#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwp s ASN 2 N 0.00 5.87 0.52 7.83 2.47 -0.06 -4.94 114.94 126.63 2kwp s ASN 2 Ca 0.00 -0.63 0.22 0.00 0.42 0.00 0.00 52.86 52.87 2kwp s ASN 2 Cb 0.00 -2.08 1.41 0.00 -1.45 0.00 0.00 41.25 39.13 2kwp s ASN 2 CO 0.00 -0.29 2.12 0.11 -3.72 0.00 0.00 177.10 175.33 2kwp h LYS 3 N 8.47 0.00 -0.89 0.43 1.79 -1.91 -2.14 116.57 122.32 2kwp h LYS 3 Ca -0.30 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.23 2kwp h LYS 3 Cb 1.14 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.73 2kwp h LYS 3 CO 0.65 0.07 0.57 0.93 -1.08 0.00 0.00 179.45 180.59 2kwp h GLU 4 N 0.00 1.02 0.14 3.15 4.39 -1.93 0.32 114.58 121.67 2kwp h GLU 4 Ca -0.00 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2kwp h GLU 4 Cb 0.16 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2kwp h GLU 4 CO 0.01 0.68 -0.07 0.82 -1.16 0.00 0.00 179.01 179.29 2kwp h ILE 5 N 1.05 0.90 -0.13 3.13 2.04 -1.71 0.22 117.51 123.03 2kwp h ILE 5 Ca 0.38 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 66.03 2kwp h ILE 5 Cb 0.12 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2kwp h ILE 5 CO -0.16 0.04 -0.17 -0.07 0.00 0.00 0.00 178.15 177.80 2kwp h LEU 6 N -0.26 0.19 -0.38 1.44 3.38 -1.48 -2.45 115.31 115.76 2kwp h LEU 6 Ca -0.02 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 2kwp h LEU 6 Cb 0.21 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2kwp h LEU 6 CO 0.03 0.38 -0.62 0.00 0.09 0.00 0.00 178.44 178.33 2kwp h ALA 7 N 1.64 0.55 -0.11 1.53 0.00 0.12 -2.98 119.26 120.01 2kwp h ALA 7 Ca 0.04 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2kwp h ALA 7 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2kwp h ALA 7 CO 0.03 0.70 -0.21 0.28 0.00 0.00 0.00 179.25 180.04 2kwp h VAL 8 N 0.50 1.21 -0.11 0.00 2.07 -0.13 -2.24 116.25 117.54 2kwp h VAL 8 Ca -0.01 -0.95 -0.11 0.00 0.82 0.00 0.00 66.70 66.46 2kwp h VAL 8 Cb 1.20 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 2kwp h VAL 8 CO 0.12 0.29 -0.42 0.58 0.02 0.00 0.00 177.57 178.16 2kwp h VAL 9 N 0.18 1.31 -0.09 2.57 2.07 -1.32 -2.40 116.25 118.58 2kwp h VAL 9 Ca 0.03 -1.55 -0.12 0.00 0.82 0.00 0.00 66.70 65.88 2kwp h VAL 9 Cb 0.47 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2kwp h VAL 9 CO 0.03 0.47 -0.47 -0.33 0.02 0.00 0.00 177.57 177.29 2kwp h GLU 10 N 0.22 0.22 -0.09 1.57 5.08 -1.27 -0.23 114.58 120.08 2kwp h GLU 10 Ca 0.02 -0.12 -0.20 0.00 -1.00 0.00 0.00 59.36 58.06 2kwp h GLU 10 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2kwp h GLU 10 CO 0.07 0.65 -0.77 0.00 -1.00 0.00 0.00 179.01 177.95 2kwp h ALA 11 N 1.33 0.48 0.00 3.43 0.00 -1.25 -2.19 119.26 121.06 2kwp h ALA 11 Ca 0.01 -0.62 -0.18 0.00 0.00 0.00 0.00 54.91 54.12 2kwp h ALA 11 Cb 0.90 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2kwp h ALA 11 CO 0.07 0.74 -0.87 0.28 0.00 0.00 0.00 179.25 179.48 2kwp h VAL 12 N 0.35 1.62 -0.10 0.00 2.07 -1.28 -2.53 116.25 116.37 2kwp h VAL 12 Ca -0.04 -2.98 -0.19 0.00 0.82 0.00 0.00 66.70 64.31 2kwp h VAL 12 Cb 1.37 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.75 2kwp h VAL 12 CO 0.14 0.85 -0.72 0.28 0.02 0.00 0.00 177.57 178.14 2kwp h SER 13 N 0.00 0.58 0.13 0.57 0.02 -1.00 -0.08 113.55 113.76 2kwp h SER 13 Ca -0.01 -0.37 -0.20 0.00 -0.84 0.00 0.00 61.79 60.37 2kwp h SER 13 Cb 1.54 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2kwp h SER 13 CO 0.11 1.12 -0.78 0.78 -1.14 0.00 0.00 176.83 176.92 2kwp h ASN 14 N 0.34 0.65 -0.03 3.07 2.35 -1.41 1.38 115.58 121.94 2kwp h ASN 14 Ca -0.03 -0.44 -0.13 0.00 -0.55 0.00 0.00 56.30 55.14 2kwp h ASN 14 Cb 1.30 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 39.48 2kwp h ASN 14 CO 0.13 1.21 -0.50 -0.08 -1.65 0.00 0.00 177.43 176.54 2kwp h GLU 15 N 0.36 0.38 -0.31 0.81 4.81 -1.43 -3.25 114.58 115.95 2kwp h GLU 15 Ca -0.05 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2kwp h GLU 15 Cb 1.38 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.86 2kwp h GLU 15 CO 0.14 1.04 0.00 1.63 -0.73 0.00 0.00 179.01 181.10 2kwp n LYS 16 N -4.29 2.30 -2.05 1.92 4.76 -0.05 -4.91 118.16 115.85 2kwp n LYS 16 Ca -0.10 -1.97 -0.04 0.00 -2.87 0.00 0.00 58.31 53.34 2kwp n LYS 16 Cb 0.62 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.32 2kwp n LYS 16 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kwp n ALA 17 N 1.19 -0.65 -2.39 7.82 0.00 0.47 -4.88 120.51 122.08 2kwp n ALA 17 Ca 0.18 0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.43 2kwp n ALA 17 Cb 0.54 -0.75 0.01 