#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 6.51 0.51 7.83 3.84 -0.45 -4.87 114.94 128.32 2kwp s ASN 2 Ca 0.00 -2.12 0.25 0.00 0.21 0.00 0.00 52.86 51.21 2kwp s ASN 2 Cb 0.00 -2.27 1.39 0.00 -0.55 0.00 0.00 41.25 39.82 2kwp s ASN 2 CO 0.00 -0.85 2.07 0.50 -2.79 0.00 0.00 177.10 176.03 2kwp h LYS 3 N 8.50 0.00 -0.80 0.43 3.64 -1.88 -2.28 116.57 124.17 2kwp h LYS 3 Ca -0.04 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2kwp h LYS 3 Cb 1.06 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.83 2kwp h LYS 3 CO 0.95 0.13 0.53 0.93 -2.27 0.00 0.00 179.45 179.72 2kwp h GLU 4 N 0.00 1.00 -0.18 1.90 4.39 -1.92 0.14 114.58 119.91 2kwp h GLU 4 Ca -0.00 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 2kwp h GLU 4 Cb 0.32 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2kwp h GLU 4 CO 0.02 0.66 -0.01 0.82 -1.16 0.00 0.00 179.01 179.34 2kwp h ILE 5 N 1.03 1.26 0.00 3.13 2.04 -1.73 -1.52 117.51 121.73 2kwp h ILE 5 Ca 0.31 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 2kwp h ILE 5 Cb -0.03 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2kwp h ILE 5 CO -0.08 0.27 -0.27 -0.07 0.00 0.00 0.00 178.15 178.00 2kwp h LEU 6 N 0.07 0.00 -0.34 1.44 3.38 -1.45 -2.57 115.31 115.84 2kwp h LEU 6 Ca 0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 2kwp h LEU 6 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2kwp h LEU 6 CO 0.01 0.27 -0.60 0.00 0.09 0.00 0.00 178.44 178.20 2kwp h ALA 7 N 1.73 0.51 -0.23 1.53 0.00 -0.42 -2.88 119.26 119.52 2kwp h ALA 7 Ca -0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 2kwp h ALA 7 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2kwp h ALA 7 CO 0.03 0.69 -0.15 0.28 0.00 0.00 0.00 179.25 180.11 2kwp h VAL 8 N 0.55 1.22 -0.07 0.00 2.07 -0.89 -2.35 116.25 116.78 2kwp h VAL 8 Ca -0.00 -0.97 -0.11 0.00 0.82 0.00 0.00 66.70 66.43 2kwp h VAL 8 Cb 1.20 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2kwp h VAL 8 CO 0.12 0.31 -0.46 0.58 0.02 0.00 0.00 177.57 178.14 2kwp h VAL 9 N 0.35 1.33 -0.22 2.57 2.07 -1.37 -2.64 116.25 118.35 2kwp h VAL 9 Ca 0.07 -1.64 -0.09 0.00 0.82 0.00 0.00 66.70 65.86 2kwp h VAL 9 Cb 0.47 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2kwp h VAL 9 CO 0.03 0.48 -0.25 -0.08 0.02 0.00 0.00 177.57 177.77 2kwp h GLU 10 N 0.13 0.42 -0.01 1.57 4.81 -1.21 0.12 114.58 120.41 2kwp h GLU 10 Ca 0.01 -0.15 -0.17 0.00 -0.13 0.00 0.00 59.36 58.92 2kwp h GLU 10 Cb 0.88 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 2kwp h GLU 10 CO 0.07 0.64 -0.77 0.00 -0.73 0.00 0.00 179.01 178.21 2kwp h ALA 11 N 1.37 0.69 0.01 2.92 0.00 -1.35 -2.49 119.26 120.41 2kwp h ALA 11 Ca 0.06 -0.68 -0.23 0.00 0.00 0.00 0.00 54.91 54.06 2kwp h ALA 11 Cb 0.64 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2kwp h ALA 11 CO 0.05 0.90 -1.13 0.28 0.00 0.00 0.00 179.25 179.35 2kwp h VAL 12 N 0.06 1.57 -0.26 0.00 2.07 -1.12 -2.11 116.25 116.47 2kwp h VAL 12 Ca -0.02 -3.29 -0.17 0.00 0.82 0.00 0.00 66.70 64.04 2kwp h VAL 12 Cb 1.36 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.92 2kwp h VAL 12 CO 0.11 0.90 -0.52 -1.28 0.02 0.00 0.00 177.57 176.81 2kwp h SER 13 N 0.01 0.90 0.25 0.57 0.87 -0.75 -0.98 113.55 114.41 2kwp h SER 13 Ca -0.06 -0.54 -0.24 0.00 -1.23 0.00 0.00 61.79 59.72 2kwp h SER 13 Cb 1.82 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 63.53 2kwp h SER 13 CO 0.13 1.27 -0.97 0.78 -0.53 0.00 0.00 176.83 177.51 2kwp h ASN 14 N 0.55 0.63 -0.32 6.23 2.35 -1.53 1.59 115.58 125.09 2kwp h ASN 14 Ca 0.01 -0.51 -0.07 0.00 -0.55 0.00 0.00 56.30 55.18 2kwp h ASN 14 Cb 1.13 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 2kwp h ASN 14 CO 0.11 1.31 -0.08 -0.08 -1.65 0.00 0.00 177.43 177.04 2kwp h GLU 15 N 0.27 0.62 0.00 0.81 4.57 -1.38 -3.14 114.58 116.34 2kwp h GLU 15 Ca -0.09 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 2kwp h GLU 15 Cb 1.61 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.16 2kwp h GLU 15 CO 0.17 0.80 -0.99 1.63 -1.18 0.00 0.00 179.01 179.45 2kwp n LYS 16 N -4.45 0.21 -2.84 1.92 4.76 -0.38 -4.95 118.16 112.43 2kwp n LYS 16 Ca -0.03 -0.01 -0.21 0.00 -2.87 0.00 0.00 58.31 55.19 2kwp n LYS 16 Cb 0.33 -1.56 0.02 0.00 -1.84 0.00 0.00 35.03 31.99 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 -1.74 -0.85 -2.40 7.82 0.00 0.54 -4.98 120.51 118.90 2kwp n ALA 17 Ca 0.03 0.25 -0.24 0.00 0.00 0.00 0.00 53.44 53.47 2kwp n ALA 17 Cb 0.41 -3.39 -0.05 0.00 0.00 