#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 6.14 0.40 7.83 2.47 0.23 -4.91 114.94 127.11 2kwp s ASN 2 Ca 0.00 -0.45 0.16 0.00 0.42 0.00 0.00 52.86 52.99 2kwp s ASN 2 Cb 0.00 -2.18 0.87 0.00 -1.45 0.00 0.00 41.25 38.49 2kwp s ASN 2 CO 0.00 -0.37 1.87 0.50 -3.72 0.00 0.00 177.10 175.38 2kwp h LYS 3 N 8.54 0.00 -0.84 0.43 3.64 -1.90 -2.64 116.57 123.81 2kwp h LYS 3 Ca -0.29 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.15 2kwp h LYS 3 Cb 1.14 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 2kwp h LYS 3 CO 0.70 0.31 0.55 0.93 -2.27 0.00 0.00 179.45 179.67 2kwp h GLU 4 N 0.00 0.93 -0.19 1.90 5.08 -1.91 0.39 114.58 120.77 2kwp h GLU 4 Ca -0.00 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2kwp h GLU 4 Cb 0.60 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2kwp h GLU 4 CO 0.04 0.61 0.03 0.82 -1.00 0.00 0.00 179.01 179.52 2kwp h ILE 5 N 0.96 1.22 0.00 3.13 1.08 -1.73 -0.24 117.51 121.93 2kwp h ILE 5 Ca 0.35 -0.73 -0.10 0.00 -0.39 0.00 0.00 64.86 64.00 2kwp h ILE 5 Cb 0.17 1.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 2kwp h ILE 5 CO -0.12 0.22 -0.46 -0.07 -0.69 0.00 0.00 178.15 177.04 2kwp h LEU 6 N 0.11 0.00 -0.23 1.44 3.38 -1.41 -2.53 115.31 116.08 2kwp h LEU 6 Ca 0.06 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 2kwp h LEU 6 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2kwp h LEU 6 CO 0.00 0.46 -0.50 0.00 0.09 0.00 0.00 178.44 178.49 2kwp h ALA 7 N 1.54 0.37 -0.32 1.53 0.00 0.04 -2.28 119.26 120.13 2kwp h ALA 7 Ca -0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 2kwp h ALA 7 Cb 0.85 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2kwp h ALA 7 CO 0.06 0.55 -0.17 -0.24 0.00 0.00 0.00 179.25 179.44 2kwp h VAL 8 N 0.47 1.25 -0.25 0.00 3.04 -0.92 -2.51 116.25 117.33 2kwp h VAL 8 Ca 0.00 -1.17 -0.13 0.00 -1.01 0.00 0.00 66.70 64.39 2kwp h VAL 8 Cb 1.11 1.20 -0.01 0.00 -2.01 0.00 0.00 31.29 31.58 2kwp h VAL 8 CO 0.11 0.38 -0.38 0.58 -1.01 0.00 0.00 177.57 177.26 2kwp h VAL 9 N 0.53 1.29 -0.22 1.51 2.07 -1.39 -2.49 116.25 117.55 2kwp h VAL 9 Ca 0.09 -1.53 -0.09 0.00 0.82 0.00 0.00 66.70 65.99 2kwp h VAL 9 Cb 0.60 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2kwp h VAL 9 CO 0.04 0.48 -0.25 -0.08 0.02 0.00 0.00 177.57 177.79 2kwp h GLU 10 N 0.48 0.42 -0.12 1.57 4.81 -1.09 -0.92 114.58 119.73 2kwp h GLU 10 Ca 0.05 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 58.97 2kwp h GLU 10 Cb 0.87 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 2kwp h GLU 10 CO 0.07 0.64 -0.59 0.00 -0.73 0.00 0.00 179.01 178.41 2kwp h ALA 11 N 1.37 0.77 0.00 2.92 0.00 -1.23 -2.92 119.26 120.17 2kwp h ALA 11 Ca 0.06 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 2kwp h ALA 11 Cb 0.64 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2kwp h ALA 11 CO 0.05 0.71 -0.53 0.28 0.00 0.00 0.00 179.25 179.76 2kwp h VAL 12 N 0.29 1.00 -0.27 0.00 2.07 -1.12 -2.56 116.25 115.66 2kwp h VAL 12 Ca -0.00 -2.14 -0.13 0.00 0.82 0.00 0.00 66.70 65.24 2kwp h VAL 12 Cb 1.11 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 2kwp h VAL 12 CO 0.10 0.52 -0.38 0.77 0.02 0.00 0.00 177.57 178.60 2kwp h SER 13 N 0.00 0.66 0.17 0.57 4.64 -1.00 0.29 113.55 118.87 2kwp h SER 13 Ca -0.01 -0.29 -0.31 0.00 -0.47 0.00 0.00 61.79 60.72 2kwp h SER 13 Cb 1.27 -0.19 0.03 0.00 -0.31 0.00 0.00 62.40 63.20 2kwp h SER 13 CO 0.07 0.98 -1.30 0.78 -0.87 0.00 0.00 176.83 176.49 2kwp h ASN 14 N 0.52 0.85 -0.14 4.97 2.35 -1.50 0.46 115.58 123.09 2kwp h ASN 14 Ca 0.05 -0.86 -0.13 0.00 -0.55 0.00 0.00 56.30 54.81 2kwp h ASN 14 Cb 0.89 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.99 2kwp h ASN 14 CO 0.08 1.64 -0.41 -0.33 -1.65 0.00 0.00 177.43 176.75 2kwp h GLU 15 N 0.20 0.52 0.00 0.81 4.39 -1.43 -3.20 114.58 115.87 2kwp h GLU 15 Ca -0.21 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.10 2kwp h GLU 15 Cb 1.98 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 30.69 2kwp h GLU 15 CO 0.25 1.00 -0.51 0.87 -1.16 0.00 0.00 179.01 179.46 2kwp h LYS 16 N 0.14 0.00 -1.71 2.33 1.79 -0.53 -3.47 116.57 115.12 2kwp h LYS 16 Ca -0.01 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.18 2kwp h LYS 16 Cb 1.03 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.65 2kwp h LYS 16 CO 0.09 0.04 -0.34 0.00 -1.08 0.00 0.00 179.45 178.16 2kwp n ALA 17 N -2.15 -0.37 -2.53 3.86 0.00 0.16 -5.00 120.51 114.48 2kwp n ALA 17 Ca 0.02 0.14 -0.26 0.00 0.00 0.00 0.00 53.44 53.34 2kwp n ALA 17 Cb 0.56 -1.62 