0.00 0.00 0.00 0.00 19.45 19.24 2kwp n ALA 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kwp s LEU 18 N -4.35 3.71 0.28 0.00 1.43 -1.07 -4.98 118.68 113.71 2kwp s LEU 18 Ca 0.00 0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 53.21 2kwp s LEU 18 Cb 0.00 -3.28 -0.10 0.00 0.03 0.00 0.00 46.19 42.85 2kwp s LEU 18 CO 0.00 -0.61 1.26 -2.16 0.23 0.00 0.00 176.35 175.07 2kwp s PRO 19 N -4.54 4.43 0.27 1.29 0.04 -1.26 -4.58 135.00 130.65 2kwp s PRO 19 Ca 0.47 2.08 -0.02 0.00 0.04 0.00 0.00 61.00 63.57 2kwp s PRO 19 Cb -0.10 -3.13 0.44 0.00 0.04 0.00 0.00 34.50 31.75 2kwp s PRO 19 CO 0.38 -0.12 1.86 0.00 0.04 0.00 0.00 177.00 179.17 2kwp h ARG 20 N 4.03 1.06 -0.10 4.56 3.08 -1.97 -2.15 114.38 122.90 2kwp h ARG 20 Ca -0.47 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 59.56 2kwp h ARG 20 Cb 1.22 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.98 2kwp h ARG 20 CO 0.69 0.70 -0.24 0.93 -1.07 0.00 0.00 179.97 180.99 2kwp h GLU 21 N 1.10 -0.30 -0.50 0.04 5.08 -1.99 -0.88 114.58 117.12 2kwp h GLU 21 Ca 0.45 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.92 2kwp h GLU 21 Cb 0.27 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 2kwp h GLU 21 CO -0.20 -0.20 0.04 -0.22 -1.00 0.00 0.00 179.01 177.43 2kwp h LYS 22 N -0.32 0.16 -0.25 2.33 1.63 -1.78 -1.26 116.57 117.07 2kwp h LYS 22 Ca 0.09 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.94 2kwp h LYS 22 Cb 0.45 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.99 2kwp h LYS 22 CO -0.28 0.10 -0.09 0.82 -3.45 0.00 0.00 179.45 176.55 2kwp h ILE 23 N 0.16 0.69 -0.82 2.00 2.04 -1.00 0.13 117.51 120.72 2kwp h ILE 23 Ca 0.26 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.32 2kwp h ILE 23 Cb 0.37 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 2kwp h ILE 23 CO -0.38 0.00 0.56 -0.26 0.00 0.00 0.00 178.15 178.06 2kwp h PHE 24 N -0.04 0.31 0.13 1.37 0.04 -0.05 0.36 116.94 119.06 2kwp h PHE 24 Ca 0.13 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 2kwp h PHE 24 Cb 0.24 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2kwp h PHE 24 CO -0.28 0.09 -0.06 1.49 -0.60 0.00 0.00 178.31 178.95 2kwp h GLU 25 N 0.24 -0.17 -0.39 1.51 4.81 -0.03 -0.44 114.58 120.10 2kwp h GLU 25 Ca 0.41 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 2kwp h GLU 25 Cb 1.23 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 2kwp h GLU 25 CO -0.10 -0.02 0.21 0.00 -0.73 0.00 0.00 179.01 178.38 2kwp h ALA 26 N 0.56 0.50 -0.37 2.92 0.00 -0.64 -2.09 119.26 120.14 2kwp h ALA 26 Ca -0.02 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2kwp h ALA 26 Cb 0.23 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 2kwp h ALA 26 CO 0.03 0.03 -0.10 -0.07 0.00 0.00 0.00 179.25 179.14 2kwp h LEU 27 N 0.50 -0.35 -0.55 0.00 3.38 -0.84 -0.37 115.31 117.08 2kwp h LEU 27 Ca 0.14 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.30 2kwp h LEU 27 Cb 0.06 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 2kwp h LEU 27 CO -0.02 -0.13 0.20 -0.33 0.09 0.00 0.00 178.44 178.25 2kwp h GLU 28 N -0.01 0.36 -0.50 1.13 5.08 -0.70 0.22 114.58 120.17 2kwp h GLU 28 Ca 0.18 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.62 2kwp h GLU 28 Cb 0.28 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2kwp h GLU 28 CO -0.38 0.24 0.34 0.77 -1.00 0.00 0.00 179.01 178.98 2kwp h SER 29 N 0.38 0.18 0.02 1.42 0.02 -0.42 0.84 113.55 115.99 2kwp h SER 29 Ca 0.27 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.10 2kwp h SER 29 Cb 0.31 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.83 2kwp h SER 29 CO -0.28 0.11 -0.49 0.00 -1.14 0.00 0.00 176.83 175.03 2kwp h ALA 30 N 1.75 0.03 0.09 3.77 0.00 0.38 -1.87 119.26 123.41 2kwp h ALA 30 Ca 0.23 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kwp h ALA 30 Cb 0.65 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kwp h ALA 30 CO -0.04 0.25 -0.04 -0.07 0.00 0.00 0.00 179.25 179.35 2kwp h LEU 31 N -0.31 -0.10 -0.35 0.00 -0.00 -0.08 0.41 115.31 114.89 2kwp h LEU 31 Ca -0.07 -0.05 0.01 0.00 -0.00 0.00 0.00 57.88 57.77 2kwp h LEU 31 Cb 1.25 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.91 2kwp h LEU 31 CO 0.10 -0.02 0.22 0.00 -0.00 0.00 0.00 178.44 178.74 2kwp h ALA 32 N 0.74 0.44 -0.55 1.53 0.00 -0.97 1.61 119.26 122.05 2kwp h ALA 32 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2kwp h ALA 32 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2kwp h ALA 32 CO 0.02 -0.11 0.25 1.15 0.00 0.00 0.00 179.25 180.56 2kwp h THR 33 N 0.45 