#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 5.78 0.51 7.83 2.47 -0.95 -4.93 114.94 125.65 2kwp s ASN 2 Ca 0.00 -1.34 0.23 0.00 0.42 0.00 0.00 52.86 52.17 2kwp s ASN 2 Cb 0.00 -2.04 1.35 0.00 -1.45 0.00 0.00 41.25 39.11 2kwp s ASN 2 CO 0.00 -0.53 2.08 0.11 -3.72 0.00 0.00 177.10 175.04 2kwp h LYS 3 N 8.49 0.00 -0.85 0.43 1.57 -1.83 -2.19 116.57 122.20 2kwp h LYS 3 Ca -0.25 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.62 2kwp h LYS 3 Cb 1.09 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.34 2kwp h LYS 3 CO 0.76 0.12 0.55 0.93 -0.57 0.00 0.00 179.45 181.25 2kwp h GLU 4 N 0.00 0.83 0.39 3.15 5.08 -1.91 0.22 114.58 122.33 2kwp h GLU 4 Ca -0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2kwp h GLU 4 Cb 0.27 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2kwp h GLU 4 CO 0.02 0.55 -0.21 0.82 -1.00 0.00 0.00 179.01 179.18 2kwp h ILE 5 N 0.85 0.56 0.00 3.13 1.08 -1.65 -0.03 117.51 121.45 2kwp h ILE 5 Ca 0.39 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.79 2kwp h ILE 5 Cb 0.37 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 2kwp h ILE 5 CO -0.15 0.00 -0.30 -0.07 -0.69 0.00 0.00 178.15 176.93 2kwp h LEU 6 N -0.56 0.00 -0.53 1.44 -0.00 -1.52 -2.70 115.31 111.45 2kwp h LEU 6 Ca -0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.71 2kwp h LEU 6 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 2kwp h LEU 6 CO 0.06 0.30 -0.16 0.00 -0.00 0.00 0.00 178.44 178.64 2kwp h ALA 7 N 1.70 0.73 0.00 1.53 0.00 0.01 -2.63 119.26 120.60 2kwp h ALA 7 Ca -0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 2kwp h ALA 7 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2kwp h ALA 7 CO 0.04 0.68 -0.38 0.28 0.00 0.00 0.00 179.25 179.87 2kwp h VAL 8 N 0.90 1.06 -0.35 0.00 2.07 -0.71 -2.10 116.25 117.12 2kwp h VAL 8 Ca 0.13 -1.41 -0.14 0.00 0.82 0.00 0.00 66.70 66.10 2kwp h VAL 8 Cb 0.74 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 2kwp h VAL 8 CO 0.06 0.37 -0.32 0.58 0.02 0.00 0.00 177.57 178.28 2kwp h VAL 9 N 0.00 1.29 -0.05 2.57 2.07 -1.21 -2.63 116.25 118.29 2kwp h VAL 9 Ca -0.00 -1.48 -0.16 0.00 0.82 0.00 0.00 66.70 65.87 2kwp h VAL 9 Cb 0.78 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2kwp h VAL 9 CO 0.05 0.49 -0.67 -0.33 0.02 0.00 0.00 177.57 177.13 2kwp h GLU 10 N 0.61 0.20 -0.68 1.57 5.08 -1.31 -1.45 114.58 118.60 2kwp h GLU 10 Ca 0.06 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 2kwp h GLU 10 Cb 0.90 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 2kwp h GLU 10 CO 0.08 0.80 0.14 0.00 -1.00 0.00 0.00 179.01 179.03 2kwp h ALA 11 N 1.16 0.96 0.03 3.43 0.00 -1.28 0.17 119.26 123.72 2kwp h ALA 11 Ca -0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.41 2kwp h ALA 11 Cb 1.