.45 58.75 2wbd n PHE 219 Cb 0.53 -1.95 -0.02 0.00 -0.01 0.00 0.00 39.48 38.02 2wbd n PHE 219 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2wbd s ASP 220 N -0.99 6.75 0.65 4.37 -1.08 -1.26 -4.86 116.67 120.24 2wbd s ASP 220 Ca 0.63 2.64 0.38 0.00 -0.52 0.00 0.00 52.55 55.69 2wbd s ASP 220 Cb -0.57 -2.63 2.12 0.00 -1.46 0.00 0.00 42.92 40.37 2wbd s ASP 220 CO 0.58 -0.59 2.25 -0.65 0.52 0.00 0.00 175.17 177.28 2wbd h PRO 221 N 4.22 0.00 -0.10 4.34 0.11 -1.96 0.12 132.00 138.73 2wbd h PRO 221 Ca -0.47 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 2wbd h PRO 221 Cb 1.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 2wbd h PRO 221 CO 0.71 0.00 -0.55 0.00 -0.21 0.00 0.00 178.00 177.96 2wbd h ALA 222 N 1.85 0.20 0.13 -0.75 0.00 -1.91 -2.28 119.26 116.51 2wbd h ALA 222 Ca 0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2wbd h ALA 222 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wbd h ALA 222 CO -0.00 0.42 -0.06 0.28 0.00 0.00 0.00 179.25 179.89 2wbd h VAL 223 N 0.16 0.89 -0.76 0.00 2.07 -1.26 -0.78 116.25 116.57 2wbd h VAL 223 Ca -0.04 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.51 2wbd h VAL 223 Cb 1.19 0.94 -0.12 0.00 -1.52 0.00 0.00 31.29 31.77 2wbd h VAL 223 CO 0.11 0.02 -0.44 0.74 0.02 0.00 0.00 177.57 178.02 2wbd h THR 224 N -0.21 0.05 -0.30 2.57 2.02 -0.95 -2.01 112.91 114.08 2wbd h THR 224 Ca -0.02 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 2wbd h THR 224 Cb 0.17 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 2wbd h THR 224 CO 0.03 0.00 -0.06 -0.08 0.37 0.00 0.00 175.52 175.78 2wbd h GLU 225 N -0.13 0.57 -0.70 6.66 4.81 -1.24 -2.42 114.58 122.13 2wbd h GLU 225 Ca 0.22 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2wbd h GLU 225 Cb 0.55 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 2wbd h GLU 225 CO -0.81 0.75 0.45 -0.92 -0.73 0.00 0.00 179.01 177.75 2wbd h TYR 226 N 0.34 0.85 -0.27 0.92 3.20 -0.81 -2.49 116.97 118.72 2wbd h TYR 226 Ca 0.08 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 2wbd h TYR 226 Cb 0.53 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2wbd h TYR 226 CO 0.05 0.51 -0.28 0.82 -1.64 0.00 0.00 178.16 177.62 2wbd h ILE 227 N 0.91 1.27 -0.11 1.81 1.08 -1.36 -2.64 117.51 118.47 2wbd h ILE 227 Ca 0.27 -1.35 -0.05 0.00 -0.39 0.00 0.00 64.86 63.34 2wbd h ILE 227 Cb -0.05 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 2wbd h ILE 227 CO -0.08 0.43 -0.15 -0.61 -0.69 0.00 0.00 178.15 177.05 2wbd h GLN 228 N 0.48 0.18 0.00 2.37 4.15 -1.01 -1.68 115.11 119.60 2wbd h GLN 228 Ca 0.06 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 2wbd h GLN 228 Cb 0.73 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.39 2wbd h GLN 228 CO 0.06 0.34 -0.15 0.00 -1.93 0.00 0.00 178.83 177.14 2wbd h ARG 229 N 0.17 0.00 -0.03 1.69 3.08 -1.12 0.59 114.38 118.77 2wbd h ARG 229 Ca 0.03 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.83 2wbd h ARG 229 Cb 0.37 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.44 2wbd h ARG 229 CO 0.02 0.15 -0.98 0.87 -1.07 0.00 0.00 179.97 178.97 2wbd h LYS 230 N 0.00 0.67 0.15 0.04 1.79 -1.07 -3.12 116.57 115.04 2wbd h LYS 230 Ca -0.00 -0.69 -0.35 0.00 -2.18 0.00 0.00 60.65 57.43 2wbd h LYS 230 Cb 0.88 0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 31.71 2wbd h LYS 230 CO 0.02 1.28 -1.79 0.87 -1.08 0.00 0.00 179.45 178.75 2wbd h LYS 231 N 0.40 0.32 -2.22 3.15 1.57 -1.37 -1.38 116.57 117.04 2wbd h LYS 231 Ca -0.11 -0.54 -0.59 0.00 -1.87 0.00 0.00 60.65 57.54 2wbd h LYS 231 Cb 1.63 0.20 -0.42 0.00 0.08 0.00 0.00 32.23 33.72 2wbd h LYS 231 CO 0.19 1.22 -0.64 1.19 -0.57 0.00 0.00 179.45 180.84 2wbd n PHE 232 N -3.51 3.63 -1.91 -1.35 3.01 0.20 -4.75 117.46 112.78 2wbd n PHE 232 Ca -0.25 -4.07 -0.42 0.00 1.01 0.00 0.00 57.45 53.73 2wbd n PHE 232 Cb 1.06 -0.52 -0.02 0.00 -0.01 0.00 0.00 39.48 39.99 2wbd n PHE 232 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 2wbd s PRO 233 N -2.86 4.21 0.18 -1.08 0.02 -1.18 -4.53 135.00 129.76 2wbd s PRO 233 Ca 0.44 2.41 -0.06 0.00 0.02 0.00 0.00 61.00 63.81 2wbd s PRO 