1.21 0.00 0.00 2.02 -1.11 -1.17 112.91 114.31 2kwp h THR 33 Ca 0.13 -0.60 -0.15 0.00 0.77 0.00 0.00 66.41 66.55 2kwp h THR 33 Cb -0.04 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2kwp h THR 33 CO -0.04 0.24 -0.72 0.00 0.37 0.00 0.00 175.52 175.37 2kwp h ALA 34 N 1.09 0.78 -0.24 6.16 0.00 0.28 -3.02 119.26 124.32 2kwp h ALA 34 Ca 0.19 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2kwp h ALA 34 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kwp h ALA 34 CO -0.02 0.90 0.01 1.15 0.00 0.00 0.00 179.25 181.29 2kwp h THR 35 N 0.00 1.25 0.00 0.00 2.02 0.28 -2.45 112.91 114.01 2kwp h THR 35 Ca -0.01 -0.85 -0.02 0.00 0.77 0.00 0.00 66.41 66.30 2kwp h THR 35 Cb 1.30 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 69.04 2kwp h THR 35 CO 0.09 0.27 -0.10 0.07 0.37 0.00 0.00 175.52 176.22 2kwp h LYS 36 N 0.19 0.00 -0.85 6.66 2.10 -1.24 -2.45 116.57 120.98 2kwp h LYS 36 Ca 0.07 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.77 2kwp h LYS 36 Cb 0.38 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.66 2kwp h LYS 36 CO 0.01 0.10 0.56 0.87 -2.00 0.00 0.00 179.45 178.99 2kwp h LYS 37 N 0.00 0.97 -1.00 0.07 1.57 -1.30 -0.08 116.57 116.80 2kwp h LYS 37 Ca -0.00 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2kwp h LYS 37 Cb 0.33 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 2kwp h LYS 37 CO 0.01 0.64 0.66 -0.22 -0.57 0.00 0.00 179.45 179.97 2kwp h LYS 38 N 1.00 1.25 -0.07 3.15 3.64 -1.48 -1.94 116.57 122.13 2kwp h LYS 38 Ca 0.35 -0.08 -0.20 0.00 -1.27 0.00 0.00 60.65 59.46 2kwp h LYS 38 Cb 0.12 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2kwp h LYS 38 CO -0.12 0.83 -0.78 1.88 -2.27 0.00 0.00 179.45 178.99 2kwp h TYR 39 N 1.29 0.61 -0.11 1.91 0.05 -1.33 -3.46 116.97 115.93 2kwp h TYR 39 Ca 0.39 -0.29 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 2kwp h TYR 39 Cb -0.05 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 2kwp h TYR 39 CO -0.00 1.06 -0.04 -1.91 -1.05 0.00 0.00 178.16 176.22 2kwp n GLU 40 N -3.82 -1.01 -0.45 4.88 2.13 -0.17 -4.82 120.64 117.37 2kwp n GLU 40 Ca -0.05 0.40 0.08 0.00 0.66 0.00 0.00 57.16 58.24 2kwp n GLU 40 Cb 0.74 -4.24 0.26 0.00 0.27 0.00 0.00 31.44 28.48 2kwp n GLU 40 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2kwp n GLN 41 N -1.24 3.20 -4.02 5.31 6.02 -1.26 -4.97 117.38 120.43 2kwp n GLN 41 Ca -0.02 -2.70 -0.35 0.00 -0.01 0.00 0.00 57.00 53.92 2kwp n GLN 41 Cb 0.29 -1.76 -0.01 0.00 1.02 0.00 0.00 30.24 29.78 2kwp n GLN 41 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2kwp n GLU 42 N 0.03 -1.33 -2.98 -1.09 1.02 -1.26 -4.80 120.64 110.23 2kwp n GLU 42 Ca 0.20 0.24 -0.26 0.00 -0.02 0.00 0.00 57.16 57.32 2kwp n GLU 42 Cb 0.81 -3.58 -0.00 0.00 -0.02 0.00 0.00 31.44 28.65 2kwp n GLU 42 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2kwp s ILE 43 N -3.81 4.93 -0.41 -3.67 -4.36 -1.25 -4.70 121.20 107.92 2kwp s ILE 43 Ca 0.26 -0.14 -0.25 0.00 -0.26 0.00 0.00 60.65 60.26 2kwp s ILE 43 Cb -0.13 -3.84 0.02 0.00 1.25 0.00 0.00 42.46 39.77 2kwp s ILE 43 CO 0.94 -0.69 0.89 -0.62 0.24 0.00 0.00 174.94 175.70 2kwp s ASP 44 N -4.08 6.56 -0.02 4.36 -1.08 -1.25 -4.83 116.67 116.33 2kwp s ASP 44 Ca 0.44 0.30 0.08 0.00 -0.52 0.00 0.00 52.55 52.85 2kwp s ASP 44 Cb -0.10 -2.44 -0.02 0.00 -1.46 0.00 0.00 42.92 38.90 2kwp s ASP 44 CO 0.41 -0.93 -0.26 -0.69 0.52 0.00 0.00 175.17 174.22 2kwp s VAL 45 N 3.53 2.03 -0.09 1.11 1.01 -1.26 -2.06 120.40 124.67 2kwp s VAL 45 Ca 0.36 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2kwp s VAL 45 Cb -0.11 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 2kwp s VAL 45 CO 0.22 0.57 -0.14 -0.60 0.00 0.00 0.00 175.10 175.15 2kwp s ARG 46 N -0.59 2.97 -0.04 2.72 3.52 0.48 -4.77 118.95 123.23 2kwp s ARG 46 Ca 0.09 -0.71 0.04 0.00 -0.13 0.00 0.00 55.73 55.03 2kwp s ARG 46 Cb -0.10 -2.49 -0.00 0.00 -1.56 0.00 0.00 34.95 30.79 2kwp s ARG 46 CO -0.01 0.39 -0.17 0.14 -0.81 0.00 0.00 175.30 174.84 2kwp s VAL 47 N -0.13 1.46 -0.06 7.11 -7.23 -1.26 0.13 120.40 120.42 2kwp s VAL 47 Ca -0.01 -0.73 0.05 0.00 -1.81 0.00 0.00 61.98 59.47 2kwp s VAL 47 Cb -0.14 -1.25 -0.02 0.00 0.56 0.00 0.00 36.38 35.53 2kwp s VAL 47 CO 0.04 0.42 -0.19 -1.10 -0.31 0.00 0.00 175.10 173.95 2kwp s GLN 48 N 0.03 2.54 0.04 4.82 -0.21 -0.64 -4.84 119.66 121.41 2kwp s GLN 48 Ca -0.04 -0.79 0.04 0.00 0.02 0.00 0.00 55.36 54.59 2kwp s GLN 48 Cb -0.12 -2.29 -0.04 0.00 1.00 0.00 0.00 33.01 31.57 2kwp s GLN 48 CO 0.02 0.50 -0.04 0.42 -2.12 0.00 0.00 175.29 174.08 