0.00 0.00 19.45 16.42 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 -6.25 3.08 0.18 0.00 0.05 -0.95 -5.00 118.68 109.79 2kwp s LEU 18 Ca 0.22 -1.06 -0.31 0.00 0.05 0.00 0.00 54.13 53.04 2kwp s LEU 18 Cb -0.10 -1.50 -0.09 0.00 -2.05 0.00 0.00 46.19 42.45 2kwp s LEU 18 CO 0.28 -0.67 1.40 -2.16 -0.55 0.00 0.00 176.35 174.65 2kwp s PRO 19 N -4.01 4.32 0.30 1.48 0.04 -1.26 -4.67 135.00 131.20 2kwp s PRO 19 Ca 0.40 2.16 0.04 0.00 0.04 0.00 0.00 61.00 63.64 2kwp s PRO 19 Cb 0.01 -3.19 0.67 0.00 0.04 0.00 0.00 34.50 32.04 2kwp s PRO 19 CO 0.23 -0.40 1.82 0.00 0.04 0.00 0.00 177.00 178.69 2kwp h ARG 20 N 5.95 0.84 -0.81 4.56 3.08 -1.95 -0.12 114.38 125.92 2kwp h ARG 20 Ca -0.44 -0.05 0.14 0.00 0.07 0.00 0.00 59.98 59.70 2kwp h ARG 20 Cb 1.21 -0.19 -0.09 0.00 0.08 0.00 0.00 29.97 30.98 2kwp h ARG 20 CO 0.82 0.55 0.39 1.49 -1.07 0.00 0.00 179.97 182.16 2kwp h GLU 21 N 0.86 0.56 -0.72 0.04 4.81 -1.99 0.24 114.58 118.37 2kwp h GLU 21 Ca 0.52 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 2kwp h GLU 21 Cb 0.67 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 2kwp h GLU 21 CO -0.29 0.37 0.46 -0.22 -0.73 0.00 0.00 179.01 178.61 2kwp h LYS 22 N 0.58 0.95 -0.20 1.92 3.64 -1.39 -2.07 116.57 119.99 2kwp h LYS 22 Ca 0.44 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 2kwp h LYS 22 Cb 0.61 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2kwp h LYS 22 CO -0.36 0.65 0.12 0.82 -2.27 0.00 0.00 179.45 178.41 2kwp h ILE 23 N 0.98 1.08 -0.76 2.00 2.04 -0.87 -1.95 117.51 120.02 2kwp h ILE 23 Ca 0.26 -0.19 0.11 0.00 1.00 0.00 0.00 64.86 66.04 2kwp h ILE 23 Cb -0.09 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 2kwp h ILE 23 CO -0.05 0.08 0.50 -0.26 0.00 0.00 0.00 178.15 178.41 2kwp h PHE 24 N 0.25 0.67 -0.65 1.37 0.04 -0.88 -0.55 116.94 117.19 2kwp h PHE 24 Ca 0.07 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.91 2kwp h PHE 24 Cb 0.02 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 37.90 2kwp h PHE 24 CO -0.05 0.30 0.37 0.93 -0.60 0.00 0.00 178.31 179.26 2kwp h GLU 25 N 0.62 0.69 -0.30 1.51 5.08 -0.66 0.15 114.58 121.65 2kwp h GLU 25 Ca 0.36 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.60 2kwp h GLU 25 Cb 0.55 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2kwp h GLU 25 CO -0.13 0.45 -0.11 0.00 -1.00 0.00 0.00 179.01 178.22 2kwp h ALA 26 N 1.32 0.42 -0.56 3.43 0.00 -0.98 -2.00 119.26 120.88 2kwp h ALA 26 Ca 0.28 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2kwp h ALA 26 Cb 0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2kwp h ALA 26 CO -0.15 0.28 0.34 -0.07 0.00 0.00 0.00 179.25 179.65 2kwp h LEU 27 N 0.36 0.56 -0.71 0.00 3.38 -0.74 -1.55 115.31 116.62 2kwp h LEU 27 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2kwp h LEU 27 Cb 0.62 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2kwp h LEU 27 CO 0.04 0.39 0.41 -0.33 0.09 0.00 0.00 178.44 179.04 2kwp h GLU 28 N 0.68 0.97 -0.28 1.13 5.08 -0.62 -0.21 114.58 121.34 2kwp h GLU 28 Ca 0.22 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2kwp h GLU 28 Cb 0.01 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2kwp h GLU 28 CO -0.09 0.70 0.13 0.77 -1.00 0.00 0.00 179.01 179.52 2kwp h SER 29 N 0.97 0.34 0.03 1.42 0.02 -0.65 0.11 113.55 115.78 2kwp h SER 29 Ca 0.25 -0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 60.92 2kwp h SER 29 Cb -0.01 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 62.47 2kwp h SER 29 CO -0.04 0.29 -1.04 0.00 -1.14 0.00 0.00 176.83 174.90 2kwp h ALA 30 N 1.76 0.08 -0.42 3.77 0.00 -0.37 -1.73 119.26 122.36 2kwp h ALA 30 Ca 0.10 -0.70 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 2kwp h ALA 30 Cb 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2kwp h ALA 30 CO -0.01 0.64 -0.21 -0.07 0.00 0.00 0.00 179.25 179.59 2kwp h LEU 31 N 0.29 0.87 0.23 0.00 3.38 -0.52 -2.16 115.31 117.41 2kwp h LEU 31 Ca -0.14 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2kwp h LEU 31 Cb 1.71 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2kwp h LEU 31 CO 0.20 1.05 -0.11 0.00 0.09 0.00 0.00 178.44 179.67 2kwp h ALA 32 N 1.01 -0.31 -0.89 1.53 0.00 -0.85 -0.08 119.26 119.67 2kwp h ALA 32 Ca 0.10 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 55.01 2kwp h ALA 32 Cb 0.75 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.54 2kwp h ALA 32 CO 0.06 -0.42 0.41 1.15 0.00 0.00 0.00 179.25 180.45 2kwp h THR 33 N -0.83 0.53 -0.09 0.00 2.02 -1.33 0.53 112.91 113.74 2kwp h THR 33 Ca -0.03 -0.16 -0.15 0.00 0.77 0.00 0.00 66.41 66.84 2kwp h THR 33 Cb 0.51 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2kwp h THR 33 CO 0.05 0.08 -0.59 0.00 0.37 0.00 0.00 175.52 175.44 2kwp h ALA 34 N 1.68 0.83 0.06 6.16 0.00 -1.34 0.05 119.26 126.69 2kwp h ALA 34 Ca 0.54 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kwp h ALA 34 Cb 0.99 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2kwp h ALA 34 CO -0.49 0.71 -0.03 1.15 0.00 0.00 0.00 179.25 180.60 2kwp h THR 35 N 0.22 1.10 -0.33 0.00 2.02 0.19 0.62 112.91 116.74 2kwp h THR 35 Ca -0.00 -0.52 -0.11 0.00 0.77 0.00 0.00 66.41 66.55 2kwp h THR 35 Cb 1.09 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 2kwp h THR 35 CO 0.09 0.13 -0.23 0.11 0.37 0.00 0.00 175.52 176.00 2kwp h LYS 36 N -0.31 0.74 -0.13 6.66 6.56 -0.90 -2.82 116.57 126.37 2kwp h LYS 36 Ca -0.01 -0.35 -0.01 0.00 -1.06 0.00 0.00 60.65 59.22 2kwp h LYS 36 Cb 0.27 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.92 2kwp h LYS 36 CO 0.01 0.97 0.04 -0.22 -2.06 0.00 0.00 179.45 178.19 2kwp h LYS 37 N 0.51 0.18 0.23 3.15 3.64 -0.92 -1.42 116.57 121.93 2kwp h LYS 37 Ca 0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2kwp h LYS 37 Cb 0.78 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 2kwp h LYS 37 CO 0.06 0.17 -0.24 -0.22 -2.27 0.00 0.00 179.45 176.95 2kwp h LYS 38 N 0.18 -0.49 0.00 1.90 1.63 -0.60 -1.63 116.57 117.56 2kwp h LYS 38 Ca 0.05 0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 2kwp h LYS 38 Cb 0.07 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 2kwp h LYS 38 CO -0.00 -0.32 -0.24 1.88 -3.45 0.00 0.00 179.45 177.31 2kwp h TYR 39 N -0.50 0.00 -0.23 1.91 0.05 -1.50 -3.46 116.97 113.24 2kwp h TYR 39 Ca -0.00 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 2kwp h TYR 39 Cb 0.47 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.17 2kwp h TYR 39 CO -0.17 0.24 -0.09 -1.91 -1.05 0.00 0.00 178.16 175.18 2kwp n GLU 40 N -3.56 -1.20 -0.32 4.88 2.13 -0.57 -4.82 120.64 117.19 2kwp n GLU 40 Ca -0.01 0.56 0.08 0.00 0.66 0.00 0.00 57.16 58.46 2kwp n GLU 40 Cb 0.39 -4.59 0.25 0.00 0.27 0.00 0.00 31.44 27.75 2kwp n GLU 40 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2kwp n GLN 41 N -1.13 2.43 -3.85 5.31 7.27 -1.26 -4.93 117.38 121.22 2kwp n GLN 41 Ca -0.05 -2.01 -0.25 0.00 0.07 0.00 0.00 57.00 54.77 2kwp n GLN 41 Cb 0.38 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.54 2kwp n GLN 41 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2kwp n GLU 42 N 1.04 -3.52 -3.63 3.69 1.02 -1.26 -4.66 120.64 113.32 2kwp n GLU 42 Ca 0.19 0.47 -0.26 0.00 -0.02 0.00 0.00 57.16 57.54 2kwp n GLU 42 Cb 0.51 -4.67 -0.03 0.00 -0.02 0.00 0.00 31.44 27.24 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 -3.83 5.18 -0.31 -3.67 -4.36 -1.26 -4.28 121.20 108.67 2kwp s ILE 43 Ca 0.05 -0.42 -0.22 0.00 -0.26 0.00 0.00 60.65 59.80 2kwp s ILE 43 Cb -0.02 -3.77 -0.00 0.00 1.25 0.00 0.00 42.46 39.92 2kwp s ILE 43 CO 0.86 -0.28 0.73 -0.62 0.24 0.00 0.00 174.94 175.88 2kwp s ASP 44 N -3.42 6.59 0.06 4.36 -1.08 -1.21 -4.71 116.67 117.26 2kwp s ASP 44 Ca 0.39 0.55 0.06 0.00 -0.52 0.00 0.00 52.55 53.03 2kwp s ASP 44 Cb -0.10 -2.38 -0.03 0.00 -1.46 0.00 0.00 42.92 38.95 2kwp s ASP 44 CO 0.30 -0.58 -0.18 -0.69 0.52 0.00 0.00 175.17 174.55 2kwp s VAL 45 N 2.84 1.41 -0.06 1.11 1.01 -1.26 -1.98 120.40 123.47 2kwp s VAL 45 Ca 0.30 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2kwp s VAL 45 Cb -0.14 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.98 2kwp s VAL 45 CO 0.13 0.02 -0.11 -0.60 0.00 0.00 0.00 175.10 174.54 2kwp s ARG 46 N -1.40 1.56 -0.15 2.72 3.52 0.24 -4.81 118.95 120.63 2kwp s ARG 46 Ca 0.04 -0.36 -0.03 0.00 -0.13 0.00 0.00 55.73 55.24 2kwp s ARG 46 Cb -0.09 -1.31 -0.03 0.00 -1.56 0.00 0.00 34.95 31.96 2kwp s ARG 46 CO 0.02 0.01 -0.05 0.08 -0.81 0.00 0.00 175.30 174.55 2kwp s VAL 47 N 0.69 3.77 -0.08 7.11 1.01 -1.26 0.27 120.40 131.91 2kwp s VAL 47 Ca -0.14 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2kwp s VAL 47 Cb -0.16 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2kwp s VAL 47 CO 0.03 0.50 -0.13 -1.10 0.00 0.00 0.00 175.10 174.41 2kwp s GLN 48 N 0.29 2.89 -0.01 2.72 -0.21 -0.28 -4.71 119.66 120.35 2kwp s GLN 48 Ca -0.04 -0.68 0.01 0.00 0.02 0.00 0.00 55.36 54.67 2kwp s GLN 48 Cb -0.14 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.33 