233 Cb 0.21 -3.09 0.09 0.00 0.02 0.00 0.00 34.50 31.72 2wbd s PRO 233 CO -0.07 -0.54 1.53 -1.00 -0.33 0.00 0.00 177.00 176.59 2wbd h PRO 234 N 5.46 0.73 0.00 5.54 0.13 -1.94 -3.44 132.00 138.49 2wbd h PRO 234 Ca -0.45 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 2wbd h PRO 234 Cb 1.21 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2wbd h PRO 234 CO 0.82 1.01 0.00 -0.40 -0.23 0.00 0.00 178.00 179.20 2wbd n ASP 235 N -4.03 0.00 -1.41 1.44 5.75 -1.26 -4.96 116.55 112.07 2wbd n ASP 235 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.74 2wbd n ASP 235 Cb 0.54 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.89 2wbd n ASP 235 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2wbd n ASN 236 N 0.00 3.83 -4.83 -1.12 3.02 -1.26 -5.03 115.26 109.86 2wbd n ASN 236 Ca 0.00 -3.33 -0.33 0.00 -0.03 0.00 0.00 54.58 50.90 2wbd n ASN 236 Cb 0.00 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 38.45 2wbd n ASN 236 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2wbd s SER 237 N -1.76 6.84 0.17 6.41 1.04 -1.26 -5.03 113.70 120.10 2wbd s SER 237 Ca 0.48 1.57 -0.31 0.00 0.48 0.00 0.00 55.95 58.17 2wbd s SER 237 Cb 0.40 -2.49 -0.09 0.00 0.10 0.00 0.00 66.02 63.94 2wbd s SER 237 CO 0.08 -0.37 1.43 0.00 0.98 0.00 0.00 173.24 175.37 2wbd s ALA 238 N -2.22 3.64 0.80 5.32 0.00 -1.26 -4.77 121.76 123.27 2wbd s ALA 238 Ca 0.60 1.22 -0.14 0.00 0.00 0.00 0.00 51.96 53.64 2wbd s ALA 238 Cb -0.09 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.54 2wbd s ALA 238 CO 0.17 -0.67 1.14 -2.30 0.00 0.00 0.00 175.76 174.11 2wbd n PRO 239 N 3.44 0.24 -2.41 0.00 -0.02 -1.26 -4.98 135.00 130.01 2wbd n PRO 239 Ca 0.10 0.16 -0.37 0.00 -2.02 0.00 0.00 63.50 61.37 2wbd n PRO 239 Cb 0.41 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 2wbd n PRO 239 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2wbd s TYR 240 N -2.06 3.08 0.47 6.00 1.51 -0.52 -5.03 117.35 120.80 2wbd s TYR 240 Ca 0.73 1.59 -0.19 0.00 -1.01 0.00 0.00 57.07 58.19 2wbd s TYR 240 Cb -0.30 -3.25 -0.10 0.00 -0.11 0.00 0.00 41.96 38.21 2wbd s TYR 240 CO 0.51 -1.05 0.96 0.20 -1.11 0.00 0.00 175.55 175.06 2wbd s GLY 241 N -1.46 2.24 -0.09 0.71 0.00 0.00 -4.82 107.32 103.90 2wbd s GLY 241 Ca 0.61 0.30 -0.01 0.00 0.00 0.00 0.00 44.72 45.61 2wbd s GLY 241 CO 0.31 0.57 -0.03 0.00 0.00 0.00 0.00 173.10 173.95 2wbd s ALA 242 N -2.38 3.14 -0.06 3.20 0.00 -1.26 -2.38 121.76 122.01 2wbd s ALA 242 Ca 0.60 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 2wbd s ALA 242 Cb -0.09 -1.40 0.02 0.00 0.00 0.00 0.00 23.12 21.65 2wbd s ALA 242 CO 0.21 0.54 0.16 1.03 0.00 0.00 0.00 175.76 177.70 2wbd s ARG 243 N -0.70 0.17 -0.34 0.00 1.81 -1.11 -4.99 118.95 113.79 2wbd s ARG 243 Ca 0.11 0.28 0.06 0.00 -1.72 0.00 0.00 55.73 54.45 2wbd s ARG 243 Cb -0.12 0.02 0.18 0.00 -0.45 0.00 0.00 34.95 34.59 2wbd s ARG 243 CO 0.02 -0.06 0.55 -0.47 -0.68 0.00 0.00 175.30 174.66 2wbd s TYR 244 N 0.39 -1.50 0.23 -0.53 5.04 -1.26 -4.15 117.35 115.56 2wbd s TYR 244 Ca -0.03 0.47 0.04 0.00 -2.44 0.00 0.00 57.07 55.11 2wbd s TYR 244 Cb -0.04 0.16 0.21 0.00 0.35 0.00 0.00 41.96 42.64 2wbd s TYR 244 CO -0.02 -1.09 1.54 0.28 -1.34 0.00 0.00 175.55 174.92 2wbd h VAL 245 N 5.60 1.40 0.00 3.14 2.07 -1.96 -3.47 116.25 123.02 2wbd h VAL 245 Ca 0.00 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.48 2wbd h VAL 245 Cb 1.16 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2wbd h VAL 245 CO 0.16 0.60 0.00 0.61 0.02 0.00 0.00 177.57 178.96 2wbd n GLY 246 N 0.33 0.44 2.64 2.17 0.00 -1.26 -5.03 105.19 104.49 2wbd n GLY 246 Ca -0.03 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 2wbd n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wbd s SER 247 N -2.89 1.95 0.25 1.61 0.15 -1.26 -4.96 113.70 108.55 2wbd s SER 247 Ca 0.00 -0.38 -0.04 0.00 0.70 0.00 0.00 55.95 56.24 2wbd s SER 247 Cb 0.00 -0.23 0.48 0.00 -1.71 0.00 0.00 66.02 64.56 2wbd s SER 247 CO 0.00 -0.31 1.72 -0.03 1.20 0.00 0.00 173.24 175.82 2wbd h MET 248 N 8.42 0.41 -0.20 5.44 4.05 -1.93 -1.42 114.93 129.70 2wbd h MET 248 Ca -0.14 