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 2kwp n ALA 17 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2kwp s LEU 18 N -3.85 2.98 0.28 0.00 0.05 -1.08 -5.01 118.68 112.05 2kwp s LEU 18 Ca 0.00 -1.16 -0.29 0.00 0.05 0.00 0.00 54.13 52.73 2kwp s LEU 18 Cb 0.00 -1.21 -0.10 0.00 -2.05 0.00 0.00 46.19 42.83 2kwp s LEU 18 CO 0.00 -0.41 1.30 -2.16 -0.55 0.00 0.00 176.35 174.53 2kwp s PRO 19 N -3.77 4.39 0.33 1.48 0.04 -1.26 -4.54 135.00 131.66 2kwp s PRO 19 Ca 0.37 2.14 0.08 0.00 0.04 0.00 0.00 61.00 63.62 2kwp s PRO 19 Cb 0.05 -3.12 0.79 0.00 0.04 0.00 0.00 34.50 32.25 2kwp s PRO 19 CO 0.20 -0.18 1.80 0.00 0.04 0.00 0.00 177.00 178.86 2kwp h ARG 20 N 4.10 0.70 -0.25 4.56 3.08 -1.95 -1.75 114.38 122.88 2kwp h ARG 20 Ca -0.47 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 59.58 2kwp h ARG 20 Cb 1.22 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 31.04 2kwp h ARG 20 CO 0.70 0.47 -0.49 1.49 -1.07 0.00 0.00 179.97 181.07 2kwp h GLU 21 N 0.72 -0.45 -0.69 0.04 4.81 -1.98 0.26 114.58 117.30 2kwp h GLU 21 Ca 0.54 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.91 2kwp h GLU 21 Cb 0.89 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.30 2kwp h GLU 21 CO -0.32 -0.30 0.29 -0.22 -0.73 0.00 0.00 179.01 177.73 2kwp h LYS 22 N -0.47 0.46 -0.17 1.92 3.64 -1.71 -1.21 116.57 119.04 2kwp h LYS 22 Ca 0.08 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2kwp h LYS 22 Cb 0.63 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2kwp h LYS 22 CO -0.49 0.30 -0.03 0.82 -2.27 0.00 0.00 179.45 177.78 2kwp h ILE 23 N 0.47 0.85 -0.81 2.00 2.04 -0.67 0.01 117.51 121.41 2kwp h ILE 23 Ca 0.36 -0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.41 2kwp h ILE 23 Cb 0.46 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 2kwp h ILE 23 CO -0.33 0.00 0.55 -0.26 0.00 0.00 0.00 178.15 178.11 2kwp h PHE 24 N 0.01 0.32 -0.32 1.37 0.04 0.60 0.14 116.94 119.11 2kwp h PHE 24 Ca 0.08 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 2kwp h PHE 24 Cb 0.11 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2kwp h PHE 24 CO -0.19 0.10 0.12 0.93 -0.60 0.00 0.00 178.31 178.68 2kwp h GLU 25 N 0.25 0.47 -0.29 1.51 4.39 -0.34 -0.11 114.58 120.48 2kwp h GLU 25 Ca 0.40 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 2kwp h GLU 25 Cb 1.19 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 2kwp h GLU 25 CO -0.10 0.48 0.13 0.00 -1.16 0.00 0.00 179.01 178.36 2kwp h ALA 26 N 0.97 0.37 -0.20 3.43 0.00 -0.40 -2.14 119.26 121.28 2kwp h ALA 26 Ca 0.11 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2kwp h ALA 26 Cb 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2kwp h ALA 26 CO -0.01 -0.05 -0.04 -0.07 0.00 0.00 0.00 179.25 179.08 2kwp h LEU 27 N 0.32 -0.17 -0.66 0.00 3.38 -1.01 -1.40 115.31 115.77 2kwp h LEU 27 Ca 0.10 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.25 2kwp h LEU 27 Cb 0.15 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 2kwp h LEU 27 CO -0.01 -0.06 0.18 -0.33 0.09 0.00 0.00 178.44 178.31 2kwp h GLU 28 N 0.01 0.30 -0.63 1.13 5.08 -0.76 0.38 114.58 120.09 2kwp h GLU 28 Ca 0.10 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2kwp h GLU 28 Cb 0.14 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2kwp h GLU 28 CO -0.20 0.20 0.42 1.03 -1.00 0.00 0.00 179.01 179.45 2kwp h SER 29 N 0.31 0.55 -0.14 1.42 0.87 -0.62 0.80 113.55 116.74 2kwp h SER 29 Ca 0.36 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.80 2kwp h SER 29 Cb 0.54 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2kwp h SER 29 CO -0.42 0.36 -0.38 0.00 -0.53 0.00 0.00 176.83 175.86 2kwp h ALA 30 N 1.66 0.23 0.10 6.23 0.00 0.42 -0.37 119.26 127.53 2kwp h ALA 30 Ca 0.27 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kwp h ALA 30 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kwp h ALA 30 CO -0.08 0.32 -0.05 -0.07 0.00 0.00 0.00 179.25 179.37 2kwp h LEU 31 N 0.12 -0.11 0.15 0.00 -0.00 -0.14 0.57 115.31 115.89 2kwp h LEU 31 Ca -0.01 -0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.74 2kwp h LEU 31 Cb 1.00 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 2kwp h LEU 31 CO 0.08 0.06 -0.07 0.00 -0.00 0.00 0.00 178.44 178.51 2kwp h ALA 32 N 0.61 -0.20 -0.68 1.53 0.00 -0.93 1.19 119.26 120.78 2kwp h ALA 32 Ca -0.01 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.92 2kwp h ALA 32 Cb 0.23 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 2kwp h ALA 32 CO 0.02 -0.58 0.30 1.15 0.00 0.00 0.00 