2kwp s ILE 49 N -0.44 3.82 -0.29 1.08 1.01 -1.26 0.15 121.20 125.26 2kwp s ILE 49 Ca 0.05 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 2kwp s ILE 49 Cb -0.12 -2.73 0.04 0.00 0.01 0.00 0.00 42.46 39.66 2kwp s ILE 49 CO 0.02 0.27 0.02 -1.81 0.00 0.00 0.00 174.94 173.44 2kwp s ASP 50 N -1.80 4.87 0.08 3.58 1.01 0.57 -4.90 116.67 120.07 2kwp s ASP 50 Ca 0.21 -1.06 -0.22 0.00 0.71 0.00 0.00 52.55 52.19 2kwp s ASP 50 Cb -0.11 -1.76 -0.12 0.00 1.01 0.00 0.00 42.92 41.94 2kwp s ASP 50 CO 0.12 -0.23 1.61 -0.09 0.21 0.00 0.00 175.17 176.79 2kwp h ARG 51 N 8.08 0.17 0.35 8.23 2.43 -1.95 2.21 114.38 133.91 2kwp h ARG 51 Ca -0.26 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 2kwp h ARG 51 Cb 1.09 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 2kwp h ARG 51 CO 0.57 0.28 -0.39 0.87 -1.51 0.00 0.00 179.97 179.79 2kwp h LYS 52 N 0.03 -0.72 -0.68 0.20 1.79 -1.96 -2.65 116.57 112.59 2kwp h LYS 52 Ca 0.04 0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.49 2kwp h LYS 52 Cb 0.17 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 2kwp h LYS 52 CO -0.00 -0.48 0.16 0.77 -1.08 0.00 0.00 179.45 178.82 2kwp h SER 53 N -0.74 1.03 -0.18 0.86 0.02 -1.98 -3.47 113.55 109.08 2kwp h SER 53 Ca -0.04 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2kwp h SER 53 Cb 0.65 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2kwp h SER 53 CO -0.07 0.99 0.00 0.61 -1.14 0.00 0.00 176.83 177.23 2kwp n GLY 54 N -0.66 1.06 3.21 -3.77 0.00 0.74 -4.44 105.19 101.33 2kwp n GLY 54 Ca 0.05 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 2kwp n GLY 54 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kwp s ASP 55 N -2.55 0.09 0.05 1.61 1.47 -0.84 -0.88 116.67 115.61 2kwp s ASP 55 Ca 0.00 -0.60 0.05 0.00 1.18 0.00 0.00 52.55 53.18 2kwp s ASP 55 Cb 0.00 0.34 -0.02 0.00 -0.34 0.00 0.00 42.92 42.90 2kwp s ASP 55 CO 0.00 -0.72 -0.15 0.72 0.68 0.00 0.00 175.17 175.71 2kwp s PHE 56 N -3.70 1.27 0.19 2.11 -0.12 -1.26 0.21 117.98 116.68 2kwp s PHE 56 Ca 0.04 -0.37 0.05 0.00 -0.05 0.00 0.00 56.93 56.59 2kwp s PHE 56 Cb 0.04 -0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 41.65 2kwp s PHE 56 CO -0.10 0.05 0.22 -0.51 -0.05 0.00 0.00 175.22 174.83 2kwp s ASP 57 N -1.26 5.87 -0.12 1.98 1.01 0.12 -4.88 116.67 119.39 2kwp s ASP 57 Ca 0.01 -0.04 -0.02 0.00 0.71 0.00 0.00 52.55 53.22 2kwp s ASP 57 Cb -0.08 -1.63 -0.03 0.00 1.01 0.00 0.00 42.92 42.19 2kwp s ASP 57 CO 0.02 0.02 -0.05 -0.89 0.21 0.00 0.00 175.17 174.47 2kwp s THR 58 N -1.86 3.79 0.09 -1.27 2.01 -1.26 -1.62 115.64 115.52 2kwp s THR 58 Ca 0.33 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.95 2kwp s THR 58 Cb -0.10 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 2kwp s THR 58 CO 0.26 0.54 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.26 2kwp s PHE 59 N -0.09 1.03 -0.06 4.92 0.08 0.34 -1.95 117.98 122.25 2kwp s PHE 59 Ca 0.01 -0.60 0.05 0.00 0.12 0.00 0.00 56.93 56.51 2kwp s PHE 59 Cb -0.13 -0.57 -0.02 0.00 -0.57 0.00 0.00 43.02 41.73 2kwp s PHE 59 CO 0.03 -0.00 -0.22 0.50 -0.10 0.00 0.00 175.22 175.42 2kwp s ARG 60 N -2.47 2.54 0.16 0.44 3.52 0.13 0.18 118.95 123.45 2kwp s ARG 60 Ca 0.02 -0.85 0.07 0.00 -0.13 0.00 0.00 55.73 54.84 2kwp s ARG 60 Cb -0.05 -2.22 -0.04 0.00 -1.56 0.00 0.00 34.95 31.08 2kwp s ARG 60 CO 0.00 0.44 -0.15 -0.98 -0.81 0.00 0.00 175.30 173.81 2kwp s ARG 61 N -0.29 1.17 0.06 5.12 1.70 -0.87 -0.46 118.95 125.37 2kwp s ARG 61 Ca 0.01 -1.40 0.01 0.00 -0.47 0.00 0.00 55.73 53.88 2kwp s ARG 61 Cb -0.13 -1.02 -0.03 0.00 -0.57 0.00 0.00 34.95 33.20 2kwp s ARG 61 CO 0.02 0.18 -0.06 -1.58 -1.08 0.00 0.00 175.30 172.79 2kwp s TRP 62 N -2.51 0.70 -0.12 5.89 0.51 -0.38 -4.49 118.94 118.54 2kwp s TRP 62 Ca 0.15 -0.73 -0.08 0.00 -2.12 0.00 0.00 56.10 53.32 2kwp s TRP 62 Cb -0.03 -0.42 -0.04 0.00 -0.81 0.00 0.00 33.47 32.16 2kwp s TRP 62 CO 0.05 -0.15 0.17 -1.17 -0.51 0.00 0.00 176.95 175.33 2kwp s LEU 63 N -2.28 4.37 0.01 2.99 2.96 -1.25 0.16 118.68 125.64 2kwp s LEU 63 Ca -0.00 0.49 -0.30 0.00 -0.22 0.00 0.00 54.13 54.09 2kwp s LEU 63 Cb -0.02 -2.13 -0.06 0.00 0.50 0.00 0.00 46.19 44.48 2kwp s LEU 63 CO -0.03 0.36 1.57 -0.69 -1.32 0.00 0.00 176.35 176.24 2kwp s VAL 64 N -0.81 3.42 0.09 1.68 1.01 -0.10 0.35 120.40 126.03 2kwp s VAL 64 Ca 0.15 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.93 2kwp s VAL 64 Cb -0.12 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2kwp s VAL 64 CO 0.04 -0.02 -0.12 0.68 0.00 0.00 0.00 175.10 175.68 2kwp s VAL 65 N 