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.25 2wbd h MET 248 Cb 1.14 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 2wbd h MET 248 CO 0.24 0.27 0.10 0.28 0.23 0.00 0.00 176.91 178.04 2wbd h VAL 249 N 0.43 1.13 -0.12 -5.77 2.07 -1.94 0.48 116.25 112.52 2wbd h VAL 249 Ca 0.42 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2wbd h VAL 249 Cb 0.66 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2wbd h VAL 249 CO -0.42 0.12 -0.04 0.00 0.02 0.00 0.00 177.57 177.25 2wbd h ALA 250 N 0.97 0.07 -0.35 1.67 0.00 -1.75 0.86 119.26 120.73 2wbd h ALA 250 Ca 0.07 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2wbd h ALA 250 Cb 0.10 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2wbd h ALA 250 CO -0.01 -0.49 0.01 -0.44 0.00 0.00 0.00 179.25 178.32 2wbd h ASP 251 N -0.02 0.59 -0.38 0.00 3.32 -0.84 -1.01 116.42 118.09 2wbd h ASP 251 Ca 0.06 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 2wbd h ASP 251 Cb 0.11 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2wbd h ASP 251 CO -0.14 0.74 0.19 0.58 -1.72 0.00 0.00 179.24 178.90 2wbd h VAL 252 N 0.42 1.16 -0.76 -1.35 2.07 -0.07 -1.91 116.25 115.81 2wbd h VAL 252 Ca 0.10 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2wbd h VAL 252 Cb 0.43 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2wbd h VAL 252 CO 0.02 0.17 0.37 -0.74 0.02 0.00 0.00 177.57 177.41 2wbd h HIS 253 N 0.48 1.10 0.00 1.57 -0.00 -0.69 -0.16 115.15 117.45 2wbd h HIS 253 Ca 0.13 -0.05 -0.04 0.00 -0.00 0.00 0.00 60.37 60.41 2wbd h HIS 253 Cb 0.10 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.17 2wbd h HIS 253 CO -0.02 0.80 -0.19 -0.09 -0.00 0.00 0.00 177.93 178.43 2wbd h ARG 254 N 1.07 0.00 -0.21 5.26 2.43 -1.11 -1.80 114.38 120.01 2wbd h ARG 254 Ca 0.26 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.27 2wbd h ARG 254 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2wbd h ARG 254 CO -0.03 0.19 -0.51 1.15 -1.51 0.00 0.00 179.97 179.26 2wbd h THR 255 N 0.00 1.31 0.19 0.20 2.02 -0.45 -2.71 112.91 113.46 2wbd h THR 255 Ca -0.00 -1.73 0.01 0.00 0.77 0.00 0.00 66.41 65.46 2wbd h THR 255 Cb 0.36 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 2wbd h THR 255 CO 0.02 0.54 -0.20 0.25 0.37 0.00 0.00 175.52 176.51 2wbd h LEU 256 N 0.43 -0.54 -0.40 2.58 5.85 -0.79 0.34 115.31 122.78 2wbd h LEU 256 Ca -0.00 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.59 2wbd h LEU 256 Cb 1.12 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2wbd h LEU 256 CO 0.11 -0.30 -0.77 0.58 -0.34 0.00 0.00 178.44 177.72 2wbd h VAL 257 N -0.42 1.42 -0.00 1.05 2.07 -1.38 -3.33 116.25 115.66 2wbd h VAL 257 Ca 0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 2wbd h VAL 257 Cb 0.41 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2wbd h VAL 257 CO -0.06 0.68 -0.31 -1.22 0.02 0.00 0.00 177.57 176.68 2wbd n TYR 258 N -3.77 0.00 0.00 1.57 4.01 -1.02 -4.94 117.16 113.01 2wbd n TYR 258 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2wbd n TYR 258 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.76 2wbd n TYR 258 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wbd n GLY 259 N 1.07 -1.00 0.00 2.72 0.00 0.11 -4.66 105.19 103.42 2wbd n GLY 259 Ca 0.02 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2wbd n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbd n GLY 260 N -1.03 0.20 2.89 -0.02 0.00 -1.26 -4.57 105.19 101.40 2wbd n GLY 260 Ca 0.00 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 43.72 2wbd n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wbd s ILE 261 N 0.00 -0.00 -0.06 -0.61 2.07 -0.46 -0.24 121.20 121.89 2wbd s ILE 261 Ca 0.00 0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.30 2wbd s ILE 261 Cb 0.00 -0.05 -0.00 0.00 0.13 0.00 0.00 42.46 42.54 2wbd s ILE 261 CO 0.00 0.01 -0.19 0.12 -1.91 0.00 0.00 174.94 172.97 2wbd s PHE 262 N 0.09 1.94 -0.05 3.50 5.36 -0.12 -0.79 117.98 127.90 2wbd s PHE 262 Ca -0.01 -0.62 0.04 0.00 -0.96 0.00 0.00 56.93 55.38 2wbd s PHE 262 Cb -0.01 -1.31 0.00 0.00 -0.34 0.00 0.00 43.02 41.36 2wbd s PHE 262 CO -0.00 -0.23 