179.25 180.15 2kwp h THR 33 N -0.26 0.80 -0.11 0.00 2.02 -1.00 -0.53 112.91 113.83 2kwp h THR 33 Ca -0.02 -0.18 -0.23 0.00 0.77 0.00 0.00 66.41 66.75 2kwp h THR 33 Cb 0.21 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2kwp h THR 33 CO 0.03 0.09 -0.85 0.00 0.37 0.00 0.00 175.52 175.17 2kwp h ALA 34 N 1.44 0.30 -0.52 6.16 0.00 -0.54 -3.17 119.26 122.92 2kwp h ALA 34 Ca 0.34 -0.63 0.07 0.00 0.00 0.00 0.00 54.91 54.70 2kwp h ALA 34 Cb 0.40 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2kwp h ALA 34 CO -0.30 0.70 0.19 1.15 0.00 0.00 0.00 179.25 180.99 2kwp h THR 35 N 0.47 0.81 0.00 0.00 2.02 0.24 0.18 112.91 116.64 2kwp h THR 35 Ca -0.07 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2kwp h THR 35 Cb 1.48 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2kwp h THR 35 CO 0.17 0.07 -0.04 0.11 0.37 0.00 0.00 175.52 176.20 2kwp h LYS 36 N 0.36 0.00 -0.92 6.66 1.57 -1.15 -1.97 116.57 121.12 2kwp h LYS 36 Ca 0.26 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.08 2kwp h LYS 36 Cb 0.28 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 2kwp h LYS 36 CO -0.26 0.04 0.60 0.87 -0.57 0.00 0.00 179.45 180.12 2kwp h LYS 37 N 0.00 1.11 -0.90 3.15 1.57 -0.60 0.39 116.57 121.28 2kwp h LYS 37 Ca -0.00 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2kwp h LYS 37 Cb 0.10 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 2kwp h LYS 37 CO 0.00 0.73 0.49 0.87 -0.57 0.00 0.00 179.45 180.98 2kwp h LYS 38 N 1.14 1.26 -0.09 3.15 1.57 -1.35 -2.72 116.57 119.54 2kwp h LYS 38 Ca 0.37 -0.15 -0.21 0.00 -1.87 0.00 0.00 60.65 58.79 2kwp h LYS 38 Cb 0.04 -0.25 0.01 0.00 0.08 0.00 0.00 32.23 32.12 2kwp h LYS 38 CO -0.13 0.93 -0.76 1.88 -0.57 0.00 0.00 179.45 180.79 2kwp h TYR 39 N 1.27 0.95 -0.44 -1.35 0.05 -1.32 -3.46 116.97 112.66 2kwp h TYR 39 Ca 0.32 -0.45 -0.19 0.00 0.05 0.00 0.00 58.73 58.46 2kwp h TYR 39 Cb 0.04 -0.13 -0.07 0.00 1.01 0.00 0.00 36.73 37.57 2kwp h TYR 39 CO 0.01 1.27 -0.17 -1.91 -1.05 0.00 0.00 178.16 176.31 2kwp n GLU 40 N -4.01 -1.51 -0.45 4.88 2.13 0.13 -4.79 120.64 117.01 2kwp n GLU 40 Ca -0.09 0.79 0.08 0.00 0.66 0.00 0.00 57.16 58.61 2kwp n GLU 40 Cb 0.74 -5.08 0.28 0.00 0.27 0.00 0.00 31.44 27.65 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 -1.00 3.30 -3.76 5.31 6.02 -1.26 -4.95 117.38 121.03 2kwp n GLN 41 Ca -0.09 -2.65 -0.22 0.00 -0.01 0.00 0.00 57.00 54.02 2kwp n GLN 41 Cb 0.52 -1.70 0.02 0.00 1.02 0.00 0.00 30.24 30.10 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 0.70 -4.40 -3.17 -1.09 1.02 -1.26 -4.68 120.64 107.75 2kwp n GLU 42 Ca 0.21 0.56 -0.24 0.00 -0.02 0.00 0.00 57.16 57.68 2kwp n GLU 42 Cb 0.75 -4.99 -0.00 0.00 -0.02 0.00 0.00 31.44 27.18 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 -3.74 4.65 -0.40 -3.67 -4.36 -1.26 -4.22 121.20 108.20 2kwp s ILE 43 Ca 0.01 -0.44 -0.21 0.00 -0.26 0.00 0.00 60.65 59.75 2kwp s ILE 43 Cb -0.00 -3.71 0.01 0.00 1.25 0.00 0.00 42.46 40.01 2kwp s ILE 43 CO 0.83 -0.49 0.67 -0.62 0.24 0.00 0.00 174.94 175.57 2kwp s ASP 44 N -4.11 6.39 -0.02 4.36 -1.08 -1.11 -4.90 116.67 116.20 2kwp s ASP 44 Ca 0.44 -0.05 0.06 0.00 -0.52 0.00 0.00 52.55 52.48 2kwp s ASP 44 Cb -0.10 -2.34 -0.01 0.00 -1.46 0.00 0.00 42.92 39.01 2kwp s ASP 44 CO 0.37 -0.72 -0.21 -0.69 0.52 0.00 0.00 175.17 174.45 2kwp s VAL 45 N 2.86 1.68 -0.08 1.11 1.01 -1.26 -1.99 120.40 123.73 2kwp s VAL 45 Ca 0.25 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.36 2kwp s VAL 45 Cb -0.14 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2kwp s VAL 45 CO 0.18 0.48 -0.19 -0.60 0.00 0.00 0.00 175.10 174.96 2kwp s ARG 46 N -0.44 2.43 -0.12 2.72 3.52 0.49 -4.74 118.95 122.80 2kwp s ARG 46 Ca 0.06 -0.69 -0.01 0.00 -0.13 0.00 0.00 55.73 54.96 2kwp s ARG 46 Cb -0.09 -1.91 -0.02 0.00 -1.56 0.00 0.00 34.95 31.37 2kwp s ARG 46 CO -0.00 0.14 -0.08 0.08 -0.81 0.00 0.00 175.30 174.63 2kwp s VAL 47 N 0.39 3.55 -0.06 7.11 1.01 -1.26 -0.01 120.40 131.13 2kwp s VAL 47 Ca -0.15 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2kwp s VAL 47 Cb -0.16 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 2kwp s VAL 47 CO 0.06 0.53 -0.15 -1.10 0.00 0.00 0.00 175.10 174.45 2kwp s GLN 48 N 0.03 2.64 0.01 2.72 -0.21 -0.81 -4.68 119.66 119.37 2kwp s GLN 48 Ca -0.02 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 54.68 2kwp s GLN 48 Cb -0.14 -2.41 -0.04 0.00 1.00 0.00 0.00 33.01 31.43 2kwp s GLN 48 CO 0.03 0.55 -0.00 0.42 -2.12 0.00 0.00 175.29 174.17 2kwp s ILE 49 N -0.54 4.11 -0.29 