2.98 1.04 -0.31 2.92 -7.23 0.15 -2.35 120.40 117.61 2kwp s VAL 65 Ca 0.70 -1.49 0.23 0.00 -1.81 0.00 0.00 61.98 59.61 2kwp s VAL 65 Cb -0.35 -1.23 0.07 0.00 0.56 0.00 0.00 36.38 35.43 2kwp s VAL 65 CO 0.29 -0.40 1.18 -0.78 -0.31 0.00 0.00 175.10 175.08 2kwp h ASP 66 N 3.88 0.00 0.00 4.85 3.58 -1.94 -0.87 116.42 125.92 2kwp h ASP 66 Ca -0.39 -0.01 -0.22 0.00 0.42 0.00 0.00 57.03 56.82 2kwp h ASP 66 Cb 1.19 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.10 2kwp h ASP 66 CO 0.47 0.01 -0.47 -1.84 -2.88 0.00 0.00 179.24 174.52 2kwp n GLU 67 N -2.72 0.83 -1.71 0.28 0.28 -1.26 -4.86 120.64 111.48 2kwp n GLU 67 Ca 0.01 -1.76 -0.64 0.00 -0.16 0.00 0.00 57.16 54.61 2kwp n GLU 67 Cb 0.54 -1.36 -0.09 0.00 1.43 0.00 0.00 31.44 31.96 2kwp n GLU 67 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2kwp n VAL 68 N 1.35 0.11 0.11 3.84 3.14 -1.26 -4.78 118.33 120.84 2kwp n VAL 68 Ca 0.08 -0.02 -0.02 0.00 -2.96 0.00 0.00 64.34 61.42 2kwp n VAL 68 Cb 0.65 -0.76 0.21 0.00 -1.06 0.00 0.00 33.84 32.87 2kwp n VAL 68 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 2kwp h THR 69 N 5.21 1.34 -3.06 1.55 1.35 -1.99 -3.38 112.91 113.92 2kwp h THR 69 Ca -0.43 -1.65 -0.56 0.00 -0.55 0.00 0.00 66.41 63.22 2kwp h THR 69 Cb 1.35 1.80 -0.40 0.00 -1.73 0.00 0.00 68.15 69.17 2kwp h THR 69 CO 0.98 0.49 -0.76 -1.58 -0.25 0.00 0.00 175.52 174.39 2kwp s GLN 70 N -4.01 0.54 0.00 4.72 2.00 -1.26 -4.99 119.66 116.66 2kwp s GLN 70 Ca -0.04 -0.81 0.04 0.00 -2.00 0.00 0.00 55.36 52.55 2kwp s GLN 70 Cb 0.13 -1.76 0.22 0.00 0.80 0.00 0.00 33.01 32.40 2kwp s GLN 70 CO 0.77 -0.94 0.65 -0.35 -0.50 0.00 0.00 175.29 174.92 2kwp n PRO 71 N 5.00 0.13 -0.05 1.67 -0.04 -1.26 -2.35 135.00 138.10 2kwp n PRO 71 Ca -0.04 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.52 2kwp n PRO 71 Cb 0.43 -1.44 0.43 0.00 -0.04 0.00 0.00 33.50 32.88 2kwp n PRO 71 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kwp n THR 72 N -0.94 0.14 -2.00 0.52 -2.24 -1.26 -4.16 114.28 104.34 2kwp n THR 72 Ca 0.03 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.54 2kwp n THR 72 Cb 0.01 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 2kwp n THR 72 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2kwp n LYS 73 N 0.01 0.00 -3.65 -0.78 5.02 -0.99 -3.86 118.16 113.91 2kwp n LYS 73 Ca 0.16 -0.26 -0.08 0.00 -2.02 0.00 0.00 58.31 56.11 2kwp n LYS 73 Cb 0.26 0.13 -0.08 0.00 -0.02 0.00 0.00 35.03 35.32 2kwp n LYS 73 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2kwp s GLU 74 N 0.00 0.66 -0.13 1.97 2.02 -1.24 -3.74 118.70 118.25 2kwp s GLU 74 Ca 0.00 1.14 -0.05 0.00 0.02 0.00 0.00 54.97 56.08 2kwp s GLU 74 Cb 0.00 0.12 -0.04 0.00 0.10 0.00 0.00 34.13 34.32 2kwp s GLU 74 CO 0.00 -0.15 0.06 -1.50 0.02 0.00 0.00 175.26 173.69 2kwp s ILE 75 N 1.53 4.80 0.78 -1.63 2.07 0.15 -4.59 121.20 124.32 2kwp s ILE 75 Ca -0.09 -0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 58.98 2kwp s ILE 75 Cb -0.06 -3.09 0.07 0.00 0.13 0.00 0.00 42.46 39.51 2kwp s ILE 75 CO -0.18 0.56 1.13 0.42 -1.91 0.00 0.00 174.94 174.96 2kwp s THR 76 N -0.50 2.84 0.09 4.00 -4.23 -1.26 0.33 115.64 116.92 2kwp s THR 76 Ca 0.10 0.31 -0.27 0.00 -1.18 0.00 0.00 61.69 60.66 2kwp s THR 76 Cb -0.12 -2.70 -0.14 0.00 1.34 0.00 0.00 72.50 70.88 2kwp s THR 76 CO 0.02 -0.32 1.69 0.25 -0.54 0.00 0.00 174.62 175.72 2kwp h LEU 77 N -0.99 -0.37 -0.57 4.79 6.46 -1.48 -1.08 115.31 122.06 2kwp h LEU 77 Ca -0.45 0.03 0.11 0.00 -0.12 0.00 0.00 57.88 57.45 2kwp h LEU 77 Cb 1.25 0.11 -0.11 0.00 -0.73 0.00 0.00 40.66 41.19 2kwp h LEU 77 CO 0.49 -0.24 -0.18 -0.08 -0.62 0.00 0.00 178.44 177.81 2kwp h GLU 78 N -0.37 -0.04 -0.40 1.25 4.81 -1.92 0.79 114.58 118.71 2kwp h GLU 78 Ca -0.02 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2kwp h GLU 78 Cb 0.31 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2kwp h GLU 78 CO 0.02 -0.03 0.26 0.00 -0.73 0.00 0.00 179.01 178.53 2kwp h ALA 79 N 1.46 1.82 -0.41 2.92 0.00 -1.84 -0.92 119.26 122.29 2kwp h ALA 79 Ca 0.27 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2kwp h ALA 79 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2kwp h ALA 79 CO -0.61 0.14 -0.21 0.00 0.00 0.00 0.00 179.25 178.57 2kwp h ALA 80 N 1.77 0.85 -0.60 0.00 0.00 0.18 -2.20 119.26 119.25 2kwp h ALA 80 Ca 0.16 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2kwp h ALA 80 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2kwp h ALA 80 CO -0.04 0.64 0.05 0.00 0.00 0.00 0.00 179.25 179.90 2kwp h ARG 81 N 0.72 1.01 -0.16 