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.87 2wbd s LEU 263 N 0.12 1.84 -0.41 6.12 1.02 0.28 -1.75 118.68 125.90 2wbd s LEU 263 Ca -0.07 -0.32 0.02 0.00 0.02 0.00 0.00 54.13 53.78 2wbd s LEU 263 Cb -0.13 -0.88 0.15 0.00 0.02 0.00 0.00 46.19 45.35 2wbd s LEU 263 CO 0.04 0.11 0.29 -0.47 0.02 0.00 0.00 176.35 176.34 2wbd s TYR 264 N 0.21 1.23 0.43 0.29 6.14 -0.01 -4.46 117.35 121.17 2wbd s TYR 264 Ca -0.06 -2.15 0.05 0.00 0.64 0.00 0.00 57.07 55.54 2wbd s TYR 264 Cb -0.12 -1.15 0.01 0.00 0.42 0.00 0.00 41.96 41.11 2wbd s TYR 264 CO 0.02 -0.80 0.61 -1.25 0.64 0.00 0.00 175.55 174.77 2wbd s PRO 265 N 0.36 2.86 0.70 4.97 0.04 -1.26 -1.31 135.00 141.36 2wbd s PRO 265 Ca 0.25 -0.98 -0.15 0.00 0.04 0.00 0.00 61.00 60.17 2wbd s PRO 265 Cb -0.10 -2.68 0.02 0.00 0.04 0.00 0.00 34.50 31.78 2wbd s PRO 265 CO -0.10 -0.30 1.14 0.00 0.04 0.00 0.00 177.00 177.79 2wbd s ALA 266 N -2.43 2.30 0.32 8.56 0.00 -1.26 -4.48 121.76 124.76 2wbd s ALA 266 Ca 0.52 0.64 -0.06 0.00 0.00 0.00 0.00 51.96 53.07 2wbd s ALA 266 Cb -0.10 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2wbd s ALA 266 CO 0.34 -1.57 0.49 0.54 0.00 0.00 0.00 175.76 175.56 2wbd s ASN 267 N -2.45 0.55 0.36 0.00 2.20 -1.05 -4.28 114.94 110.28 2wbd s ASN 267 Ca 0.69 -1.32 0.05 0.00 -0.94 0.00 0.00 52.86 51.34 2wbd s ASN 267 Cb -0.23 0.65 0.70 0.00 -2.00 0.00 0.00 41.25 40.36 2wbd s ASN 267 CO 0.44 -1.27 1.96 0.11 -2.94 0.00 0.00 177.10 175.40 2wbd h LYS 268 N 2.16 0.57 -0.40 3.55 1.57 -1.90 -1.77 116.57 120.34 2wbd h LYS 268 Ca -0.28 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.29 2wbd h LYS 268 Cb 1.24 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2wbd h LYS 268 CO 0.39 0.48 -0.27 0.87 -0.57 0.00 0.00 179.45 180.35 2wbd h LYS 269 N 0.57 0.84 -2.65 3.15 1.57 -1.97 -3.36 116.57 114.71 2wbd h LYS 269 Ca 0.14 -0.37 -0.60 0.00 -1.87 0.00 0.00 60.65 57.94 2wbd h LYS 269 Cb 0.14 -0.02 -0.41 0.00 0.08 0.00 0.00 32.23 32.01 2wbd h LYS 269 CO -0.01 1.01 -0.70 0.43 -0.57 0.00 0.00 179.45 179.60 2wbd n SER 270 N -4.09 2.29 0.34 0.86 7.64 -0.83 -4.99 113.62 114.84 2wbd n SER 270 Ca -0.00 -3.06 0.18 0.00 1.01 0.00 0.00 58.87 57.00 2wbd n SER 270 Cb 0.47 -0.69 0.98 0.00 -1.01 0.00 0.00 64.21 63.96 2wbd n SER 270 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2wbd h PRO 271 N 5.03 0.00 0.00 1.43 0.13 -1.51 -0.37 132.00 136.70 2wbd h PRO 271 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2wbd h PRO 271 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 2wbd h PRO 271 CO 0.66 0.00 -0.12 0.09 -0.23 0.00 0.00 178.00 178.40 2wbd n ASN 272 N -2.98 2.19 -0.04 1.44 5.03 -1.26 -4.74 115.26 114.90 2wbd n ASN 272 Ca -0.02 -3.28 0.00 0.00 0.87 0.00 0.00 54.58 52.15 2wbd n ASN 272 Cb 0.26 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.56 2wbd n ASN 272 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wbd n GLY 273 N -1.36 -1.23 0.00 7.41 0.00 -0.17 -2.24 105.19 107.60 2wbd n GLY 273 Ca 0.17 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2wbd n GLY 273 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wbd n LYS 274 N -0.07 2.65 -2.48 1.61 5.02 -1.26 -4.82 118.16 118.81 2wbd n LYS 274 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 2wbd n LYS 274 Cb 0.00 -0.84 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 2wbd n LYS 274 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wbd s LEU 275 N -2.95 3.95 -0.01 -0.35 1.43 -1.25 -4.84 118.68 114.65 2wbd s LEU 275 Ca 0.00 2.03 -0.27 0.00 -1.03 0.00 0.00 54.13 54.87 2wbd s LEU 275 Cb 0.00 -4.40 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 2wbd s LEU 275 CO 0.00 -0.75 0.84 -0.13 0.23 0.00 0.00 176.35 176.55 2wbd s ARG 276 N -2.93 4.51 0.11 1.70 1.81 -1.26 -1.15 118.95 121.73 2wbd s ARG 276 Ca 0.64 1.17 -0.17 0.00 -1.72 0.00 0.00 55.73 55.65 2wbd s ARG 276 Cb -0.20 -3.44 -0.04 0.00 -0.45 0.00 0.00 34.95 30.82 2wbd s ARG 276 CO 0.25 0.05 1.58 1.25 -0.68 0.00 0.00 175.30 177.75 2wbd h LEU 277 N 6.56 0.55 -0.39 2.53 5.85 -1.63 -0.68 115.31 128.11 2wbd h LEU 277 Ca -0.41 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.01 