1.08 1.01 -1.26 -0.53 121.20 124.78 2kwp s ILE 49 Ca 0.07 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 60.01 2kwp s ILE 49 Cb -0.12 -2.85 0.02 0.00 0.01 0.00 0.00 42.46 39.52 2kwp s ILE 49 CO 0.01 0.34 0.04 -1.81 0.00 0.00 0.00 174.94 173.52 2kwp s ASP 50 N -1.66 4.92 0.08 3.58 1.01 0.54 -4.90 116.67 120.23 2kwp s ASP 50 Ca 0.20 -0.83 -0.20 0.00 0.71 0.00 0.00 52.55 52.43 2kwp s ASP 50 Cb -0.12 -1.81 -0.10 0.00 1.01 0.00 0.00 42.92 41.91 2kwp s ASP 50 CO 0.11 -0.19 1.53 0.03 0.21 0.00 0.00 175.17 176.86 2kwp h ARG 51 N 8.16 0.35 0.34 8.23 3.08 -1.95 2.09 114.38 134.67 2kwp h ARG 51 Ca -0.30 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 2kwp h ARG 51 Cb 1.11 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 2kwp h ARG 51 CO 0.59 0.52 -0.41 0.87 -1.07 0.00 0.00 179.97 180.47 2kwp h LYS 52 N 0.13 -0.74 -0.47 0.04 6.56 -1.96 -2.80 116.57 117.33 2kwp h LYS 52 Ca 0.06 0.05 -0.11 0.00 -1.06 0.00 0.00 60.65 59.59 2kwp h LYS 52 Cb 0.35 0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 32.16 2kwp h LYS 52 CO 0.01 -0.49 -0.13 0.77 -2.06 0.00 0.00 179.45 177.54 2kwp h SER 53 N -0.77 0.92 -0.30 0.86 0.02 -1.98 -3.47 113.55 108.83 2kwp h SER 53 Ca -0.04 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2kwp h SER 53 Cb 0.68 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2kwp h SER 53 CO -0.09 1.08 0.00 0.61 -1.14 0.00 0.00 176.83 177.30 2kwp n GLY 54 N -0.19 1.07 3.30 -3.77 0.00 0.70 -4.19 105.19 102.11 2kwp n GLY 54 Ca -0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.45 -0.18 0.04 1.61 1.47 -0.83 0.76 116.67 117.09 2kwp s ASP 55 Ca 0.00 -0.31 0.06 0.00 1.18 0.00 0.00 52.55 53.49 2kwp s ASP 55 Cb 0.00 0.44 -0.02 0.00 -0.34 0.00 0.00 42.92 42.99 2kwp s ASP 55 CO 0.00 -0.79 -0.18 0.72 0.68 0.00 0.00 175.17 175.60 2kwp s PHE 56 N -3.52 1.59 0.11 2.11 -0.12 -1.26 0.20 117.98 117.10 2kwp s PHE 56 Ca 0.01 -0.36 0.06 0.00 -0.05 0.00 0.00 56.93 56.59 2kwp s PHE 56 Cb 0.02 -0.95 -0.04 0.00 -0.63 0.00 0.00 43.02 41.42 2kwp s PHE 56 CO -0.10 0.07 -0.01 -0.51 -0.05 0.00 0.00 175.22 174.62 2kwp s ASP 57 N -1.16 4.87 -0.10 1.98 1.01 0.31 -4.89 116.67 118.68 2kwp s ASP 57 Ca 0.05 -0.26 -0.18 0.00 0.71 0.00 0.00 52.55 52.88 2kwp s ASP 57 Cb -0.08 -1.10 -0.04 0.00 1.01 0.00 0.00 42.92 42.70 2kwp s ASP 57 CO 0.02 0.15 0.48 -0.89 0.21 0.00 0.00 175.17 175.14 2kwp s THR 58 N -1.39 5.16 0.06 -1.27 2.01 -1.26 -1.93 115.64 117.02 2kwp s THR 58 Ca 0.25 0.96 0.05 0.00 0.31 0.00 0.00 61.69 63.26 2kwp s THR 58 Cb -0.11 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 2kwp s THR 58 CO 0.18 0.35 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.95 2kwp s PHE 59 N 0.45 1.24 0.09 4.92 0.08 0.99 -1.90 117.98 123.85 2kwp s PHE 59 Ca 0.26 -0.41 0.10 0.00 0.12 0.00 0.00 56.93 57.00 2kwp s PHE 59 Cb -0.15 -0.71 -0.04 0.00 -0.57 0.00 0.00 43.02 41.55 2kwp s PHE 59 CO 0.11 0.05 -0.25 0.50 -0.10 0.00 0.00 175.22 175.53 2kwp s ARG 60 N -1.46 1.64 0.07 0.44 3.52 0.13 0.18 118.95 123.47 2kwp s ARG 60 Ca -0.00 -1.22 0.00 0.00 -0.13 0.00 0.00 55.73 54.38 2kwp s ARG 60 Cb -0.09 -1.98 -0.04 0.00 -1.56 0.00 0.00 34.95 31.28 2kwp s ARG 60 CO 0.02 0.48 -0.05 -0.98 -0.81 0.00 0.00 175.30 173.96 2kwp s ARG 61 N -1.74 0.70 0.04 5.12 1.70 -0.84 -0.03 118.95 123.89 2kwp s ARG 61 Ca 0.14 -1.24 -0.05 0.00 -0.47 0.00 0.00 55.73 54.11 2kwp s ARG 61 Cb -0.10 -0.00 -0.01 0.00 -0.57 0.00 0.00 34.95 34.26 2kwp s ARG 61 CO 0.05 -0.06 0.07 -1.58 -1.08 0.00 0.00 175.30 172.71 2kwp s TRP 62 N -3.61 0.24 -0.05 5.89 0.51 -0.19 -4.44 118.94 117.28 2kwp s TRP 62 Ca 0.08 -0.58 -0.06 0.00 -2.12 0.00 0.00 56.10 53.42 2kwp s TRP 62 Cb 0.06 -0.17 -0.04 0.00 -0.81 0.00 0.00 33.47 32.50 2kwp s TRP 62 CO -0.07 -0.36 0.20 -1.17 -0.51 0.00 0.00 176.95 175.03 2kwp s LEU 63 N -2.21 4.39 -0.03 2.99 2.96 -1.22 0.16 118.68 125.72 2kwp s LEU 63 Ca -0.04 0.49 -0.30 0.00 -0.22 0.00 0.00 54.13 54.06 2kwp s LEU 63 Cb -0.00 -2.38 -0.05 0.00 0.50 0.00 0.00 46.19 44.25 2kwp s LEU 63 CO -0.05 0.33 1.51 -0.69 -1.32 0.00 0.00 176.35 176.12 2kwp s VAL 64 N -1.17 3.63 -0.05 1.68 1.01 0.25 0.85 120.40 126.59 2kwp s VAL 64 Ca 0.22 0.93 0.03 0.00 0.00 0.00 0.00 61.98 63.15 2kwp s VAL 64 Cb -0.13 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.66 2kwp s VAL 64 CO 0.11 -0.04 -0.13 0.68 0.00 0.00 0.00 175.10 175.72 2kwp s VAL 65 N 3.10 1.17 0.30 2.92 -7.23 0.24 -1.96 120.40 118.94 2kwp s VAL 65 Ca 0.67 -0.53 0.12 0.00 -1.81 0.00 0.00 61.98 60.43 2kwp s VAL 65 Cb -0.32 -1.05 