2kwp s GLN 48 CO 0.03 0.46 -0.01 0.42 -2.12 0.00 0.00 175.29 174.07 2kwp s ILE 49 N -0.29 4.06 -0.31 1.08 1.01 -1.26 -0.29 121.20 125.19 2kwp s ILE 49 Ca 0.02 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 2kwp s ILE 49 Cb -0.13 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.57 2kwp s ILE 49 CO 0.03 0.42 0.11 -1.81 0.00 0.00 0.00 174.94 173.69 2kwp s ASP 50 N -1.41 5.31 0.06 3.58 1.01 0.54 -4.90 116.67 120.85 2kwp s ASP 50 Ca 0.18 -0.76 -0.21 0.00 0.71 0.00 0.00 52.55 52.47 2kwp s ASP 50 Cb -0.11 -1.92 -0.12 0.00 1.01 0.00 0.00 42.92 41.78 2kwp s ASP 50 CO 0.08 -0.23 1.47 -0.09 0.21 0.00 0.00 175.17 176.61 2kwp h ARG 51 N 8.28 0.30 0.40 8.23 2.43 -1.95 2.18 114.38 134.26 2kwp h ARG 51 Ca -0.30 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 58.76 2kwp h ARG 51 Cb 1.12 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 2kwp h ARG 51 CO 0.61 0.55 -0.49 0.87 -1.51 0.00 0.00 179.97 180.00 2kwp h LYS 52 N 0.03 -0.87 -0.29 0.20 6.56 -1.97 -2.86 116.57 117.37 2kwp h LYS 52 Ca 0.04 0.06 -0.14 0.00 -1.06 0.00 0.00 60.65 59.56 2kwp h LYS 52 Cb 0.42 0.20 -0.00 0.00 -0.57 0.00 0.00 32.23 32.28 2kwp h LYS 52 CO 0.01 -0.58 -0.36 0.77 -2.06 0.00 0.00 179.45 177.23 2kwp h SER 53 N -0.91 0.83 -0.25 0.86 0.02 -1.99 -3.48 113.55 108.64 2kwp h SER 53 Ca -0.05 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2kwp h SER 53 Cb 0.81 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2kwp h SER 53 CO -0.11 1.15 0.00 0.61 -1.14 0.00 0.00 176.83 177.34 2kwp n GLY 54 N 0.22 1.12 3.15 -3.77 0.00 0.73 -4.18 105.19 102.46 2kwp n GLY 54 Ca -0.04 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 2kwp n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kwp s ASP 55 N -2.41 0.07 0.06 1.61 1.01 -0.82 -1.34 116.67 114.84 2kwp s ASP 55 Ca 0.00 -0.39 0.06 0.00 0.71 0.00 0.00 52.55 52.93 2kwp s ASP 55 Cb 0.00 0.26 -0.03 0.00 1.01 0.00 0.00 42.92 44.16 2kwp s ASP 55 CO 0.00 -0.51 -0.17 0.72 0.21 0.00 0.00 175.17 175.42 2kwp s PHE 56 N -2.39 1.46 0.22 4.23 -0.12 -1.26 0.20 117.98 120.33 2kwp s PHE 56 Ca -0.07 -0.39 0.10 0.00 -0.05 0.00 0.00 56.93 56.53 2kwp s PHE 56 Cb -0.02 -0.85 -0.04 0.00 -0.63 0.00 0.00 43.02 41.48 2kwp s PHE 56 CO -0.03 0.08 -0.15 -0.51 -0.05 0.00 0.00 175.22 174.57 2kwp s ASP 57 N -1.41 3.90 -0.11 1.98 1.01 0.60 -4.90 116.67 117.74 2kwp s ASP 57 Ca 0.03 -0.78 -0.04 0.00 0.71 0.00 0.00 52.55 52.46 2kwp s ASP 57 Cb -0.09 -0.50 -0.04 0.00 1.01 0.00 0.00 42.92 43.30 2kwp s ASP 57 CO 0.02 0.08 0.05 -0.89 0.21 0.00 0.00 175.17 174.64 2kwp s THR 58 N -2.00 4.77 0.06 -1.27 2.01 -1.26 -1.12 115.64 116.82 2kwp s THR 58 Ca 0.26 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.24 2kwp s THR 58 Cb -0.07 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 2kwp s THR 58 CO 0.14 0.59 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.16 2kwp s PHE 59 N -0.72 1.25 -0.11 4.92 0.40 0.14 -1.97 117.98 121.90 2kwp s PHE 59 Ca 0.12 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 2kwp s PHE 59 Cb -0.12 -0.72 -0.02 0.00 0.51 0.00 0.00 43.02 42.67 2kwp s PHE 59 CO 0.02 0.05 -0.13 0.50 0.70 0.00 0.00 175.22 176.37 2kwp s ARG 60 N -1.44 3.15 0.25 0.44 3.52 0.30 0.80 118.95 125.98 2kwp s ARG 60 Ca 0.00 -0.68 0.12 0.00 -0.13 0.00 0.00 55.73 55.04 2kwp s ARG 60 Cb -0.09 -2.57 -0.05 0.00 -1.56 0.00 0.00 34.95 30.68 2kwp s ARG 60 CO 0.02 0.33 -0.21 -0.98 -0.81 0.00 0.00 175.30 173.65 2kwp s ARG 61 N 0.04 1.61 0.04 5.12 1.70 -0.84 -0.05 118.95 126.57 2kwp s ARG 61 Ca -0.04 -1.68 -0.06 0.00 -0.47 0.00 0.00 55.73 53.47 2kwp s ARG 61 Cb -0.14 -1.75 -0.01 0.00 -0.57 0.00 0.00 34.95 32.48 2kwp s ARG 61 CO 0.04 0.34 0.11 -1.58 -1.08 0.00 0.00 175.30 173.14 2kwp s TRP 62 N -2.28 0.18 -0.09 5.89 0.51 -0.63 -4.44 118.94 118.08 2kwp s TRP 62 Ca 0.27 -0.47 -0.11 0.00 -2.12 0.00 0.00 56.10 53.67 2kwp s TRP 62 Cb -0.06 -0.12 -0.05 0.00 -0.81 0.00 0.00 33.47 32.43 2kwp s TRP 62 CO 0.13 -0.38 0.26 -1.17 -0.51 0.00 0.00 176.95 175.28 2kwp s LEU 63 N -2.12 4.39 -0.08 2.99 2.96 -1.09 0.24 118.68 125.97 2kwp s LEU 63 Ca -0.05 0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 54.20 2kwp s LEU 63 Cb -0.01 -2.30 -0.05 0.00 0.50 0.00 0.00 46.19 44.33 2kwp s LEU 63 CO -0.05 0.32 1.58 -0.69 -1.32 0.00 0.00 176.35 176.19 2kwp s VAL 64 N -0.76 3.72 -0.05 1.68 1.01 0.12 0.16 120.40 126.28 2kwp s VAL 64 Ca 0.18 0.87 0.04 0.00 0.00 0.00 0.00 61.98 63.07 2kwp s VAL 64 Cb -0.14 