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2kwp h ALA 11 CO 0.10 0.66 -1.11 0.28 0.00 0.00 0.00 179.25 179.18 2kwp h VAL 12 N 1.04 1.61 -0.00 0.00 2.07 -1.42 -3.11 116.25 116.43 2kwp h VAL 12 Ca 0.21 -3.29 -0.17 0.00 0.82 0.00 0.00 66.70 64.27 2kwp h VAL 12 Cb 0.40 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 2kwp h VAL 12 CO 0.01 0.93 -0.79 -1.28 0.02 0.00 0.00 177.57 176.45 2kwp h SER 13 N 0.02 0.10 -0.01 0.57 0.87 -1.05 -0.72 113.55 113.33 2kwp h SER 13 Ca -0.06 -0.08 -0.16 0.00 -1.23 0.00 0.00 61.79 60.26 2kwp h SER 13 Cb 1.83 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.76 2kwp h SER 13 CO 0.14 0.85 -0.55 -1.13 -0.53 0.00 0.00 176.83 175.61 2kwp h ASN 14 N 0.05 0.66 0.13 6.23 -1.24 -0.72 1.04 115.58 121.73 2kwp h ASN 14 Ca -0.02 -0.35 -0.22 0.00 0.71 0.00 0.00 56.30 56.42 2kwp h ASN 14 Cb 1.39 -0.19 0.01 0.00 0.73 0.00 0.00 38.32 40.26 2kwp h ASN 14 CO 0.11 1.08 -1.07 -0.33 -1.29 0.00 0.00 177.43 175.93 2kwp h GLU 15 N 0.45 0.26 -0.42 6.67 5.08 -1.53 -3.33 114.58 121.77 2kwp h GLU 15 Ca 0.01 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2kwp h GLU 15 Cb 1.10 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2kwp h GLU 15 CO 0.11 1.22 0.00 1.63 -1.00 0.00 0.00 179.01 180.96 2kwp n LYS 16 N -4.06 2.34 -1.95 2.33 5.02 -0.28 -4.90 118.16 116.66 2kwp n LYS 16 Ca -0.19 -2.04 -0.05 0.00 -2.02 0.00 0.00 58.31 54.01 2kwp n LYS 16 Cb 0.85 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 34.37 2kwp n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kwp n ALA 17 N 1.22 -0.58 -1.98 7.82 0.00 0.36 -4.88 120.51 122.47 2kwp n ALA 17 Ca 0.19 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 2kwp n ALA 17 Cb 0.53 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 19.16 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 -4.24 3.28 0.26 0.00 1.43 -1.15 -4.99 118.68 113.27 2kwp s LEU 18 Ca 0.00 1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 54.03 2kwp s LEU 18 Cb 0.00 -4.20 -0.09 0.00 0.03 0.00 0.00 46.19 41.92 2kwp s LEU 18 CO 0.00 -0.87 1.28 -2.16 0.23 0.00 0.00 176.35 174.83 2kwp s PRO 19 N -5.09 4.41 0.30 1.29 0.04 -1.26 -4.56 135.00 130.13 2kwp s PRO 19 Ca 0.53 2.09 -0.02 0.00 0.04 0.00 0.00 61.00 63.64 2kwp s PRO 19 Cb -0.11 -3.15 0.43 0.00 0.04 0.00 0.00 34.50 31.72 2kwp s PRO 19 CO 0.51 -0.17 1.97 0.00 0.04 0.00 0.00 177.00 179.34 2kwp h ARG 20 N 4.45 1.10 0.19 4.56 3.08 -1.95 -2.63 114.38 123.18 2kwp h ARG 20 Ca -0.46 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.53 2kwp h ARG 20 Cb 1.22 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 2kwp h ARG 20 CO 0.72 0.73 -0.23 0.93 -1.07 0.00 0.00 179.97 181.05 2kwp h GLU 21 N 1.13 -0.45 -0.44 0.04 5.08 -1.99 -2.28 114.58 115.68 2kwp h GLU 21 Ca 0.31 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.79 