0.03 0.00 0.56 0.00 0.00 36.38 35.60 2kwp s VAL 65 CO 0.27 0.36 1.71 -0.78 -0.31 0.00 0.00 175.10 176.34 2kwp h ASP 66 N 6.68 0.00 -1.53 4.85 3.58 -1.94 -1.90 116.42 126.16 2kwp h ASP 66 Ca -0.31 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 56.69 2kwp h ASP 66 Cb 1.18 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.83 2kwp h ASP 66 CO 0.48 0.50 -1.10 1.21 -2.88 0.00 0.00 179.24 177.45 2kwp n GLU 67 N -3.89 1.49 -0.84 0.28 2.13 -1.26 -4.78 120.64 113.77 2kwp n GLU 67 Ca -0.01 -3.56 -0.35 0.00 0.66 0.00 0.00 57.16 53.89 2kwp n GLU 67 Cb 0.53 -1.60 -0.06 0.00 0.27 0.00 0.00 31.44 30.57 2kwp n GLU 67 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2kwp n VAL 68 N 0.01 0.00 0.08 6.31 3.14 -1.24 -4.78 118.33 121.84 2kwp n VAL 68 Ca 0.20 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.64 2kwp n VAL 68 Cb 0.71 -0.27 -0.03 0.00 -1.06 0.00 0.00 33.84 33.18 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 3.21 0.25 -2.70 1.55 1.35 -1.95 -3.43 112.91 111.20 2kwp h THR 69 Ca -0.16 -1.49 -0.51 0.00 -0.55 0.00 0.00 66.41 63.70 2kwp h THR 69 Cb 0.76 1.79 -0.39 0.00 -1.73 0.00 0.00 68.15 68.58 2kwp h THR 69 CO 0.56 0.14 -0.77 -1.10 -0.25 0.00 0.00 175.52 174.11 2kwp s GLN 70 N -3.15 0.24 0.00 4.72 -1.52 -1.26 -4.99 119.66 113.71 2kwp s GLN 70 Ca -0.01 -0.57 0.10 0.00 -1.95 0.00 0.00 55.36 52.93 2kwp s GLN 70 Cb 0.09 -1.12 0.53 0.00 -0.22 0.00 0.00 33.01 32.29 2kwp s GLN 70 CO 0.79 -1.04 1.14 -0.35 -0.25 0.00 0.00 175.29 175.59 2kwp n PRO 71 N 5.13 0.20 0.09 2.91 -0.04 -1.25 -0.39 135.00 141.66 2kwp n PRO 71 Ca -0.04 0.13 -0.14 0.00 -0.04 0.00 0.00 63.50 63.41 2kwp n PRO 71 Cb 0.42 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 2kwp n PRO 71 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2kwp h THR 72 N 0.00 1.56 0.00 0.52 1.35 -1.86 -3.36 112.91 111.11 2kwp h THR 72 Ca 0.00 -3.15 0.00 0.00 -0.55 0.00 0.00 66.41 62.71 2kwp h THR 72 Cb 0.06 2.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 2kwp h THR 72 CO 0.00 0.91 0.00 0.29 -0.25 0.00 0.00 175.52 176.47 2kwp n LYS 73 N -3.49 1.11 -4.12 4.72 5.02 -0.99 -2.74 118.16 117.67 2kwp n LYS 73 Ca -0.06 -0.88 -0.16 0.00 -2.02 0.00 0.00 58.31 55.19 2kwp n LYS 73 Cb 1.00 -0.81 -0.15 0.00 -0.02 0.00 0.00 35.03 35.05 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 -0.43 0.42 -0.10 1.97 2.02 0.48 -3.39 118.70 119.66 2kwp s GLU 74 Ca 0.00 -0.14 0.02 0.00 0.02 0.00 0.00 54.97 54.87 2kwp s GLU 74 Cb 0.00 -0.43 -0.01 0.00 0.10 0.00 0.00 34.13 33.79 2kwp s GLU 74 CO 0.00 0.07 -0.16 -1.50 0.02 0.00 0.00 175.26 173.69 2kwp s ILE 75 N 0.08 2.82 0.82 -1.63 2.07 0.25 -3.93 121.20 121.68 2kwp s ILE 75 Ca -0.01 -0.76 -0.12 0.00 -1.41 0.00 0.00 60.65 58.35 2kwp s ILE 75 Cb -0.04 -2.14 0.09 0.00 0.13 0.00 0.00 42.46 40.50 2kwp s ILE 75 CO -0.00 0.55 1.14 0.42 -1.91 0.00 0.00 174.94 175.14 2kwp s THR 76 N 0.06 2.54 0.11 4.00 -4.23 -1.26 0.80 115.64 117.66 2kwp s THR 76 Ca -0.06 0.20 -0.26 0.00 -1.18 0.00 0.00 61.69 60.39 2kwp s THR 76 Cb -0.15 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 71.10 2kwp s THR 76 CO 0.05 -0.21 1.66 0.25 -0.54 0.00 0.00 174.62 175.83 2kwp h LEU 77 N -1.20 -0.55 -0.57 4.79 6.46 -1.64 -0.65 115.31 121.95 2kwp h LEU 77 Ca -0.44 0.07 0.11 0.00 -0.12 0.00 0.00 57.88 57.49 2kwp h LEU 77 Cb 1.26 0.21 -0.11 0.00 -0.73 0.00 0.00 40.66 41.29 2kwp h LEU 77 CO 0.47 -0.28 -0.18 -0.08 -0.62 0.00 0.00 178.44 177.75 2kwp h GLU 78 N -0.37 -0.04 -0.57 1.25 4.81 -1.91 0.72 114.58 118.47 2kwp h GLU 78 Ca 0.03 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2kwp h GLU 78 Cb 0.40 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 2kwp h GLU 78 CO -0.11 -0.02 0.38 0.00 -0.73 0.00 0.00 179.01 178.52 2kwp h ALA 79 N 1.47 1.79 -0.36 2.92 0.00 -1.76 -0.11 119.26 123.20 2kwp h ALA 79 Ca 0.27 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2kwp h ALA 79 Cb 0.45 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2kwp h ALA 79 CO -0.60 0.13 -0.15 0.00 0.00 0.00 0.00 179.25 178.62 2kwp h ALA 80 N 1.68 1.05 -0.29 0.00 0.00 0.19 -2.14 119.26 119.76 2kwp h ALA 80 Ca 0.24 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2kwp h ALA 80 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2kwp h ALA 80 CO -0.07 0.57 -0.26 0.00 0.00 0.00 0.00 179.25 179.50 2kwp h ARG 81 N 0.60 0.58 -0.43 0.00 3.08 0.87 0.95 114.38 120.03 2kwp h ARG 81 Ca 0.10 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 2kwp h ARG 81 Cb 0.60 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 