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2kwp s VAL 64 CO 0.07 -0.08 -0.15 0.68 0.00 0.00 0.00 175.10 175.62 2kwp s VAL 65 N 3.92 1.31 0.16 2.92 -7.23 0.53 -2.54 120.40 119.46 2kwp s VAL 65 Ca 0.70 -0.63 0.18 0.00 -1.81 0.00 0.00 61.98 60.42 2kwp s VAL 65 Cb -0.31 -1.14 0.13 0.00 0.56 0.00 0.00 36.38 35.61 2kwp s VAL 65 CO 0.27 0.38 1.72 -0.78 -0.31 0.00 0.00 175.10 176.38 2kwp h ASP 66 N 6.49 0.00 -1.53 4.85 3.58 -1.92 0.58 116.42 128.47 2kwp h ASP 66 Ca -0.31 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 56.70 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 0.39 -1.16 1.21 -2.88 0.00 0.00 179.24 177.28 2kwp n GLU 67 N -3.53 1.24 -0.90 0.28 2.13 -1.26 -4.68 120.64 113.93 2kwp n GLU 67 Ca -0.00 -3.43 -0.39 0.00 0.66 0.00 0.00 57.16 54.01 2kwp n GLU 67 Cb 0.52 -1.54 -0.07 0.00 0.27 0.00 0.00 31.44 30.63 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 0.07 0.00 0.33 6.31 3.14 -1.24 -4.77 118.33 122.17 2kwp n VAL 68 Ca 0.18 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.68 2kwp n VAL 68 Cb 0.72 -0.30 0.09 0.00 -1.06 0.00 0.00 33.84 33.29 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 3.65 0.00 -1.95 1.55 1.35 -1.96 -3.43 112.91 112.12 2kwp h THR 69 Ca -0.16 -0.76 -0.24 0.00 -0.55 0.00 0.00 66.41 64.70 2kwp h THR 69 Cb 0.84 1.33 -0.31 0.00 -1.73 0.00 0.00 68.15 68.28 2kwp h THR 69 CO 0.63 0.00 -0.57 -1.58 -0.25 0.00 0.00 175.52 173.75 2kwp s GLN 70 N -3.26 0.36 0.00 4.72 0.74 -1.26 -5.00 119.66 115.95 2kwp s GLN 70 Ca 0.03 0.09 0.11 0.00 0.05 0.00 0.00 55.36 55.64 2kwp s GLN 70 Cb 0.11 -0.52 0.61 0.00 1.10 0.00 0.00 33.01 34.31 2kwp s GLN 70 CO 0.75 -0.95 1.15 -0.35 -0.55 0.00 0.00 175.29 175.34 2kwp n PRO 71 N 5.34 0.27 -0.02 1.67 -0.04 -1.26 -1.42 135.00 139.53 2kwp n PRO 71 Ca -0.01 0.07 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 2kwp n PRO 71 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 1.30 0.00 0.52 1.35 -1.85 -3.35 112.91 110.88 2kwp h THR 72 Ca 0.00 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 2kwp h THR 72 Cb 0.04 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2kwp h THR 72 CO 0.00 0.59 -0.11 0.29 -0.25 0.00 0.00 175.52 176.03 2kwp n LYS 73 N -3.95 0.86 -4.22 4.72 5.02 -1.12 -3.31 118.16 116.15 2kwp n LYS 73 Ca -0.05 -1.11 -0.18 0.00 -2.02 0.00 0.00 58.31 54.96 2kwp n LYS 73 Cb 0.66 -0.74 -0.15 0.00 -0.02 0.00 0.00 35.03 34.77 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 -0.60 0.60 -0.08 1.97 2.02 -0.51 -2.67 118.70 119.43 2kwp s GLU 74 Ca 0.04 -0.20 0.02 0.00 0.02 0.00 0.00 54.97 54.85 2kwp s GLU 74 Cb 0.04 -0.59 -0.02 0.00 0.10 0.00 0.00 34.13 33.65 2kwp s GLU 74 CO 0.00 0.09 -0.14 -1.50 0.02 0.00 0.00 175.26 173.73 2kwp s ILE 75 N 0.10 3.01 0.73 -1.63 2.07 0.43 -4.04 121.20 121.86 2kwp s ILE 75 Ca -0.01 -0.72 -0.15 0.00 -1.41 0.00 0.00 60.65 58.36 2kwp s ILE 75 Cb -0.06 -2.20 0.04 0.00 0.13 0.00 0.00 42.46 40.37 2kwp s ILE 75 CO -0.00 0.57 1.22 0.42 -1.91 0.00 0.00 174.94 175.23 2kwp s THR 76 N -0.32 2.26 0.08 4.00 -4.23 -1.26 0.20 115.64 116.37 2kwp s THR 76 Ca 0.03 0.13 -0.26 0.00 -1.18 0.00 0.00 61.69 60.40 2kwp s THR 76 Cb -0.13 -2.73 -0.16 0.00 1.34 0.00 0.00 72.50 70.82 2kwp s THR 76 CO 0.02 -0.06 1.69 0.25 -0.54 0.00 0.00 174.62 175.98 2kwp h LEU 77 N -0.26 -0.26 -0.36 4.79 5.85 -0.09 -0.36 115.31 124.62 2kwp h LEU 77 Ca -0.48 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.32 2kwp h LEU 77 Cb 1.30 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.33 2kwp h LEU 77 CO 0.50 -0.18 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.23 2kwp h GLU 78 N -0.32 -0.03 -0.78 1.25 4.81 -1.91 0.84 114.58 118.45 2kwp h GLU 78 Ca -0.03 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2kwp h GLU 78 Cb 0.24 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 2kwp h GLU 78 CO 0.05 -0.02 0.51 0.00 -0.73 0.00 0.00 179.01 178.83 2kwp h ALA 79 N 1.32 1.57 -0.55 2.92 0.00 -1.86 -0.60 119.26 122.06 2kwp h ALA 79 Ca 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2kwp h ALA 79 Cb 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2kwp h ALA 79 CO -0.39 0.33 0.19 0.00 0.00 0.00 0.00 179.25 179.38 2kwp h ALA 80 N 1.56 1.30 -0.46 0.00 0.00 0.89 -1.96 119.26 120.58 2kwp h ALA 80 Ca 0.32 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2kwp h ALA 80 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2kwp h ALA 80 CO -0.10 0.51 -0.19 0.00 0.00 0.00 0.00 179.25 179.47 