2wbd h LEU 277 Cb 1.21 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2wbd h LEU 277 CO 0.74 0.68 0.14 -0.07 -0.34 0.00 0.00 178.44 179.60 2wbd h LEU 278 N 0.39 0.54 -1.12 2.25 4.07 -1.80 0.16 115.31 119.80 2wbd h LEU 278 Ca 0.10 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.88 2wbd h LEU 278 Cb 0.38 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.98 2wbd h LEU 278 CO 0.01 0.57 0.00 0.00 -1.08 0.00 0.00 178.44 177.94 2wbd n TYR 279 N -4.64 0.00 0.02 1.13 0.18 -1.25 -4.46 117.16 108.14 2wbd n TYR 279 Ca -0.00 -0.08 -0.01 0.00 1.88 0.00 0.00 57.90 59.69 2wbd n TYR 279 Cb 0.15 -0.01 -0.00 0.00 -0.38 0.00 0.00 39.34 39.10 2wbd n TYR 279 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2wbd n GLU 280 N -0.08 0.04 -0.02 -3.48 1.02 -0.73 -4.20 120.64 113.19 2wbd n GLU 280 Ca 0.00 0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 2wbd n GLU 280 Cb 0.11 -0.43 -0.08 0.00 -0.02 0.00 0.00 31.44 31.02 2wbd n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wbd h ASN 282 N -0.22 0.20 -0.15 0.00 -0.26 -0.92 0.32 115.58 114.55 2wbd h ASN 282 Ca 0.02 -0.10 -0.05 0.00 -0.56 0.00 0.00 56.30 55.61 2wbd h ASN 282 Cb 0.39 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 2wbd h ASN 282 CO 0.01 0.24 -0.03 -0.65 -1.06 0.00 0.00 177.43 175.94 2wbd h PRO 283 N 0.14 0.42 -0.31 0.81 0.11 -1.78 0.27 132.00 131.66 2wbd h PRO 283 Ca 0.05 -0.09 -0.17 0.00 0.11 0.00 0.00 66.00 65.91 2wbd h PRO 283 Cb 0.09 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 2wbd h PRO 283 CO -0.01 0.47 -0.46 0.52 -0.21 0.00 0.00 178.00 178.32 2wbd h MET 284 N 0.41 0.85 -0.64 1.05 2.86 -1.29 -2.13 114.93 116.04 2wbd h MET 284 Ca 0.09 -0.51 -0.01 0.00 -2.06 0.00 0.00 59.70 57.21 2wbd h MET 284 Cb 0.32 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 2wbd h MET 284 CO 0.01 1.14 0.36 0.00 1.06 0.00 0.00 176.91 179.49 2wbd h ALA 285 N 0.70 0.82 0.23 6.32 0.00 0.06 -1.56 119.26 125.83 2wbd h ALA 285 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wbd h ALA 285 Cb 1.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2wbd h ALA 285 CO 0.11 0.32 -0.18 -0.92 0.00 0.00 0.00 179.25 178.57 2wbd h TYR 286 N 0.87 -0.48 -0.21 0.00 5.03 -0.43 -0.62 116.97 121.13 2wbd h TYR 286 Ca 0.23 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.57 2wbd h TYR 286 Cb 0.02 0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.45 2wbd h TYR 286 CO -0.01 -0.28 0.03 0.28 -1.32 0.00 0.00 178.16 176.86 2wbd h VAL 287 N -0.43 0.89 -0.62 1.81 2.07 -1.33 -1.72 116.25 116.93 2wbd h VAL 287 Ca -0.01 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.52 2wbd h VAL 287 Cb 0.38 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2wbd h VAL 287 CO -0.02 0.02 0.41 0.24 0.02 0.00 0.00 177.57 178.24 2wbd h MET 288 N 0.10 0.64 0.16 1.57 2.86 -1.18 -1.16 114.93 117.92 2wbd h MET 288 Ca 0.09 -0.04 -0.31 0.00 -2.06 0.00 0.00 59.70 57.39 2wbd h MET 288 Cb 0.10 -0.14 0.03 0.00 0.06 0.00 0.00 31.60 31.65 2wbd h MET 288 CO -0.14 0.42 -1.31 0.93 1.06 0.00 0.00 176.91 177.88 2wbd h GLU 289 N 0.66 0.60 0.00 1.72 5.08 -0.72 1.10 114.58 123.02 2wbd h GLU 289 Ca 0.26 -0.85 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 2wbd h GLU 289 Cb 0.19 0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2wbd h GLU 289 CO -0.08 1.39 -0.03 0.87 -1.00 0.00 0.00 179.01 180.17 2wbd h LYS 290 N 0.24 0.00 0.00 2.33 1.79 -1.18 0.13 116.57 119.89 2wbd h LYS 290 Ca -0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 2wbd h LYS 290 Cb 1.99 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.64 2wbd h LYS 290 CO 0.25 0.03 -0.30 0.00 -1.08 0.00 0.00 179.45 178.35 2wbd n ALA 291 N -2.20 2.89 -0.76 3.86 0.00 -0.45 -4.51 120.51 119.34 2wbd n ALA 291 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2wbd n ALA 291 Cb 0.14 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2wbd n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wbd n GLY 292 N 1.45 0.72 3.37 0.00 0.00 0.04 -2.13 105.19 108.64 2wbd n GLY 292 Ca 0.06 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 2wbd