0.00 3.08 0.45 1.47 114.38 120.95 2kwp h ARG 81 Ca 0.10 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 2kwp h ARG 81 Cb 0.73 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 2kwp h ARG 81 CO 0.06 0.96 -0.19 1.88 -1.07 0.00 0.00 179.97 181.61 2kwp h TYR 82 N 0.94 0.30 0.03 3.04 0.05 -1.13 -2.89 116.97 117.30 2kwp h TYR 82 Ca 0.18 -0.04 -0.30 0.00 0.05 0.00 0.00 58.73 58.61 2kwp h TYR 82 Cb 0.48 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.09 2kwp h TYR 82 CO 0.03 0.46 -1.74 1.49 -1.05 0.00 0.00 178.16 177.35 2kwp h GLU 83 N 0.26 0.06 -0.15 4.88 4.81 -0.82 -3.47 114.58 120.14 2kwp h GLU 83 Ca 0.05 -0.11 0.25 0.00 -0.13 0.00 0.00 59.36 59.42 2kwp h GLU 83 Cb 0.49 0.04 -0.19 0.00 0.63 0.00 0.00 28.75 29.72 2kwp h GLU 83 CO 0.03 0.67 0.08 -0.51 -0.73 0.00 0.00 179.01 178.55 2kwp s ASP 84 N -6.33 -0.24 0.63 1.04 1.01 0.50 -4.99 116.67 108.28 2kwp s ASP 84 Ca -0.08 0.05 0.28 0.00 0.71 0.00 0.00 52.55 53.51 2kwp s ASP 84 Cb 0.08 1.16 1.50 0.00 1.01 0.00 0.00 42.92 46.67 2kwp s ASP 84 CO 0.82 -0.04 1.87 -0.08 0.21 0.00 0.00 175.17 177.95 2kwp h GLU 85 N 7.34 0.00 0.00 8.23 4.81 -1.60 0.38 114.58 133.75 2kwp h GLU 85 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2kwp h GLU 85 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2kwp h GLU 85 CO -0.14 0.00 0.00 0.43 -0.73 0.00 0.00 179.01 178.57 2kwp n SER 86 N -3.27 0.43 -4.77 1.04 7.64 -1.26 -4.61 113.62 108.82 2kwp n SER 86 Ca 0.03 0.68 -0.38 0.00 1.01 0.00 0.00 58.87 60.21 2kwp n SER 86 Cb 0.54 -0.75 -0.06 0.00 -1.01 0.00 0.00 64.21 62.93 2kwp n SER 86 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kwp s LEU 87 N -4.12 4.48 0.27 -3.43 1.43 0.13 -5.06 118.68 112.38 2kwp s LEU 87 Ca -0.00 1.82 0.02 0.00 -1.03 0.00 0.00 54.13 54.94 2kwp s LEU 87 Cb 0.06 -3.76 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 2kwp s LEU 87 CO 0.19 0.05 0.11 0.20 0.23 0.00 0.00 176.35 177.13 2kwp s ASN 88 N -1.42 1.30 0.19 2.29 0.01 -1.26 -4.77 114.94 111.28 2kwp s ASN 88 Ca 0.45 -1.43 -0.32 0.00 -0.71 0.00 0.00 52.86 50.85 2kwp s ASN 88 Cb -0.21 0.23 -0.12 0.00 0.41 0.00 0.00 41.25 41.56 2kwp s ASN 88 CO 0.27 -0.78 1.76 -0.11 -1.51 0.00 0.00 177.10 176.73 2kwp n LEU 89 N -0.50 4.05 0.00 0.60 -0.00 -1.26 -1.08 117.00 118.80 2kwp n LEU 89 Ca 0.00 1.04 0.00 0.00 -0.00 0.00 0.00 56.01 57.06 2kwp n LEU 89 Cb 0.66 -1.57 0.00 0.00 -0.00 0.00 0.00 43.42 42.50 2kwp n LEU 89 CO 0.37 0.20 0.00 0.61 -0.00 0.00 0.00 177.39 178.57 2kwp n GLY 90 N 4.05 0.74 3.19 -3.96 0.00 -0.99 -4.98 105.19 103.23 2kwp n GLY 90 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 2kwp n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kwp n ASP 91 N 0.00 1.17 -4.02 1.61 8.00 -0.24 -4.80 116.55 118.26 2kwp n ASP 91 Ca 0.00 -1.97 -0.24 0.00 0.71 0.00 0.00 54.79 53.29 2kwp n ASP 91 Cb 0.00 -0.51 -0.16 0.00 -0.02 0.00 0.00 41.12 40.42 2kwp n ASP 91 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2kwp s TYR 92 N -2.44 1.38 0.14 1.24 2.02 -1.26 -0.93 117.35 117.50 2kwp s TYR 92 Ca 0.54 -0.48 -0.06 0.00 -0.37 0.00 0.00 57.07 56.70 2kwp s TYR 92 Cb -0.03 -1.01 -0.06 0.00 -0.40 0.00 0.00 41.96 40.46 2kwp s TYR 92 CO 0.36 -0.24 0.40 0.08 -1.57 0.00 0.00 175.55 174.57 2kwp s VAL 93 N 0.58 5.13 0.08 0.71 1.01 0.42 -4.87 120.40 123.46 2kwp s VAL 93 Ca -0.12 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.07 2kwp s VAL 93 Cb -0.15 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2kwp s VAL 93 CO 0.03 0.06 -0.19 -1.61 0.00 0.00 0.00 175.10 173.39 2kwp s GLU 94 N -2.56 1.14 -0.08 2.72 2.02 -1.26 -1.25 118.70 119.42 2kwp s GLU 94 Ca 0.40 -1.04 -0.26 0.00 0.02 0.00 0.00 54.97 54.09 2kwp s GLU 94 Cb -0.12 -1.32 0.06 0.00 0.10 0.00 0.00 34.13 32.85 2kwp s GLU 94 CO 0.23 0.32 0.61 0.34 0.02 0.00 0.00 175.26 176.78 2kwp s ASP 95 N -1.62 -0.58 -0.03 -0.19 2.15 0.39 -4.96 116.67 111.83 2kwp s ASP 95 Ca 0.05 0.73 -0.24 0.00 0.43 0.00 0.00 52.55 53.52 2kwp s ASP 95 Cb -0.09 0.66 -0.04 0.00 -0.30 0.00 0.00 42.92 43.14 2kwp s ASP 95 CO 0.03 -0.50 0.72 -1.10 -0.17 0.00 0.00 175.17 174.15 2kwp s GLN 96 N -0.90 4.45 0.15 4.34 -0.21 -1.26 0.17 119.66 126.40 2kwp s GLN 96 Ca -0.09 0.94 0.06 0.00 0.02 0.00 0.00 55.36 56.29 2kwp s GLN 96 Cb -0.02 -3.41 -0.04 0.00 1.00 0.00 0.00 33.01 30.54 2kwp s GLN 96 CO 0.07 0.15 -0.14 0.96 -2.12 0.00 0.00 175.29 174.22 2kwp s ILE 97 N 0.47 1.45 0.40 1.08 -4.36 -0.82 -4.82 121.20 114.60 2kwp s ILE 97 Ca 0.38 -1.94 -0.25 0.00 -0.26 0.00 0.00 60.65 58.58 2kwp s ILE 97 Cb -0.19 -1.76 -0.11 