2kwp h GLU 21 Cb -0.12 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.15 2kwp h GLU 21 CO -0.07 -0.30 -0.05 -0.22 -1.00 0.00 0.00 179.01 177.37 2kwp h LYS 22 N -0.47 0.06 -0.37 2.33 3.64 -1.88 -1.63 116.57 118.24 2kwp h LYS 22 Ca 0.01 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 2kwp h LYS 22 Cb 0.45 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.17 2kwp h LYS 22 CO -0.08 0.04 -0.32 0.82 -2.27 0.00 0.00 179.45 177.65 2kwp h ILE 23 N 0.06 0.25 -0.81 2.00 2.04 -1.11 0.55 117.51 120.49 2kwp h ILE 23 Ca 0.21 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.25 2kwp h ILE 23 Cb 0.32 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 2kwp h ILE 23 CO -0.40 0.00 0.54 -0.26 0.00 0.00 0.00 178.15 178.03 2kwp h PHE 24 N -0.26 0.45 -0.41 1.37 0.04 -0.77 0.17 116.94 117.52 2kwp h PHE 24 Ca 0.17 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.90 2kwp h PHE 24 Cb 0.53 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 2kwp h PHE 24 CO -0.52 0.15 0.05 1.49 -0.60 0.00 0.00 178.31 178.88 2kwp h GLU 25 N 0.36 0.70 -0.24 1.51 4.81 0.73 -1.25 114.58 121.19 2kwp h GLU 25 Ca 0.40 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.38 2kwp h GLU 25 Cb 1.04 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2kwp h GLU 25 CO -0.13 0.75 -0.07 0.00 -0.73 0.00 0.00 179.01 178.84 2kwp h ALA 26 N 0.92 0.33 -0.55 2.92 0.00 0.56 -2.12 119.26 121.32 2kwp h ALA 26 Ca 0.12 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.84 2kwp h ALA 26 Cb 0.41 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2kwp h ALA 26 CO 0.01 0.14 0.20 -0.07 0.00 0.00 0.00 179.25 179.53 2kwp h LEU 27 N 0.21 0.20 -0.66 0.00 3.38 -0.71 -0.58 115.31 117.14 2kwp h LEU 27 Ca 0.06 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2kwp h LEU 27 Cb 0.53 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2kwp h LEU 27 CO 0.03 0.13 0.44 -0.33 0.09 0.00 0.00 178.44 178.79 2kwp h GLU 28 N 0.38 0.88 -0.65 1.13 5.08 -1.08 0.51 114.58 120.82 2kwp h GLU 28 Ca 0.27 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2kwp h GLU 28 Cb 0.31 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2kwp h GLU 28 CO -0.28 0.59 0.42 0.77 -1.00 0.00 0.00 179.01 179.51 2kwp h SER 29 N 0.90 0.76 -0.10 1.42 0.02 -0.50 0.17 113.55 116.23 2kwp h SER 29 Ca 0.24 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 61.00 2kwp h SER 29 Cb -0.09 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.26 2kwp h SER 29 CO -0.05 0.56 -0.59 0.00 -1.14 0.00 0.00 176.83 175.61 2kwp h ALA 30 N 1.57 0.21 -0.18 3.77 0.00 -0.28 -1.43 119.26 122.92 2kwp h ALA 30 Ca 0.24 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2kwp h ALA 30 Cb -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2kwp h ALA 30 CO -0.05 0.45 0.03 -0.07 0.00 0.00 