n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbd n GLY 293 N -2.19 2.37 3.51 -0.02 0.00 0.38 -4.57 105.19 104.67 2wbd n GLY 293 Ca 0.00 -2.25 -0.24 0.00 0.00 0.00 0.00 46.02 43.53 2wbd n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wbd s MET 294 N -4.13 1.79 -0.24 1.61 1.00 -0.72 -3.89 119.30 114.72 2wbd s MET 294 Ca 0.40 -1.77 -0.06 0.00 0.00 0.00 0.00 55.69 54.26 2wbd s MET 294 Cb -0.03 -1.80 0.12 0.00 0.00 0.00 0.00 34.83 33.12 2wbd s MET 294 CO 0.25 0.28 0.48 0.00 0.00 0.00 0.00 175.02 176.04 2wbd s ALA 295 N -2.52 -1.48 0.06 3.03 0.00 -1.26 -2.03 121.76 117.57 2wbd s ALA 295 Ca 0.31 1.59 0.02 0.00 0.00 0.00 0.00 51.96 53.88 2wbd s ALA 295 Cb -0.03 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 2wbd s ALA 295 CO 0.16 -0.99 -0.07 -0.08 0.00 0.00 0.00 175.76 174.78 2wbd s THR 296 N 2.69 0.58 -2.64 0.00 -1.32 -0.18 -1.34 115.64 113.44 2wbd s THR 296 Ca 0.04 -1.44 0.25 0.00 -1.21 0.00 0.00 61.69 59.33 2wbd s THR 296 Cb -0.13 -1.06 0.41 0.00 -1.51 0.00 0.00 72.50 70.21 2wbd s THR 296 CO -0.16 -0.60 1.53 0.35 -2.21 0.00 0.00 174.62 173.53 2wbd n THR 297 N 0.82 0.07 0.00 5.08 -2.24 0.46 -0.30 114.28 118.18 2wbd n THR 297 Ca -0.18 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2wbd n THR 297 Cb 0.57 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 2wbd n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wbd n GLY 298 N 1.26 2.74 0.11 3.38 0.00 -1.26 -4.73 105.19 106.69 2wbd n GLY 298 Ca 0.17 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.53 2wbd n GLY 298 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wbd h LYS 299 N 0.00 0.00 -2.02 1.61 1.57 -1.98 -3.49 116.57 112.26 2wbd h LYS 299 Ca 0.00 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.98 2wbd h LYS 299 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.18 2wbd h LYS 299 CO 0.00 0.38 0.60 -1.83 -0.57 0.00 0.00 179.45 178.04 2wbd s GLU 300 N -2.94 0.79 0.21 3.15 -1.05 -1.26 -5.14 118.70 112.45 2wbd s GLU 300 Ca -0.00 -0.38 -0.32 0.00 -0.15 0.00 0.00 54.97 54.12 2wbd s GLU 300 Cb 0.08 0.31 -0.13 0.00 -0.44 0.00 0.00 34.13 33.95 2wbd s GLU 300 CO 0.79 -0.35 1.61 0.00 0.95 0.00 0.00 175.26 178.25 2wbd n ALA 301 N -0.34 2.07 -0.29 -0.84 0.00 -1.26 -0.40 120.51 119.45 2wbd n ALA 301 Ca -0.06 0.41 0.11 0.00 0.00 0.00 0.00 53.44 53.90 2wbd n ALA 301 Cb 0.61 -2.42 0.26 0.00 0.00 0.00 0.00 19.45 17.90 2wbd n ALA 301 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wbd h VAL 302 N 3.57 0.43 0.00 0.00 2.07 -1.50 -1.65 116.25 119.16 2wbd h VAL 302 Ca -0.45 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2wbd h VAL 302 Cb 1.23 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2wbd h VAL 302 CO 0.88 0.05 0.00 -0.07 0.02 0.00 0.00 177.57 178.46 2wbd h LEU 303 N 0.30 0.00 -1.31 2.57 3.38 -1.91 -2.70 115.31 115.64 2wbd h LEU 303 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2wbd h LEU 303 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2wbd h LEU 303 CO -0.57 0.00 -0.12 0.47 0.09 0.00 0.00 178.44 178.31 2wbd n ASP 304 N -2.63 2.16 -4.70 -0.43 8.00 -0.62 -1.78 116.55 116.54 2wbd n ASP 304 Ca -0.00 -1.63 -0.42 0.00 0.71 0.00 0.00 54.79 53.44 2wbd n ASP 304 Cb 0.17 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 2wbd n ASP 304 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wbd s VAL 305 N -2.15 3.54 -0.34 2.53 1.01 -1.02 -4.97 120.40 119.00 2wbd s VAL 305 Ca 0.29 1.05 -0.24 0.00 0.00 0.00 0.00 61.98 63.08 2wbd s VAL 305 Cb 0.20 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.91 2wbd s VAL 305 CO 0.39 0.05 0.80 -0.63 0.00 0.00 0.00 175.10 175.71 2wbd s ILE 306 N 1.63 4.75 0.55 2.22 -1.09 -1.26 -4.23 121.20 123.77 2wbd s ILE 306 Ca 0.64 1.07 -0.18 0.00 -2.23 0.00 0.00 60.65 59.95 2wbd s ILE 306 Cb -0.34 -4.19 -0.06 0.00 -1.58 0.00 0.00 42.46 36.29 2wbd s ILE 306 CO 0.29 -0.35 1.07 -2.84 -1.23 0.00 0.00 174.94 171.88 2wbd s PRO 307 N 3.07 3.45 0.00 2.79 0.02 -1.26 -4.95 135.00 138.12 2wbd s PRO 307 Ca 0.33 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.72 2wbd s PRO 307 Cb -0.13 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.34 