2kwp h ARG 81 CO 0.04 0.79 -0.12 1.88 -1.07 0.00 0.00 179.97 181.49 2kwp h TYR 82 N 0.51 0.85 0.00 3.04 0.05 -0.92 -2.92 116.97 117.58 2kwp h TYR 82 Ca 0.07 -0.16 -0.24 0.00 0.05 0.00 0.00 58.73 58.45 2kwp h TYR 82 Cb 0.72 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.20 2kwp h TYR 82 CO 0.03 0.85 -1.35 0.93 -1.05 0.00 0.00 178.16 177.57 2kwp h GLU 83 N 0.70 0.00 -0.02 4.88 4.39 -1.05 -3.46 114.58 120.01 2kwp h GLU 83 Ca 0.12 0.00 0.29 0.00 0.34 0.00 0.00 59.36 60.11 2kwp h GLU 83 Cb 0.60 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.06 2kwp h GLU 83 CO 0.04 0.68 0.21 0.34 -1.16 0.00 0.00 179.01 179.12 2kwp s ASP 84 N -6.33 -0.03 0.65 1.42 2.15 0.32 -4.99 116.67 109.86 2kwp s ASP 84 Ca -0.02 0.01 0.34 0.00 0.43 0.00 0.00 52.55 53.31 2kwp s ASP 84 Cb 0.09 1.02 1.84 0.00 -0.30 0.00 0.00 42.92 45.57 2kwp s ASP 84 CO 0.82 -0.01 2.06 -0.33 -0.17 0.00 0.00 175.17 177.55 2kwp h GLU 85 N 7.53 0.00 0.00 4.34 5.08 -1.61 0.21 114.58 130.14 2kwp h GLU 85 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2kwp h GLU 85 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kwp h GLU 85 CO -0.22 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.22 2kwp n SER 86 N -3.13 0.52 -4.78 1.42 7.64 -1.26 -4.64 113.62 109.39 2kwp n SER 86 Ca -0.01 0.70 -0.37 0.00 1.01 0.00 0.00 58.87 60.20 2kwp n SER 86 Cb 0.31 -0.78 -0.06 0.00 -1.01 0.00 0.00 64.21 62.67 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 -4.31 4.29 0.30 -3.43 1.43 0.74 -5.06 118.68 112.64 2kwp s LEU 87 Ca 0.00 1.93 0.02 0.00 -1.03 0.00 0.00 54.13 55.05 2kwp s LEU 87 Cb 0.07 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 2kwp s LEU 87 CO 0.24 -0.20 0.11 0.20 0.23 0.00 0.00 176.35 176.93 2kwp s ASN 88 N -1.56 1.64 0.03 2.29 0.01 -1.26 -4.80 114.94 111.29 2kwp s ASN 88 Ca 0.52 -1.47 -0.32 0.00 -0.71 0.00 0.00 52.86 50.88 2kwp s ASN 88 Cb -0.20 0.24 -0.11 0.00 0.41 0.00 0.00 41.25 41.59 2kwp s ASN 88 CO 0.26 -0.79 1.89 -0.11 -1.51 0.00 0.00 177.10 176.84 2kwp n LEU 89 N -0.58 3.85 0.00 0.60 -0.00 -1.26 -0.55 117.00 119.06 2kwp n LEU 89 Ca -0.01 0.96 0.00 0.00 -0.00 0.00 0.00 56.01 56.96 2kwp n LEU 89 Cb 0.66 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.60 2kwp n LEU 89 CO 0.37 0.09 0.00 0.61 -0.00 0.00 0.00 177.39 178.46 2kwp n GLY 90 N 4.36 0.59 3.97 -3.96 0.00 -0.83 -4.98 105.19 104.33 2kwp n GLY 90 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 2kwp n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kwp s ASP 91 N -2.98 5.21 0.08 1.61 1.01 0.29 -4.76 116.67 117.13 2kwp s ASP 91 Ca 0.00 0.05 0.08 0.00 0.71 0.00 0.00 52.55 53.38 2kwp s ASP 91 Cb 0.00 -0.90 -0.04 0.00 1.01 0.00 0.00 42.92 43.00 2kwp s ASP 91 CO 0.00 -1.21 -0.17 -0.31 0.21 0.00 0.00 175.17 173.69 2kwp s TYR 92 N -2.83 2.58 0.09 4.23 2.02 -1.26 0.86 117.35 123.04 2kwp s TYR 92 Ca 0.58 -0.24 0.08 0.00 -0.37 0.00 0.00 57.07 57.12 2kwp s TYR 92 Cb -0.10 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 2kwp s TYR 92 CO 0.39 0.34 -0.20 0.54 -1.57 0.00 0.00 175.55 175.06 2kwp s VAL 93 N -1.07 2.71 0.08 0.71 0.11 0.42 -4.91 120.40 118.46 2kwp s VAL 93 Ca 0.17 -1.41 0.08 0.00 -2.93 0.00 0.00 61.98 57.89 2kwp s VAL 93 Cb -0.11 -2.19 -0.03 0.00 -1.53 0.00 0.00 36.38 32.52 2kwp s VAL 93 CO 0.09 0.20 -0.21 -0.70 -3.33 0.00 0.00 175.10 171.15 2kwp s GLU 94 N -1.81 1.24 -0.07 1.54 2.12 -1.26 -1.02 118.70 119.44 2kwp s GLU 94 Ca 0.16 -1.06 -0.27 0.00 0.36 0.00 0.00 54.97 54.16 2kwp s GLU 94 Cb -0.10 -1.44 0.06 0.00 0.26 0.00 0.00 34.13 32.91 2kwp s GLU 94 CO 0.07 0.35 0.60 0.34 -0.54 0.00 0.00 175.26 176.08 2kwp s ASP 95 N -1.58 -0.57 0.03 -1.70 2.15 0.95 -4.96 116.67 110.99 2kwp s ASP 95 Ca 0.07 0.67 -0.27 0.00 0.43 0.00 0.00 52.55 53.45 2kwp s ASP 95 Cb -0.09 0.59 -0.05 0.00 -0.30 0.00 0.00 42.92 43.07 2kwp s ASP 95 CO 0.03 -0.53 0.84 -1.58 -0.17 0.00 0.00 175.17 173.76 2kwp s GLN 96 N -1.02 4.54 0.31 4.34 0.74 -1.26 0.21 119.66 127.52 2kwp s GLN 96 Ca -0.10 1.19 0.07 0.00 0.05 0.00 0.00 55.36 56.57 2kwp s GLN 96 Cb -0.02 -3.40 -0.06 0.00 1.10 0.00 0.00 33.01 30.63 2kwp s GLN 96 CO 0.08 0.16 -0.05 0.96 -0.55 0.00 0.00 175.29 175.89 2kwp s ILE 97 N 0.32 1.76 0.60 -2.34 -4.36 -0.80 -4.82 121.20 111.56 2kwp s ILE 97 Ca 0.43 -2.11 -0.19 0.00 -0.26 0.00 0.00 60.65 58.51 2kwp s ILE 97 Cb -0.21 -2.60 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 2kwp s ILE 97 CO 0.25 -0.21 1.15 -0.62 0.24 0.00 0.00 174.94 175.75 2kwp n GLU 98 N -0.69 1.15 -4.41 