0.00 1.25 0.00 0.00 42.46 41.65 2kwp s ILE 97 CO 0.20 -0.52 0.94 -0.62 0.24 0.00 0.00 174.94 175.18 2kwp n GLU 98 N 0.12 1.22 -4.25 0.37 1.02 -1.26 -4.30 120.64 113.57 2kwp n GLU 98 Ca -0.12 0.44 -0.31 0.00 -0.02 0.00 0.00 57.16 57.15 2kwp n GLU 98 Cb 0.59 -1.93 -0.09 0.00 -0.02 0.00 0.00 31.44 29.99 2kwp n GLU 98 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kwp s SER 99 N -0.75 4.75 0.02 1.62 0.01 -1.26 -4.74 113.70 113.35 2kwp s SER 99 Ca 0.63 -0.22 -0.25 0.00 1.31 0.00 0.00 55.95 57.42 2kwp s SER 99 Cb -0.59 -1.07 -0.05 0.00 0.21 0.00 0.00 66.02 64.52 2kwp s SER 99 CO 0.57 0.21 0.78 0.68 0.41 0.00 0.00 173.24 175.89 2kwp s VAL 100 N -1.19 4.81 0.32 3.43 -7.23 -1.26 -5.00 120.40 114.28 2kwp s VAL 100 Ca 0.22 1.64 -0.29 0.00 -1.81 0.00 0.00 61.98 61.74 2kwp s VAL 100 Cb -0.11 -4.12 -0.10 0.00 0.56 0.00 0.00 36.38 32.60 2kwp s VAL 100 CO 0.14 0.32 1.29 -0.89 -0.31 0.00 0.00 175.10 175.65 2kwp s THR 101 N 0.24 2.80 0.25 5.32 2.01 -1.26 -4.90 115.64 120.10 2kwp s THR 101 Ca 0.40 0.80 -0.04 0.00 0.31 0.00 0.00 61.69 63.16 2kwp s THR 101 Cb -0.20 -3.51 0.24 0.00 0.01 0.00 0.00 72.50 69.04 2kwp s THR 101 CO 0.23 0.19 1.87 0.15 -0.69 0.00 0.00 174.62 176.36 2kwp h PHE 102 N 3.53 1.09 0.00 4.92 3.57 -1.95 0.23 116.94 128.32 2kwp h PHE 102 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2kwp h PHE 102 Cb 1.22 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2kwp h PHE 102 CO 0.56 0.56 0.00 0.38 -2.23 0.00 0.00 178.31 177.58 2kwp h ASP 103 N 1.07 0.00 -0.09 0.41 3.04 -1.99 -2.68 116.42 116.18 2kwp h ASP 103 Ca 0.40 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 54.15 2kwp h ASP 103 Cb 0.16 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.43 2kwp h ASP 103 CO -0.17 0.00 -0.03 -0.09 -2.04 0.00 0.00 179.24 176.91 2kwp h ARG 104 N 0.00 0.32 -6.40 4.15 2.43 -0.90 -3.42 114.38 110.57 2kwp h ARG 104 Ca 0.00 -0.06 -0.69 0.00 -0.81 0.00 0.00 59.98 58.42 2kwp h ARG 104 Cb 0.34 -0.05 -0.23 0.00 -0.42 0.00 0.00 29.97 29.61 2kwp h ARG 104 CO 0.00 0.38 -0.78 0.42 -1.51 0.00 0.00 179.97 178.48 2kwp s ILE 105 N -4.91 3.01 0.26 1.20 1.01 -1.01 -5.04 121.20 115.71 2kwp s ILE 105 Ca -0.06 -0.87 -0.31 0.00 0.00 0.00 0.00 60.65 59.42 2kwp s ILE 105 Cb 0.16 -2.21 -0.13 0.00 0.01 0.00 0.00 42.46 40.29 2kwp s ILE 105 CO 0.73 0.51 1.40 0.41 0.00 0.00 0.00 174.94 177.99 2kwp n THR 106 N 2.04 1.12 0.20 2.92 -1.04 -1.26 -4.85 114.28 113.41 2kwp n THR 106 Ca -0.17 -0.28 0.05 0.00 -2.04 0.00 0.00 64.05 61.62 2kwp n THR 106 Cb 0.52 -1.51 0.42 0.00 -1.82 0.00 0.00 70.33 67.94 2kwp n THR 106 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2kwp h THR 107 N 2.98 1.02 -0.74 12.58 1.35 -1.93 -2.71 112.91 125.46 2kwp h THR 107 Ca -0.45 -1.20 0.03 0.00 -0.55 0.00 0.00 66.41 64.23 2kwp h THR 107 Cb 1.27 1.69 -0.04 0.00 -1.73 0.00 0.00 68.15 69.34 2kwp h THR 107 CO 0.74 0.32 0.49 1.56 -0.25 0.00 0.00 175.52 178.37 2kwp h GLN 108 N 0.00 0.90 -0.59 4.72 4.20 -2.00 -0.59 115.11 121.75 2kwp h GLN 108 Ca -0.00 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 2kwp h GLN 108 Cb 0.66 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2kwp h GLN 108 CO 0.04 0.59 -0.00 1.15 -0.67 0.00 0.00 178.83 179.94 2kwp h THR 109 N 0.93 1.27 -0.17 -0.54 2.02 -1.85 -2.71 112.91 111.85 2kwp h THR 109 Ca 0.29 -1.15 -0.11 0.00 0.77 0.00 0.00 66.41 66.21 2kwp h THR 109 Cb 0.01 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2kwp h THR 109 CO -0.08 0.42 -0.36 0.00 0.37 0.00 0.00 175.52 175.86 2kwp h ALA 110 N 0.98 1.06 -0.07 6.16 0.00 -1.35 -2.59 119.26 123.46 2kwp h ALA 110 Ca 0.17 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2kwp h ALA 110 Cb 0.56 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kwp h ALA 110 CO 0.03 0.59 -0.02 -0.22 0.00 0.00 0.00 179.25 179.63 2kwp h LYS 111 N 0.31 0.09 -0.31 0.00 3.64 -0.82 -1.22 116.57 118.26 2kwp h LYS 111 Ca 0.03 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 2kwp h LYS 111 Cb 0.79 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2kwp h LYS 111 CO 0.06 0.12 -0.05 0.37 -2.27 0.00 0.00 179.45 177.68 2kwp h GLN 112 N 0.09 0.48 -0.00 1.90 4.15 -1.30 -2.13 115.11 118.31 2kwp h GLN 112 Ca 0.02 -0.11 -0.17 0.00 0.77 0.00 0.00 58.65 59.16 2kwp h GLN 112 Cb 0.10 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 2kwp h GLN 112 CO 0.00 0.55 -0.77 0.28 -1.93 0.00 0.00 178.83 176.96 2kwp h VAL 113 N 0.46 1.53 -0.14 2.39 2.07 -1.30 -2.43 116.25 118.83 2kwp h VAL 113 Ca 0.10 -2.58 -0.03 0.00 0.82 0.00 0.00 66.70 65.00 2kwp h VAL 113 Cb 0.37 2.