2wbd s PRO 307 CO 0.15 -0.72 0.05 0.25 -0.33 0.00 0.00 177.00 176.39 2wbd n THR 308 N -1.50 0.00 -3.72 0.99 -2.24 -1.26 -4.84 114.28 101.71 2wbd n THR 308 Ca 0.10 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 2wbd n THR 308 Cb 0.52 1.08 -0.15 0.00 -2.10 0.00 0.00 70.33 69.68 2wbd n THR 308 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wbd s ASP 309 N -0.46 0.14 0.56 3.42 2.15 -1.26 -5.05 116.67 116.18 2wbd s ASP 309 Ca 0.00 0.36 0.25 0.00 0.43 0.00 0.00 52.55 53.58 2wbd s ASP 309 Cb 0.00 0.27 1.50 0.00 -0.30 0.00 0.00 42.92 44.40 2wbd s ASP 309 CO 0.00 -0.18 2.10 0.16 -0.17 0.00 0.00 175.17 177.08 2wbd h ILE 310 N 6.14 0.68 -0.46 4.11 3.07 -1.95 -1.01 117.51 128.10 2wbd h ILE 310 Ca -0.33 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.08 2wbd h ILE 310 Cb 1.13 0.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 2wbd h ILE 310 CO 0.32 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.83 2wbd n HIS 311 N -4.15 1.62 -1.95 0.16 8.25 -1.26 -4.56 115.22 113.32 2wbd n HIS 311 Ca 0.02 -0.78 -0.35 0.00 -0.26 0.00 0.00 57.72 56.35 2wbd n HIS 311 Cb 0.31 -0.42 0.04 0.00 1.12 0.00 0.00 29.99 31.04 2wbd n HIS 311 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2wbd s GLN 312 N -2.72 2.92 0.01 -0.41 -2.07 -0.39 -4.86 119.66 112.13 2wbd s GLN 312 Ca 0.50 1.72 -0.03 0.00 -1.82 0.00 0.00 55.36 55.73 2wbd s GLN 312 Cb 0.38 -1.93 -0.04 0.00 -1.09 0.00 0.00 33.01 30.33 2wbd s GLN 312 CO 0.14 -1.22 0.20 1.03 -1.32 0.00 0.00 175.29 174.12 2wbd s ARG 313 N -3.49 3.46 0.07 9.60 0.52 -1.26 -1.67 118.95 126.17 2wbd s ARG 313 Ca 0.75 -0.31 0.06 0.00 -0.52 0.00 0.00 55.73 55.70 2wbd s ARG 313 Cb -0.28 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 2wbd s ARG 313 CO 0.34 0.65 -0.16 0.00 0.02 0.00 0.00 175.30 176.16 2wbd s ALA 314 N -1.37 1.32 0.41 2.13 0.00 -0.30 -4.79 121.76 119.15 2wbd s ALA 314 Ca 0.29 -1.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 2wbd s ALA 314 Cb -0.13 -0.16 -0.11 0.00 0.00 0.00 0.00 23.12 22.73 2wbd s ALA 314 CO 0.21 0.23 0.90 -2.14 0.00 0.00 0.00 175.76 174.95 2wbd s PRO 315 N -1.60 4.18 -0.02 0.00 0.02 -1.10 -3.89 135.00 132.58 2wbd s PRO 315 Ca 0.01 1.02 -0.00 0.00 0.02 0.00 0.00 61.00 62.04 2wbd s PRO 315 Cb -0.09 -2.24 0.03 0.00 0.02 0.00 0.00 34.50 32.22 2wbd s PRO 315 CO 0.02 0.01 0.03 0.54 -0.33 0.00 0.00 177.00 177.28 2wbd s VAL 316 N -2.13 -0.05 -0.10 3.83 0.11 -0.43 -4.03 120.40 117.60 2wbd s VAL 316 Ca 0.60 0.24 0.01 0.00 -2.93 0.00 0.00 61.98 59.90 2wbd s VAL 316 Cb -0.09 -0.11 0.02 0.00 -1.53 0.00 0.00 36.38 34.67 2wbd s VAL 316 CO 0.14 0.11 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.28 2wbd s ILE 317 N 1.25 1.18 0.13 7.04 1.09 0.59 -0.83 121.20 131.64 2wbd s ILE 317 Ca -0.07 -0.43 -0.12 0.00 -1.10 0.00 0.00 60.65 58.93 2wbd s ILE 317 Cb -0.13 -1.13 0.01 0.00 -1.06 0.00 0.00 42.46 40.16 2wbd s ILE 317 CO -0.03 0.38 0.32 -1.48 -0.10 0.00 0.00 174.94 174.04 2wbd s LEU 318 N 1.23 0.80 0.00 2.97 0.05 -0.72 -1.01 118.68 122.02 2wbd s LEU 318 Ca -0.03 -0.55 0.00 0.00 0.05 0.00 0.00 54.13 53.60 2wbd s LEU 318 Cb -0.14 1.49 0.00 0.00 -2.05 0.00 0.00 46.19 45.49 2wbd s LEU 318 CO -0.04 -0.84 0.00 0.61 -0.55 0.00 0.00 176.35 175.53 2wbd n GLY 319 N -0.18 0.46 3.63 -3.48 0.00 -0.86 -0.95 105.19 103.80 2wbd n GLY 319 Ca -0.13 -1.80 -0.46 0.00 0.00 0.00 0.00 46.02 43.62 2wbd n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wbd n SER 320 N 0.00 2.05 -0.17 1.61 7.64 0.66 -1.75 113.62 123.66 2wbd n SER 320 Ca 0.00 1.15 -0.06 0.00 1.01 0.00 0.00 58.87 60.96 2wbd n SER 320 Cb 0.00 -1.33 0.03 0.00 -1.01 0.00 0.00 64.21 61.90 2wbd n SER 320 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2wbd h PRO 321 N 3.60 0.64 -0.79 1.43 0.13 -1.73 -1.61 132.00 133.67 2wbd h PRO 321 Ca -0.44 -0.04 0.10 0.00 -0.87 0.00 0.00 66.00 64.75 2wbd h PRO 321 Cb 1.31 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 2wbd h PRO 321 CO 0.71 0.42 0.52 -0.44 -0.23 0.00 0.00 178.00 178.98 2wbd h ASP 322 N 0.66 0.64 -0.03 1.44 5.19 -1.61 0.53 116.42 123.24 2wbd h ASP 322 Ca 0.20 