0.00 179.25 179.61 2kwp h LEU 31 N 0.20 0.28 -0.55 0.00 3.38 -0.47 0.45 115.31 118.60 2kwp h LEU 31 Ca -0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2kwp h LEU 31 Cb 1.24 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2kwp h LEU 31 CO 0.12 0.47 0.24 0.00 0.09 0.00 0.00 178.44 179.36 2kwp h ALA 32 N 0.82 0.72 -0.56 1.53 0.00 -0.73 0.69 119.26 121.74 2kwp h ALA 32 Ca 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2kwp h ALA 32 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2kwp h ALA 32 CO 0.00 0.32 0.18 1.15 0.00 0.00 0.00 179.25 180.90 2kwp h THR 33 N 0.76 1.24 0.00 0.00 2.02 -1.13 -1.30 112.91 114.50 2kwp h THR 33 Ca 0.19 -0.79 -0.15 0.00 0.77 0.00 0.00 66.41 66.43 2kwp h THR 33 Cb 0.18 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2kwp h THR 33 CO -0.02 0.30 -0.71 0.00 0.37 0.00 0.00 175.52 175.46 2kwp h ALA 34 N 1.04 0.81 0.13 6.16 0.00 -0.59 -3.01 119.26 123.81 2kwp h ALA 34 Ca 0.18 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2kwp h ALA 34 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kwp h ALA 34 CO -0.01 0.89 -0.06 1.15 0.00 0.00 0.00 179.25 181.22 2kwp h THR 35 N 0.00 1.01 -0.15 0.00 2.02 0.81 -2.73 112.91 113.87 2kwp h THR 35 Ca -0.01 -0.66 0.04 0.00 0.77 0.00 0.00 66.41 66.56 2kwp h THR 35 Cb 1.27 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 2kwp h THR 35 CO 0.09 0.15 0.12 0.07 0.37 0.00 0.00 175.52 176.33 2kwp h LYS 36 N -0.49 0.00 -0.55 6.66 2.10 -1.29 -0.53 116.57 122.47 2kwp h LYS 36 Ca -0.02 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.68 2kwp h LYS 36 Cb 0.39 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.69 2kwp h LYS 36 CO 0.03 0.00 0.36 0.87 -2.00 0.00 0.00 179.45 178.72 2kwp h LYS 37 N 0.00 0.55 -0.96 0.07 1.57 -1.34 -0.92 116.57 115.54 2kwp h LYS 37 Ca 0.07 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2kwp h LYS 37 Cb 0.31 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 2kwp h LYS 37 CO -0.00 0.36 0.62 0.87 -0.57 0.00 0.00 179.45 180.73 2kwp h LYS 38 N 0.56 1.17 0.00 3.15 1.57 -1.09 -1.91 116.57 120.03 2kwp h LYS 38 Ca 0.23 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.74 2kwp h LYS 38 Cb 0.20 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2kwp h LYS 38 CO -0.06 0.77 -0.88 1.88 -0.57 0.00 0.00 179.45 180.59 2kwp h TYR 39 N 1.20 0.34 0.00 -1.35 0.05 -1.32 -3.46 116.97 112.42 2kwp h TYR 39 Ca 0.38 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.98 2kwp h TYR 39 Cb 0.01 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.71 2kwp h TYR 39 CO -0.01 1.00 0.00 -1.91 -1.05 0.00 0.00 178.16 176.19 2kwp n GLU 40 N -3.67 -0.79 -0.82 4.88 2.13 -0.57 -4.82 120.64 116.97 2kwp n GLU 40 Ca -0.04 0.20 0.07 0.00 0.66 0.00 0.00 57.16 58.04 2kwp n GLU 40 Cb 0.81 -3.91 