2kwp h ARG 81 N 0.79 0.94 -0.84 0.00 3.08 0.16 0.41 114.38 118.92 2kwp h ARG 81 Ca 0.18 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 2kwp h ARG 81 Cb 0.21 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 2kwp h ARG 81 CO -0.01 1.06 0.47 1.88 -1.07 0.00 0.00 179.97 182.30 2kwp h TYR 82 N 0.79 1.15 0.00 3.04 0.05 -0.88 -1.77 116.97 119.34 2kwp h TYR 82 Ca 0.11 -0.02 -0.19 0.00 0.05 0.00 0.00 58.73 58.67 2kwp h TYR 82 Cb 0.76 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 2kwp h TYR 82 CO 0.05 0.79 -0.92 1.49 -1.05 0.00 0.00 178.16 178.52 2kwp h GLU 83 N 1.17 0.00 -0.36 4.88 4.81 -1.20 -3.44 114.58 120.44 2kwp h GLU 83 Ca 0.30 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.72 2kwp h GLU 83 Cb 0.01 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.20 2kwp h GLU 83 CO -0.05 0.92 -0.04 0.34 -0.73 0.00 0.00 179.01 179.45 2kwp s ASP 84 N -6.67 -0.58 0.36 1.04 -1.08 0.14 -4.99 116.67 104.89 2kwp s ASP 84 Ca 0.01 0.11 0.23 0.00 -0.52 0.00 0.00 52.55 52.39 2kwp s ASP 84 Cb 0.10 1.39 1.24 0.00 -1.46 0.00 0.00 42.92 44.18 2kwp s ASP 84 CO 0.81 -0.11 1.69 -0.33 0.52 0.00 0.00 175.17 177.75 2kwp h GLU 85 N 7.48 0.00 0.00 4.34 5.08 -1.47 0.68 114.58 130.69 2kwp h GLU 85 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 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 -0.06 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.82 2kwp n SER 86 N -2.31 0.00 -4.80 1.42 3.41 -1.26 -4.74 113.62 105.33 2kwp n SER 86 Ca -0.02 -0.86 -0.38 0.00 -0.26 0.00 0.00 58.87 57.35 2kwp n SER 86 Cb 0.07 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 2kwp n SER 86 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2kwp s LEU 87 N -1.90 4.46 -0.01 1.04 1.43 0.23 -5.07 118.68 118.86 2kwp s LEU 87 Ca 0.34 1.07 0.06 0.00 -1.03 0.00 0.00 54.13 54.57 2kwp s LEU 87 Cb 0.16 -2.76 -0.02 0.00 0.03 0.00 0.00 46.19 43.60 2kwp s LEU 87 CO 0.26 0.23 -0.19 0.20 0.23 0.00 0.00 176.35 177.08 2kwp s ASN 88 N -0.70 2.20 0.80 2.29 0.02 -1.26 -4.78 114.94 113.51 2kwp s ASN 88 Ca 0.27 -0.36 -0.16 0.00 -1.02 0.00 0.00 52.86 51.58 2kwp s ASN 88 Cb -0.18 -0.23 -0.14 0.00 0.02 0.00 0.00 41.25 40.72 2kwp s ASN 88 CO 0.15 0.21 -0.57 -0.11 0.02 0.00 0.00 177.10 176.81 2kwp n LEU 89 N 2.51 -5.05 0.00 0.60 0.00 -1.26 -1.49 117.00 112.31 2kwp n LEU 89 Ca -0.15 0.31 0.00 0.00 0.00 0.00 0.00 56.01 56.17 2kwp n LEU 89 Cb 0.54 -0.75 0.00 0.00 0.00 0.00 0.00 43.42 43.21 2kwp n LEU 89 CO 0.24 -5.37 0.00 0.61 0.00 0.00 0.00 177.39 172.86 2kwp n GLY 90 N 3.03 0.70 2.58 -3.96 0.00 -1.05 -4.95 105.19 101.53 2kwp n GLY 90 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.02 2.09 -4.46 1.61 8.00 -0.55 -4.88 116.55 118.33 2kwp n ASP 91 Ca 0.00 -2.25 -0.23 0.00 0.71 0.00 0.00 54.79 53.02 2kwp n ASP 91 Cb 0.01 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.79 2.14 0.24 1.24 1.51 -1.26 0.12 117.35 119.55 2kwp s TYR 92 Ca 0.23 -0.53 0.08 0.00 -1.01 0.00 0.00 57.07 55.85 2kwp s TYR 92 Cb -0.02 -1.12 -0.05 0.00 -0.11 0.00 0.00 41.96 40.67 2kwp s TYR 92 CO 0.15 0.49 -0.13 0.08 -1.11 0.00 0.00 175.55 175.03 2kwp s VAL 93 N -2.76 1.88 0.12 0.71 1.01 0.65 -4.85 120.40 117.16 2kwp s VAL 93 Ca 0.29 -2.23 0.07 0.00 0.00 0.00 0.00 61.98 60.11 2kwp s VAL 93 Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2kwp s VAL 93 CO 0.13 -0.47 -0.16 -1.61 0.00 0.00 0.00 175.10 172.99 2kwp s GLU 94 N -3.64 1.05 -0.14 2.72 2.02 -1.26 -1.60 118.70 117.86 2kwp s GLU 94 Ca 0.26 -1.20 -0.29 0.00 0.02 0.00 0.00 54.97 53.77 2kwp s GLU 94 Cb -0.00 -1.08 0.07 0.00 0.10 0.00 0.00 34.13 33.22 2kwp s GLU 94 CO 0.10 0.23 0.72 0.34 0.02 0.00 0.00 175.26 176.67 2kwp s ASP 95 N -2.22 -0.67 0.22 -0.19 2.15 0.93 -4.93 116.67 111.96 2kwp s ASP 95 Ca 0.07 0.95 -0.27 0.00 0.43 0.00 0.00 52.55 53.73 2kwp s ASP 95 Cb -0.07 0.85 -0.09 0.00 -0.30 0.00 0.00 42.92 43.31 2kwp s ASP 95 CO 0.04 -0.46 0.87 -1.10 -0.17 0.00 0.00 175.17 174.35 2kwp s GLN 96 N -0.62 4.70 0.04 4.34 -0.21 -1.26 0.11 119.66 126.76 2kwp s GLN 96 Ca -0.06 1.33 -0.00 0.00 0.02 0.00 0.00 55.36 56.64 2kwp s GLN 96 Cb -0.02 -3.19 -0.03 0.00 1.00 0.00 0.00 33.01 30.77 2kwp s GLN 96 CO 0.06 0.50 -0.04 0.96 -2.12 0.00 0.00 175.29 174.66 2kwp s ILE 97 N -1.24 0.24 0.34 1.08 -4.36 -0.83 -4.76 121.20 111.67 2kwp s ILE 97 Ca 0.40 -1.48 -0.26 0.00 -0.26 0.00 0.00 60.65 59.06 2kwp s ILE 97 Cb -0.24 -1.07 -0.13 0.00 1.25 0.00 0.00 42.46 42.27 2kwp s ILE 97 CO 0.28 -0.79 0.80 1.21 