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.51 2wbd h ASP 322 Cb -0.04 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 39.36 2wbd h ASP 322 CO -0.06 0.38 -0.43 0.44 -3.12 0.00 0.00 179.24 176.44 2wbd h ASP 323 N 0.71 0.44 -0.15 6.45 3.32 -1.61 -1.55 116.42 124.02 2wbd h ASP 323 Ca 0.37 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2wbd h ASP 323 Cb 0.47 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2wbd h ASP 323 CO -0.14 1.09 0.09 0.58 -1.72 0.00 0.00 179.24 179.14 2wbd h VAL 324 N -0.18 1.03 -0.71 -1.35 2.07 -1.03 0.15 116.25 116.23 2wbd h VAL 324 Ca -0.05 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.51 2wbd h VAL 324 Cb 1.13 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 2wbd h VAL 324 CO 0.09 0.03 0.34 -0.07 0.02 0.00 0.00 177.57 177.98 2wbd h LEU 325 N 0.19 0.42 -0.73 2.57 3.38 -0.92 0.11 115.31 120.32 2wbd h LEU 325 Ca 0.06 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2wbd h LEU 325 Cb -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2wbd h LEU 325 CO -0.02 0.23 0.21 -0.08 0.09 0.00 0.00 178.44 178.87 2wbd h GLU 326 N 0.57 1.15 -0.29 1.13 4.81 -0.90 -0.42 114.58 120.62 2wbd h GLU 326 Ca 0.36 -0.26 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2wbd h GLU 326 Cb 0.41 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2wbd h GLU 326 CO -0.29 0.99 0.03 0.35 -0.73 0.00 0.00 179.01 179.35 2wbd h PHE 327 N 1.09 0.04 -0.72 0.92 3.57 0.63 -2.85 116.94 119.61 2wbd h PHE 327 Ca 0.23 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.78 2wbd h PHE 327 Cb 0.34 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 2wbd h PHE 327 CO 0.03 -0.02 0.46 -0.07 -2.23 0.00 0.00 178.31 176.48 2wbd h LEU 328 N 0.12 0.76 -0.58 0.59 3.38 -0.11 0.20 115.31 119.68 2wbd h LEU 328 Ca 0.14 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.21 2wbd h LEU 328 Cb 0.16 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 40.63 2wbd h LEU 328 CO -0.21 0.53 -0.20 0.50 0.09 0.00 0.00 178.44 179.16 2wbd h LYS 329 N 0.90 -0.06 -0.43 1.13 3.64 -1.01 0.21 116.57 120.95 2wbd h LYS 329 Ca 0.28 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.54 2wbd h LYS 329 Cb -0.01 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2wbd h LYS 329 CO -0.10 -0.04 -0.22 0.28 -2.27 0.00 0.00 179.45 177.11 2wbd h VAL 330 N -0.06 1.27 -0.56 2.00 2.07 -1.14 -1.72 116.25 118.11 2wbd h VAL 330 Ca 0.27 -1.36 0.02 0.00 0.82 0.00 0.00 66.70 66.45 2wbd h VAL 330 Cb 0.48 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2wbd h VAL 330 CO -0.62 0.46 0.35 0.22 0.02 0.00 0.00 177.57 178.00 2wbd h TYR 331 N 0.76 0.67 -0.26 1.57 3.20 0.25 -2.65 116.97 120.52 2wbd h TYR 331 Ca 0.10 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.81 2wbd h TYR 331 Cb 0.76 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 2wbd h TYR 331 CO 0.04 0.40 -0.57 1.49 -1.64 0.00 0.00 178.16 177.89 2wbd h GLU 332 N 0.71 0.80 -1.21 1.82 4.81 -0.50 -1.47 114.58 119.55 2wbd h GLU 332 Ca 0.21 -0.52 0.35 0.00 -0.13 0.00 0.00 59.36 59.27 2wbd h GLU 332 Cb -0.03 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.32 2wbd h GLU 332 CO -0.07 1.15 0.82 -0.22 -0.73 0.00 0.00 179.01 179.95 2wbd h LYS 333 N 0.61 0.17 -0.01 1.92 3.64 -0.97 -0.00 116.57 121.92 2wbd h LYS 333 Ca 0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wbd h LYS 333 Cb 1.16 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2wbd h LYS 333 CO 0.12 0.11 -0.65 0.72 -2.27 0.00 0.00 179.45 177.48 2wbd n HIS 334 N -4.46 0.00 -2.49 1.91 8.25 -0.64 -4.95 115.22 112.85 2wbd n HIS 334 Ca 0.29 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.38 2wbd n HIS 334 Cb 1.19 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 32.22 2wbd n HIS 334 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2wbd s SER 335 N -2.75 6.77 0.00 0.41 0.01 -0.02 -5.03 113.70 113.09 2wbd s SER 335 Ca 0.14 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.52 2wbd s SER 335 Cb 0.17 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2wbd s SER 335 CO 0.70 -0.49 0.00 0.00 0.41 0.00 0.00 173.24 173.86