0.37 0.00 0.27 0.00 0.00 31.44 28.98 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 -1.19 4.47 -4.06 5.31 6.02 -1.26 -4.94 117.38 121.73 2kwp n GLN 41 Ca 0.00 -3.11 -0.34 0.00 -0.01 0.00 0.00 57.00 53.54 2kwp n GLN 41 Cb 0.20 -2.19 -0.02 0.00 1.02 0.00 0.00 30.24 29.24 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 0.35 -1.40 -3.48 -1.09 1.02 -1.26 -4.77 120.64 110.02 2kwp n GLU 42 Ca 0.27 0.22 -0.32 0.00 -0.02 0.00 0.00 57.16 57.32 2kwp n GLU 42 Cb 1.16 -3.61 -0.05 0.00 -0.02 0.00 0.00 31.44 28.91 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 -3.89 4.99 -0.33 -3.67 -4.36 -1.26 -4.45 121.20 108.24 2kwp s ILE 43 Ca 0.21 0.37 -0.29 0.00 -0.26 0.00 0.00 60.65 60.69 2kwp s ILE 43 Cb -0.10 -3.62 0.01 0.00 1.25 0.00 0.00 42.46 40.00 2kwp s ILE 43 CO 0.94 -0.04 1.16 -1.81 0.24 0.00 0.00 174.94 175.44 2kwp s ASP 44 N -2.36 6.81 -0.04 4.36 1.01 -1.23 -4.76 116.67 120.46 2kwp s ASP 44 Ca 0.46 1.06 0.05 0.00 0.71 0.00 0.00 52.55 54.82 2kwp s ASP 44 Cb -0.11 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 2kwp s ASP 44 CO 0.22 -0.98 -0.20 -0.69 0.21 0.00 0.00 175.17 173.72 2kwp s VAL 45 N 3.98 1.64 -0.08 -1.27 1.01 -1.26 -1.96 120.40 122.46 2kwp s VAL 45 Ca 0.50 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.67 2kwp s VAL 45 Cb -0.13 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 2kwp s VAL 45 CO 0.20 0.47 -0.22 -0.60 0.00 0.00 0.00 175.10 174.95 2kwp s ARG 46 N -0.10 2.77 -0.08 2.72 3.52 0.69 -4.69 118.95 123.78 2kwp s ARG 46 Ca -0.02 -0.84 0.04 0.00 -0.13 0.00 0.00 55.73 54.78 2kwp s ARG 46 Cb -0.12 -2.29 -0.01 0.00 -1.56 0.00 0.00 34.95 30.97 2kwp s ARG 46 CO 0.02 0.35 -0.20 0.08 -0.81 0.00 0.00 175.30 174.75 2kwp s VAL 47 N -0.07 2.51 -0.08 7.11 1.01 -1.26 0.16 120.40 129.78 2kwp s VAL 47 Ca -0.05 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2kwp s VAL 47 Cb -0.14 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2kwp s VAL 47 CO 0.04 0.56 -0.08 -1.10 0.00 0.00 0.00 175.10 174.53 2kwp s GLN 48 N -0.12 2.86 0.04 2.72 -0.21 -0.77 -4.75 119.66 119.44 2kwp s GLN 48 Ca -0.04 -0.57 0.05 0.00 0.02 0.00 0.00 55.36 54.82 2kwp s GLN 48 Cb -0.14 -2.60 -0.04 0.00 1.00 0.00 0.00 33.01 31.23 2kwp s GLN 48 CO 0.04 0.59 -0.08 0.42 -2.12 0.00 0.00 175.29 174.13 2kwp s ILE 49 N -0.60 3.52 -0.33 1.08 1.01 -1.26 -0.48 121.20 124.14 2kwp s ILE 49 Ca 0.09 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 2kwp s ILE 49 Cb -0.12 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.79 2kwp s ILE 49 CO 0.02 0.30 0.16 -1.81 0.00 0.00 0.00 174.94 173.61 2kwp s ASP 50 N -1.68 5.55 0.11 3.58 1.01 0.69 -4.89 116.67 121.04 2kwp s ASP 50 Ca 0.19 -0.67 -0.14 0.00 0.71 0.00 0.00 52.55 52.63 2kwp s ASP 50 Cb -0.11 -1.99 -0.08 0.00 1.01 0.00 0.00 42.92 41.75 2kwp s ASP 50 