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2kwp h VAL 113 CO 0.02 0.74 -0.05 0.40 0.02 0.00 0.00 177.57 178.70 2kwp h ILE 114 N 0.03 1.30 -0.50 4.57 2.04 -1.02 -0.40 117.51 123.52 2kwp h ILE 114 Ca -0.01 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.74 2kwp h ILE 114 Cb 1.36 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 2kwp h ILE 114 CO 0.10 0.30 0.05 1.62 0.00 0.00 0.00 178.15 180.22 2kwp h VAL 115 N -0.04 1.26 -0.11 1.67 3.04 -1.44 0.20 116.25 120.83 2kwp h VAL 115 Ca 0.03 -1.00 -0.01 0.00 -1.01 0.00 0.00 66.70 64.72 2kwp h VAL 115 Cb 0.49 0.93 -0.00 0.00 -2.01 0.00 0.00 31.29 30.70 2kwp h VAL 115 CO 0.02 0.35 0.04 -0.61 -1.01 0.00 0.00 177.57 176.36 2kwp h GLN 116 N 0.71 0.16 -0.11 4.17 4.15 -1.40 -2.00 115.11 120.79 2kwp h GLN 116 Ca 0.15 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.45 2kwp h GLN 116 Cb 0.45 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2kwp h GLN 116 CO 0.02 0.25 -0.33 0.87 -1.93 0.00 0.00 178.83 177.71 2kwp h LYS 117 N 0.02 0.21 -0.77 1.69 1.57 -0.97 -2.81 116.57 115.52 2kwp h LYS 117 Ca 0.04 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2kwp h LYS 117 Cb 0.15 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2kwp h LYS 117 CO -0.00 0.52 0.35 0.28 -0.57 0.00 0.00 179.45 180.03 2kwp h VAL 118 N 0.19 1.25 -0.79 0.50 2.07 -0.24 -1.88 116.25 117.35 2kwp h VAL 118 Ca 0.02 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 2kwp h VAL 118 Cb 0.68 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2kwp h VAL 118 CO 0.05 0.30 0.39 0.03 0.02 0.00 0.00 177.57 178.36 2kwp h ARG 119 N 1.09 1.12 -0.03 1.57 3.08 -1.11 -1.78 114.38 118.32 2kwp h ARG 119 Ca 0.26 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 2kwp h ARG 119 Cb 0.15 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2kwp h ARG 119 CO -0.03 0.85 -0.38 1.49 -1.07 0.00 0.00 179.97 180.84 2kwp h GLU 120 N 1.11 0.06 -0.20 0.04 4.81 -1.34 -2.56 114.58 116.51 2kwp h GLU 120 Ca 0.27 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 2kwp h GLU 120 Cb 0.10 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2kwp h GLU 120 CO -0.04 0.43 -0.13 0.00 -0.73 0.00 0.00 179.01 178.54 2kwp h ALA 121 N 1.57 1.41 -0.88 2.92 0.00 -0.54 -2.49 119.26 121.25 2kwp h ALA 121 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2kwp h ALA 121 Cb 0.69 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2kwp h ALA 121 CO 0.05 0.41 0.53 1.49 0.00 0.00 0.00 179.25 181.72 2kwp h GLU 122 N 0.30 1.19 -0.38 0.00 4.57 -1.24 -1.87 114.58 117.15 2kwp h GLU 122 Ca 0.06 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 2kwp h GLU 122 Cb 0.42 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2kwp h GLU 122 CO 0.02 0.84 -0.01 0.00 -1.18 0.00 0.00 179.01 178.69 2kwp h ARG 123 N 1.21 0.61 -7.02 1.92 3.08 -1.50 -3.43 114.38 109.25 2kwp h ARG 123 Ca 0.31 -0.15 -0.53 0.00 0.07 0.00 0.00 59.98 59.69 2kwp h ARG 123 Cb -0.04 -0.08 0.10 0.00 0.08 0.00 0.00 29.97 30.03 2kwp h ARG 123 CO -0.06 0.64 0.56 0.00 -1.07 0.00 0.00 179.97 180.04 2kwp s ALA 124 N -4.96 2.91 0.48 0.04 0.00 -0.70 -5.02 121.76 114.52 2kwp s ALA 124 Ca -0.08 1.16 0.03 0.00 0.00 0.00 0.00 51.96 53.07 2kwp s ALA 124 Cb 0.15 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.81 2kwp s ALA 124 CO 0.78 -1.03 0.68 -1.64 0.00 0.00 0.00 175.76 174.55 2kwp s MET 125 N -2.78 2.75 -0.20 0.00 -1.94 -1.26 -4.99 119.30 110.88 2kwp s MET 125 Ca 0.67 -0.87 -0.13 0.00 -1.71 0.00 0.00 55.69 53.65 2kwp s MET 125 Cb -0.35 -2.60 -0.05 0.00 2.01 0.00 0.00 34.83 33.85 2kwp s MET 125 CO 0.42 -0.47 0.27 -1.17 -0.01 0.00 0.00 175.02 174.07 2kwp s LEU 126 N -4.57 4.18 -0.45 -0.03 2.96 -1.26 -5.04 118.68 114.47 2kwp s LEU 126 Ca 0.54 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.85 2kwp s LEU 126 Cb -0.10 -2.32 0.14 0.00 0.50 0.00 0.00 46.19 44.41 2kwp s LEU 126 CO 0.36 0.04 0.26 -0.69 -1.32 0.00 0.00 176.35 175.00 2kwp s VAL 127 N 0.89 1.36 -0.31 1.68 1.01 -1.26 -4.94 120.40 118.83 2kwp s VAL 127 Ca 0.14 -2.62 0.27 0.00 0.00 0.00 0.00 61.98 59.77 2kwp s VAL 127 Cb -0.13 -1.95 0.29 0.00 0.00 0.00 0.00 36.38 34.59 2kwp s VAL 127 CO 0.05 -0.93 1.79 1.55 0.00 0.00 0.00 175.10 177.56 2kwp h PRO 128 N 6.60 0.00 0.00 2.72 0.13 -2.08 -3.58 132.00 135.79 2kwp h PRO 128 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2kwp h PRO 128 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2kwp h PRO 128 CO 0.48 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 176.12