0.37 1.02 -1.26 -4.41 120.64 112.42 2kwp n GLU 98 Ca -0.05 0.44 -0.24 0.00 -0.02 0.00 0.00 57.16 57.29 2kwp n GLU 98 Cb 0.64 -2.36 -0.09 0.00 -0.02 0.00 0.00 31.44 29.62 2kwp n GLU 98 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kwp s SER 99 N -1.19 3.96 -0.11 1.62 1.04 -1.26 -4.74 113.70 113.02 2kwp s SER 99 Ca 0.76 -0.93 -0.08 0.00 0.48 0.00 0.00 55.95 56.18 2kwp s SER 99 Cb -0.41 -0.49 -0.04 0.00 0.10 0.00 0.00 66.02 65.17 2kwp s SER 99 CO 0.46 -0.03 0.17 0.54 0.98 0.00 0.00 173.24 175.35 2kwp s VAL 100 N -2.47 5.46 0.23 5.02 0.11 -1.26 -5.04 120.40 122.45 2kwp s VAL 100 Ca 0.31 0.27 -0.27 0.00 -2.93 0.00 0.00 61.98 59.36 2kwp s VAL 100 Cb -0.04 -3.44 -0.09 0.00 -1.53 0.00 0.00 36.38 31.28 2kwp s VAL 100 CO 0.17 0.60 0.88 -0.89 -3.33 0.00 0.00 175.10 172.53 2kwp s THR 101 N -0.92 4.21 0.25 5.04 2.01 -1.26 -4.94 115.64 120.03 2kwp s THR 101 Ca 0.15 1.89 -0.04 0.00 0.31 0.00 0.00 61.69 64.01 2kwp s THR 101 Cb -0.12 -4.20 0.23 0.00 0.01 0.00 0.00 72.50 68.42 2kwp s THR 101 CO 0.04 0.43 1.71 0.15 -0.69 0.00 0.00 174.62 176.27 2kwp h PHE 102 N 3.99 0.45 0.00 4.92 3.04 -2.02 -3.43 116.94 123.89 2kwp h PHE 102 Ca -0.46 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.53 2kwp h PHE 102 Cb 1.20 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.63 2kwp h PHE 102 CO 0.62 0.01 0.00 -0.25 -2.02 0.00 0.00 178.31 176.67 2kwp n ASP 103 N -5.05 0.00 -4.75 0.41 8.00 -1.26 -4.72 116.55 109.17 2kwp n ASP 103 Ca 0.15 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.28 2kwp n ASP 103 Cb 0.45 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.58 2kwp n ASP 103 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2kwp s ARG 104 N 0.00 3.09 -0.08 -1.24 0.52 -1.26 -5.01 118.95 114.97 2kwp s ARG 104 Ca 0.00 1.96 -0.00 0.00 -0.52 0.00 0.00 55.73 57.16 2kwp s ARG 104 Cb 0.00 -2.08 -0.03 0.00 0.52 0.00 0.00 34.95 33.36 2kwp s ARG 104 CO 0.00 -1.15 -0.05 0.42 0.02 0.00 0.00 175.30 174.54 2kwp s ILE 105 N -1.48 3.84 -1.45 1.52 -1.09 -1.26 -4.58 121.20 116.69 2kwp s ILE 105 Ca 0.74 -0.42 -0.02 0.00 -2.23 0.00 0.00 60.65 58.73 2kwp s ILE 105 Cb -0.34 -2.59 0.01 0.00 -1.58 0.00 0.00 42.46 37.97 2kwp s ILE 105 CO 0.38 0.59 0.38 0.41 -1.23 0.00 0.00 174.94 175.47 2kwp n THR 106 N 2.33 -2.57 -2.45 2.92 -1.04 -1.26 -4.87 114.28 107.35 2kwp n THR 106 Ca -0.18 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.05 60.96 2kwp n THR 106 Cb 0.53 -2.32 -0.04 0.00 -1.82 0.00 0.00 70.33 66.69 2kwp n THR 106 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2kwp s THR 107 N -3.97 3.72 0.43 12.58 2.01 -1.26 -4.91 115.64 124.23 2kwp s THR 107 Ca 0.06 1.47 0.10 0.00 0.31 0.00 0.00 61.69 63.64 2kwp s THR 107 Cb -0.04 -3.94 0.22 0.00 0.01 0.00 0.00 72.50 68.76 2kwp s THR 107 CO 0.91 0.25 2.03 1.56 -0.69 0.00 0.00 174.62 178.67 2kwp h GLN 108 N 5.12 0.27 -0.61 4.92 4.20 -2.00 -2.27 115.11 124.74 2kwp h GLN 108 Ca -0.44 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.30 2kwp h GLN 108 Cb 1.21 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.88 2kwp h GLN 108 CO 0.73 0.27 0.30 1.15 -0.67 0.00 0.00 178.83 180.61 2kwp h THR 109 N 0.27 0.90 -0.38 -0.54 2.02 -2.00 0.11 112.91 113.30 2kwp h THR 109 Ca 0.07 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 2kwp h THR 109 Cb 0.13 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 2kwp h THR 109 CO -0.00 0.10 -0.14 0.00 0.37 0.00 0.00 175.52 175.85 2kwp h ALA 110 N 1.35 1.05 -0.44 6.16 0.00 -1.81 -2.66 119.26 122.92 2kwp h ALA 110 Ca 0.29 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2kwp h ALA 110 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2kwp h ALA 110 CO -0.22 0.58 -0.04 -0.22 0.00 0.00 0.00 179.25 179.35 2kwp h LYS 111 N 0.61 0.73 -0.72 0.00 3.64 -0.99 -2.51 116.57 117.34 2kwp h LYS 111 Ca 0.10 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2kwp h LYS 111 Cb 0.59 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 2kwp h LYS 111 CO 0.04 0.78 0.42 1.96 -2.27 0.00 0.00 179.45 180.38 2kwp h GLN 112 N 0.68 0.98 -0.50 1.90 1.08 -0.68 -1.87 115.11 116.70 2kwp h GLN 112 Ca 0.13 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 2kwp h GLN 112 Cb 0.48 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 2kwp h GLN 112 CO 0.02 0.70 0.19 0.28 -0.95 0.00 0.00 178.83 179.07 2kwp h VAL 113 N 0.99 1.22 -0.86 -0.54 2.07 -1.33 -1.43 116.25 116.37 2kwp h VAL 113 Ca 0.26 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 2kwp h VAL 113 Cb -0.02 