0.24 0.00 0.00 174.94 176.69 2kwp n GLU 98 N 0.66 0.93 -4.39 0.37 2.13 -1.26 -4.27 120.64 114.81 2kwp n GLU 98 Ca -0.18 0.33 -0.24 0.00 0.66 0.00 0.00 57.16 57.74 2kwp n GLU 98 Cb 0.59 -1.66 -0.09 0.00 0.27 0.00 0.00 31.44 30.54 2kwp n GLU 98 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2kwp s SER 99 N -0.77 4.02 0.15 4.31 1.04 -1.26 -4.74 113.70 116.45 2kwp s SER 99 Ca 0.61 -0.88 -0.27 0.00 0.48 0.00 0.00 55.95 55.89 2kwp s SER 99 Cb -0.68 -0.53 -0.07 0.00 0.10 0.00 0.00 66.02 64.84 2kwp s SER 99 CO 0.58 -0.01 0.85 0.54 0.98 0.00 0.00 173.24 176.18 2kwp s VAL 100 N -2.44 4.38 0.16 5.02 0.11 -1.26 -5.02 120.40 121.34 2kwp s VAL 100 Ca 0.31 1.85 -0.29 0.00 -2.93 0.00 0.00 61.98 60.93 2kwp s VAL 100 Cb -0.05 -4.21 -0.07 0.00 -1.53 0.00 0.00 36.38 30.52 2kwp s VAL 100 CO 0.17 0.45 0.90 -0.89 -3.33 0.00 0.00 175.10 172.41 2kwp s THR 101 N -0.76 4.36 -2.08 5.04 2.01 -1.26 -4.93 115.64 118.02 2kwp s THR 101 Ca 0.39 1.96 0.14 0.00 0.31 0.00 0.00 61.69 64.49 2kwp s THR 101 Cb -0.23 -4.27 0.36 0.00 0.01 0.00 0.00 72.50 68.37 2kwp s THR 101 CO 0.28 0.42 1.34 0.33 -0.69 0.00 0.00 174.62 176.30 2kwp n PHE 102 N 2.14 0.41 0.00 4.92 7.35 -1.26 -4.13 117.46 126.89 2kwp n PHE 102 Ca -0.01 -0.21 0.11 0.00 -0.76 0.00 0.00 57.45 56.58 2kwp n PHE 102 Cb 0.48 0.00 0.54 0.00 0.35 0.00 0.00 39.48 40.85 2kwp n PHE 102 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2kwp h ASP 103 N 2.16 0.27 -1.53 -2.13 3.32 -1.98 -3.42 116.42 113.11 2kwp h ASP 103 Ca 0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 2kwp h ASP 103 Cb 0.49 -0.06 0.05 0.00 0.22 0.00 0.00 39.33 40.03 2kwp h ASP 103 CO 0.00 0.17 0.44 0.54 -1.72 0.00 0.00 179.24 178.67 2kwp n ARG 104 N -4.47 0.92 0.24 3.56 1.74 -1.26 -4.80 116.66 112.60 2kwp n ARG 104 Ca 0.06 0.33 0.12 0.00 -0.77 0.00 0.00 57.85 57.60 2kwp n ARG 104 Cb 0.31 -1.95 0.58 0.00 -1.02 0.00 0.00 32.46 30.38 2kwp n ARG 104 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2kwp h ILE 105 N 3.51 0.49 -3.05 0.55 6.09 -1.98 -3.42 117.51 119.70 2kwp h ILE 105 Ca -0.48 -0.86 -0.55 0.00 -1.37 0.00 0.00 64.86 61.60 2kwp h ILE 105 Cb 1.35 1.59 -0.01 0.00 0.47 0.00 0.00 36.82 40.23 2kwp h ILE 105 CO 0.78 0.16 0.71 -0.89 -3.07 0.00 0.00 178.15 175.85 2kwp s THR 106 N -3.83 4.03 -0.00 2.19 2.01 -1.26 -4.86 115.64 113.93 2kwp s THR 106 Ca -0.01 1.40 0.00 0.00 0.31 0.00 0.00 61.69 63.40 2kwp s THR 106 Cb 0.11 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2kwp s THR 106 CO 0.61 0.02 0.85 0.35 -0.69 0.00 0.00 174.62 175.76 2kwp n THR 107 N 4.49 0.03 -0.08 -0.82 -2.24 -1.26 -4.84 114.28 109.55 2kwp n THR 107 Ca 0.11 -0.03 -0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2kwp n THR 107 Cb 0.45 0.64 0.28 0.00 -2.10 0.00 0.00 70.33 69.60 2kwp n THR 107 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2kwp h GLN 108 N 0.00 0.71 -0.97 -0.78 4.15 -1.99 -2.04 115.11 114.19 2kwp h GLN 108 Ca 0.00 -0.11 0.03 0.00 0.77 0.00 0.00 58.65 59.35 2kwp h GLN 108 Cb 1.27 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 28.78 2kwp h GLN 108 CO 0.00 0.60 0.64 1.15 -1.93 0.00 0.00 178.83 179.28 2kwp h THR 109 N 0.70 1.17 -0.13 2.39 2.02 -2.01 -1.38 112.91 115.68 2kwp h THR 109 Ca 0.17 -0.42 -0.15 0.00 0.77 0.00 0.00 66.41 66.77 2kwp h THR 109 Cb 0.17 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 2kwp h THR 109 CO -0.01 0.22 -0.56 0.00 0.37 0.00 0.00 175.52 175.54 2kwp h ALA 110 N 1.43 0.78 -0.61 6.16 0.00 -1.76 -3.02 119.26 122.25 2kwp h ALA 110 Ca 0.38 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2kwp h ALA 110 Cb -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2kwp h ALA 110 CO -0.12 0.70 0.13 -0.22 0.00 0.00 0.00 179.25 179.74 2kwp h LYS 111 N 0.31 0.96 -0.28 0.00 1.63 -0.76 -2.24 116.57 116.19 2kwp h LYS 111 Ca 0.00 -0.22 -0.06 0.00 -0.85 0.00 0.00 60.65 59.53 2kwp h LYS 111 Cb 1.08 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.56 2kwp h LYS 111 CO 0.10 0.87 -0.07 1.96 -3.45 0.00 0.00 179.45 178.85 2kwp h GLN 112 N 0.91 0.45 -0.41 1.90 4.20 -1.19 -1.33 115.11 119.64 2kwp h GLN 112 Ca 0.19 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.64 2kwp h GLN 112 Cb 0.35 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2kwp h GLN 112 CO 0.00 0.53 -0.34 0.28 -0.67 0.00 0.00 178.83 178.63 2kwp h VAL 113 N 0.42 1.27 -0.16 -0.54 2.07 -1.31 0.21 116.25 118.21 2kwp h VAL 113 Ca 0.09 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 