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2kwp h VAL 113 CO -0.05 0.26 0.43 0.40 0.02 0.00 0.00 177.57 178.63 2kwp h ILE 114 N 0.67 1.26 -0.37 4.57 2.04 -1.25 -1.12 117.51 123.30 2kwp h ILE 114 Ca 0.17 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 2kwp h ILE 114 Cb 0.22 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 2kwp h ILE 114 CO -0.01 0.30 0.13 0.58 0.00 0.00 0.00 178.15 179.15 2kwp h VAL 115 N 1.21 1.21 -0.68 1.67 2.07 -0.99 -0.72 116.25 120.02 2kwp h VAL 115 Ca 0.30 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2kwp h VAL 115 Cb 0.09 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2kwp h VAL 115 CO -0.04 0.23 0.36 1.56 0.02 0.00 0.00 177.57 179.70 2kwp h GLN 116 N 0.45 0.97 -0.35 1.57 4.20 -0.91 -0.37 115.11 120.66 2kwp h GLN 116 Ca 0.12 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2kwp h GLN 116 Cb 0.23 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2kwp h GLN 116 CO -0.01 0.74 0.14 -0.22 -0.67 0.00 0.00 178.83 178.82 2kwp h LYS 117 N 0.94 0.53 -0.74 1.46 1.63 -0.95 -1.79 116.57 117.66 2kwp h LYS 117 Ca 0.24 -0.10 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 2kwp h LYS 117 Cb 0.07 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 2kwp h LYS 117 CO -0.03 0.53 0.37 0.28 -3.45 0.00 0.00 179.45 177.14 2kwp h VAL 118 N 0.43 1.24 -0.44 2.00 2.07 -0.81 -2.03 116.25 118.70 2kwp h VAL 118 Ca 0.12 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2kwp h VAL 118 Cb 0.20 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2kwp h VAL 118 CO -0.01 0.28 0.21 0.03 0.02 0.00 0.00 177.57 178.10 2kwp h ARG 119 N 1.04 0.61 -0.57 1.57 3.08 -0.78 -1.45 114.38 117.88 2kwp h ARG 119 Ca 0.26 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.33 2kwp h ARG 119 Cb 0.10 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2kwp h ARG 119 CO -0.03 0.48 0.38 1.49 -1.07 0.00 0.00 179.97 181.22 2kwp h GLU 120 N 0.62 0.37 -0.46 0.04 4.81 -0.56 0.40 114.58 119.80 2kwp h GLU 120 Ca 0.16 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2kwp h GLU 120 Cb 0.07 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2kwp h GLU 120 CO -0.02 0.24 0.28 0.00 -0.73 0.00 0.00 179.01 178.78 2kwp h ALA 121 N 1.71 1.63 -0.29 2.92 0.00 -1.24 -1.13 119.26 122.85 2kwp h ALA 121 Ca 0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2kwp h ALA 121 Cb 0.53 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2kwp h ALA 121 CO -0.07 0.33 0.10 0.93 0.00 0.00 0.00 179.25 180.54 2kwp h GLU 122 N 0.63 0.41 -0.58 0.00 5.08 -0.99 -1.50 114.58 117.63 2kwp h GLU 122 Ca 0.17 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.57 2kwp h GLU 122 Cb -0.03 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2kwp h GLU 122 CO -0.03 0.36 0.39 0.00 -1.00 0.00 0.00 179.01 178.73 2kwp h ARG 123 N 0.41 0.37 -5.94 2.33 3.08 -1.21 -3.40 114.38 110.02 2kwp h ARG 123 Ca 0.10 -0.02 -0.63 0.00 0.07 0.00 0.00 59.98 59.50 2kwp h ARG 123 Cb 0.11 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 2kwp h ARG 123 CO -0.01 0.25 -0.52 0.00 -1.07 0.00 0.00 179.97 178.62 2kwp s ALA 124 N -5.37 3.89 -0.02 0.04 0.00 -0.57 -5.09 121.76 114.64 2kwp s ALA 124 Ca -0.07 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 2kwp s ALA 124 Cb 0.19 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 2kwp s ALA 124 CO 0.75 0.79 0.32 -1.64 0.00 0.00 0.00 175.76 175.97 2kwp s MET 125 N -2.30 3.72 0.33 0.00 -1.94 -1.26 -4.94 119.30 112.91 2kwp s MET 125 Ca 0.31 0.17 0.06 0.00 -1.71 0.00 0.00 55.69 54.52 2kwp s MET 125 Cb -0.13 -3.16 0.70 0.00 2.01 0.00 0.00 34.83 34.25 2kwp s MET 125 CO 0.24 0.69 1.86 -0.07 -0.01 0.00 0.00 175.02 177.73 2kwp h LEU 126 N 4.54 0.77 -6.86 -0.03 3.38 -1.95 -3.25 115.31 111.91 2kwp h LEU 126 Ca -0.52 0.04 -0.61 0.00 0.09 0.00 0.00 57.88 56.88 2kwp h LEU 126 Cb 1.22 -0.11 -0.40 0.00 0.09 0.00 0.00 40.66 41.45 2kwp h LEU 126 CO 0.62 0.41 -0.73 -0.69 0.09 0.00 0.00 178.44 178.14 2kwp s VAL 127 N -5.79 1.85 -0.08 1.22 1.01 -1.26 -4.92 120.40 112.42 2kwp s VAL 127 Ca -0.11 -3.46 0.31 0.00 0.00 0.00 0.00 61.98 58.72 2kwp s VAL 127 Cb 0.22 -2.24 0.35 0.00 0.00 0.00 0.00 36.38 34.71 2kwp s VAL 127 CO 0.80 -1.05 1.90 1.55 0.00 0.00 0.00 175.10 178.30 2kwp h PRO 128 N 5.73 0.00 0.00 2.72 0.13 -1.98 -3.55 132.00 135.04 2kwp h PRO 128 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2kwp h PRO 128 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2kwp h PRO 128 CO 0.57 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.88