2kwp h VAL 113 Cb 0.39 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2kwp h VAL 113 CO 0.02 0.51 -0.06 0.40 0.02 0.00 0.00 177.57 178.47 2kwp h ILE 114 N 0.80 1.30 -0.19 4.57 2.04 -1.04 -2.20 117.51 122.78 2kwp h ILE 114 Ca 0.07 -1.06 -0.13 0.00 1.00 0.00 0.00 64.86 64.75 2kwp h ILE 114 Cb 0.94 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2kwp h ILE 114 CO 0.09 0.31 -0.42 -0.37 0.00 0.00 0.00 178.15 177.76 2kwp h VAL 115 N 0.01 1.31 -0.00 1.67 -1.51 -1.24 -1.44 116.25 115.04 2kwp h VAL 115 Ca 0.04 -1.59 -0.00 0.00 -1.23 0.00 0.00 66.70 63.92 2kwp h VAL 115 Cb 0.51 1.62 -0.00 0.00 -2.13 0.00 0.00 31.29 31.29 2kwp h VAL 115 CO 0.02 0.49 0.00 -0.61 -1.23 0.00 0.00 177.57 176.24 2kwp h GLN 116 N 0.38 0.00 -0.47 5.19 4.15 -0.48 0.93 115.11 124.81 2kwp h GLN 116 Ca 0.03 -0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 2kwp h GLN 116 Cb 0.90 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 2kwp h GLN 116 CO 0.08 0.07 -0.07 -0.22 -1.93 0.00 0.00 178.83 176.75 2kwp h LYS 117 N -0.06 0.88 -0.21 1.69 3.64 -1.35 -2.86 116.57 118.29 2kwp h LYS 117 Ca 0.00 -0.32 -0.12 0.00 -1.27 0.00 0.00 60.65 58.95 2kwp h LYS 117 Cb 0.07 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2kwp h LYS 117 CO -0.00 0.96 -0.36 0.28 -2.27 0.00 0.00 179.45 178.05 2kwp h VAL 118 N 0.72 1.29 -0.99 2.00 2.07 -1.05 -2.90 116.25 117.40 2kwp h VAL 118 Ca 0.12 -1.48 0.08 0.00 0.82 0.00 0.00 66.70 66.25 2kwp h VAL 118 Cb 0.61 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.84 2kwp h VAL 118 CO 0.04 0.46 0.63 -0.09 0.02 0.00 0.00 177.57 178.63 2kwp h ARG 119 N 0.39 1.08 -0.31 1.57 2.43 0.11 -0.15 114.38 119.50 2kwp h ARG 119 Ca 0.04 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2kwp h ARG 119 Cb 0.82 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 2kwp h ARG 119 CO 0.07 0.71 0.02 0.93 -1.51 0.00 0.00 179.97 180.19 2kwp h GLU 120 N 1.11 0.47 0.00 0.20 5.08 -1.38 -1.53 114.58 118.52 2kwp h GLU 120 Ca 0.45 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.66 2kwp h GLU 120 Cb 0.25 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2kwp h GLU 120 CO -0.20 0.48 -0.28 0.00 -1.00 0.00 0.00 179.01 178.01 2kwp h ALA 121 N 1.58 1.12 -0.61 3.43 0.00 -1.04 -2.81 119.26 120.93 2kwp h ALA 121 Ca 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2kwp h ALA 121 Cb 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2kwp h ALA 121 CO 0.00 0.35 0.31 0.93 0.00 0.00 0.00 179.25 180.85 2kwp h GLU 122 N 0.00 0.84 -0.71 0.00 4.39 -0.78 -1.79 114.58 116.53 2kwp h GLU 122 Ca -0.00 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 59.65 2kwp h GLU 122 Cb 0.70 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 2kwp h GLU 122 CO 0.04 0.64 0.47 0.00 -1.16 0.00 0.00 179.01 178.99 2kwp h ARG 123 N 0.85 0.77 -6.99 2.33 2.47 -1.53 -3.41 114.38 108.87 2kwp h ARG 123 Ca 0.21 -0.05 -0.49 0.00 -1.26 0.00 0.00 59.98 58.40 2kwp h ARG 123 Cb 0.06 -0.17 0.03 0.00 -1.65 0.00 0.00 29.97 28.24 2kwp h ARG 123 CO -0.03 0.51 0.43 0.00 0.56 0.00 0.00 179.97 181.44 2kwp s ALA 124 N -5.70 3.02 0.39 0.04 0.00 -0.67 -4.91 121.76 113.92 2kwp s ALA 124 Ca -0.10 0.75 0.08 0.00 0.00 0.00 0.00 51.96 52.69 2kwp s ALA 124 Cb 0.19 -3.30 0.82 0.00 0.00 0.00 0.00 23.12 20.83 2kwp s ALA 124 CO 0.77 -0.35 1.98 0.52 0.00 0.00 0.00 175.76 178.69 2kwp h MET 125 N 2.24 0.63 -4.95 0.00 2.86 -1.83 -3.38 114.93 110.50 2kwp h MET 125 Ca -0.49 -0.04 -0.64 0.00 -2.06 0.00 0.00 59.70 56.47 2kwp h MET 125 Cb 1.22 -0.14 -0.20 0.00 0.06 0.00 0.00 31.60 32.54 2kwp h MET 125 CO 0.61 0.41 -0.59 -1.17 1.06 0.00 0.00 176.91 177.24 2kwp s LEU 126 N -9.58 3.64 0.10 1.22 2.96 -1.26 -5.00 118.68 110.76 2kwp s LEU 126 Ca -0.09 -0.13 -0.31 0.00 -0.22 0.00 0.00 54.13 53.38 2kwp s LEU 126 Cb 0.19 -1.99 -0.12 0.00 0.50 0.00 0.00 46.19 44.77 2kwp s LEU 126 CO 0.76 -0.03 1.60 0.58 -1.32 0.00 0.00 176.35 177.94 2kwp h VAL 127 N 5.45 0.19 -3.98 1.68 2.07 -1.77 -3.42 116.25 116.47 2kwp h VAL 127 Ca -0.37 0.00 -0.51 0.00 0.82 0.00 0.00 66.70 66.63 2kwp h VAL 127 Cb 1.18 0.19 0.07 0.00 -1.52 0.00 0.00 31.29 31.21 2kwp h VAL 127 CO 0.58 0.00 0.52 -2.16 0.02 0.00 0.00 177.57 176.53 2kwp s PRO 128 N -5.95 3.79 0.00 1.57 0.04 -1.26 -4.79 135.00 128.41 2kwp s PRO 128 Ca -0.17 1.90 0.28 0.00 0.04 0.00 0.00 61.00 63.06 2kwp s PRO 128 Cb 0.07 -2.51 1.14 0.00 0.04 0.00 0.00 34.50 33.24 2kwp s PRO 128 CO 0.63 -0.56 1.80 2.89 0.04 0.00 0.00 177.00 181.80