CO 0.10 -0.25 1.43 -0.09 0.21 0.00 0.00 175.17 176.57 2kwp h ARG 51 N 8.36 0.75 0.23 8.23 2.43 -1.95 2.36 114.38 134.79 2kwp h ARG 51 Ca -0.30 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 58.46 2kwp h ARG 51 Cb 1.13 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2kwp h ARG 51 CO 0.63 1.02 -0.13 0.87 -1.51 0.00 0.00 179.97 180.84 2kwp h LYS 52 N 0.50 -0.33 0.12 0.20 1.79 -1.97 -3.15 116.57 113.73 2kwp h LYS 52 Ca 0.05 0.02 -0.30 0.00 -2.18 0.00 0.00 60.65 58.24 2kwp h LYS 52 Cb 0.88 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2kwp h LYS 52 CO 0.08 -0.22 -1.45 0.66 -1.08 0.00 0.00 179.45 177.44 2kwp h SER 53 N -0.34 0.39 -0.47 0.86 4.64 -1.98 -3.48 113.55 113.16 2kwp h SER 53 Ca -0.02 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2kwp h SER 53 Cb 0.28 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2kwp h SER 53 CO 0.03 1.41 0.00 0.61 -0.87 0.00 0.00 176.83 178.01 2kwp n GLY 54 N 1.62 0.98 2.95 -0.77 0.00 0.79 -2.51 105.19 108.26 2kwp n GLY 54 Ca -0.14 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 2kwp n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kwp s ASP 55 N -2.61 0.18 -0.00 1.61 2.15 -0.83 -2.24 116.67 114.92 2kwp s ASP 55 Ca 0.00 -0.36 0.05 0.00 0.43 0.00 0.00 52.55 52.67 2kwp s ASP 55 Cb 0.00 0.07 -0.01 0.00 -0.30 0.00 0.00 42.92 42.68 2kwp s ASP 55 CO 0.00 -0.22 -0.15 0.72 -0.17 0.00 0.00 175.17 175.35 2kwp s PHE 56 N -1.05 1.38 -0.07 -5.34 -0.12 -1.26 0.25 117.98 111.77 2kwp s PHE 56 Ca -0.11 -0.28 -0.01 0.00 -0.05 0.00 0.00 56.93 56.48 2kwp s PHE 56 Cb -0.07 -0.88 -0.03 0.00 -0.63 0.00 0.00 43.02 41.41 2kwp s PHE 56 CO -0.01 -0.01 -0.02 0.34 -0.05 0.00 0.00 175.22 175.47 2kwp s ASP 57 N -0.49 5.06 0.11 1.98 2.15 0.36 -4.89 116.67 120.95 2kwp s ASP 57 Ca 0.06 0.08 -0.27 0.00 0.43 0.00 0.00 52.55 52.84 2kwp s ASP 57 Cb -0.06 -1.37 -0.06 0.00 -0.30 0.00 0.00 42.92 41.12 2kwp s ASP 57 CO -0.00 0.36 0.85 -0.89 -0.17 0.00 0.00 175.17 175.32 2kwp s THR 58 N -0.89 4.53 0.09 1.71 2.01 -1.26 -1.84 115.64 119.98 2kwp s THR 58 Ca 0.14 1.84 0.05 0.00 0.31 0.00 0.00 61.69 64.02 2kwp s THR 58 Cb -0.11 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 2kwp s THR 58 CO 0.03 0.39 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.87 2kwp s PHE 59 N -0.33 1.18 0.14 4.92 0.08 0.41 -1.95 117.98 122.42 2kwp s PHE 59 Ca 0.41 -0.55 0.11 0.00 0.12 0.00 0.00 56.93 57.02 2kwp s PHE 59 Cb -0.22 -0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 2kwp s PHE 59 CO 0.27 0.05 -0.25 0.50 -0.10 0.00 0.00 175.22 175.69 2kwp s ARG 60 N -2.31 1.49 0.08 0.44 3.52 0.38 0.25 118.95 122.80 2kwp s ARG 60 Ca 0.03 -1.34 -0.09 0.00 -0.13 0.00 0.00 55.73 54.19 2kwp s ARG 60 Cb -0.06 -1.93 0.00 0.00 -1.56 0.00 0.00 34.95 31.39 2kwp s ARG 60 CO 0.02 0.45 0.20 -0.98 -0.81 0.00 0.00 175.30 174.18 2kwp s ARG 61 N -2.17 0.83 0.04 5.12 1.70 -0.83 0.13 118.95 123.77 2kwp s ARG 61 Ca 0.16 -0.89 -0.05 0.00 -0.47 0.00 0.00 55.73 54.48 2kwp s ARG 61 Cb -0.10 0.34 -0.02 0.00 -0.57 0.00 0.00 34.95 34.61 2kwp s ARG 61 CO 0.07 -0.26 0.07 -1.58 -1.08 0.00 0.00 175.30 172.52 2kwp s TRP 62 N -3.63 0.24 0.00 5.89 0.51 -0.20 -4.43 118.94 117.33 2kwp s TRP 62 Ca 0.03 -0.58 -0.20 0.00 -2.12 0.00 0.00 56.10 53.23 2kwp s TRP 62 Cb 0.04 -0.18 -0.06 0.00 -0.81 0.00 0.00 33.47 32.47 2kwp s TRP 62 CO -0.10 -0.36 0.57 -1.17 -0.51 0.00 0.00 176.95 175.38 2kwp s LEU 63 N -2.20 4.44 -0.18 2.99 1.98 -1.24 0.14 118.68 124.61 2kwp s LEU 63 Ca -0.04 1.15 -0.29 0.00 -2.89 0.00 0.00 54.13 52.05 2kwp s LEU 63 Cb -0.00 -2.88 -0.03 0.00 0.66 0.00 0.00 46.19 43.94 2kwp s LEU 63 CO -0.05 0.15 1.52 -0.69 -1.89 0.00 0.00 176.35 175.39 2kwp s VAL 64 N -0.39 3.83 0.05 1.68 1.01 0.24 -0.40 120.40 126.43 2kwp s VAL 64 Ca 0.30 0.97 0.09 0.00 0.00 0.00 0.00 61.98 63.33 2kwp s VAL 64 Cb -0.18 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2kwp s VAL 64 CO 0.17 -0.23 -0.25 -0.69 0.00 0.00 0.00 175.10 174.10 2kwp s VAL 65 N 4.53 2.02 -0.36 2.92 1.01 0.67 -1.73 120.40 129.46 2kwp s VAL 65 Ca 0.67 -1.38 0.26 0.00 0.00 0.00 0.00 61.98 61.52 2kwp s VAL 65 Cb -0.25 -1.74 0.28 0.00 0.00 0.00 0.00 36.38 34.67 2kwp s VAL 65 CO 0.26 0.29 1.77 -0.78 0.00 0.00 0.00 175.10 176.64 2kwp h ASP 66 N 4.70 0.00 -0.25 3.32 3.58 -1.92 2.13 116.42 127.98 2kwp h ASP 66 Ca -0.46 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 56.73 2kwp h ASP 66 Cb 1.15 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 42.02 2kwp h ASP 66 CO 0.43 0.00 -0.53 1.21 -2.88 0.00 0.00 179.24 177.47 2kwp n GLU 67 N -2.43 1.05 -1.46 0.28 2.13 -1.26 -4.62 120.64 114.33 2kwp n GLU 67 Ca 0.02 -2.11 -0.61 0.00 0.66 0.00 0.00 57.16 55.12 2kwp n GLU 67 Cb 0.25 -0.91 -0.10 0.00 0.27 0.00 0.00 31.44 30.95 2kwp n GLU 67 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2kwp n VAL 68 N 0.15 0.00 0.17 6.31 0.31 -1.25 -4.77 118.33 119.25 2kwp n VAL 68 Ca 0.06 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.50 2kwp n VAL 68 Cb 0.73 -0.47 0.10 0.00 -0.91 0.00 0.00 33.84 33.29 2kwp n VAL 68 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2kwp h THR 69 N 5.38 0.07 -2.66 2.52 1.35 -1.97 -3.42 112.91 114.17 2kwp h THR 69 Ca -0.29 -1.11 -0.43 0.00 -0.55 0.00 0.00 66.41 64.03 2kwp h THR 69 Cb 1.30 1.88 -0.38 0.00 -1.73 0.00 0.00 68.15 69.22 2kwp h THR 69 CO 0.96 0.04 -0.71 -1.10 -0.25 0.00 0.00 175.52 174.46 2kwp s GLN 70 N -3.23 0.19 0.00 4.72 -0.21 -1.26 -4.99 119.66 114.87 2kwp s GLN 70 Ca 0.04 -0.18 0.15 0.00 0.02 0.00 0.00 55.36 55.39 2kwp s GLN 70 Cb 0.07 -1.22 0.87 0.00 1.00 0.00 0.00 33.01 33.73 2kwp s GLN 70 CO 0.72 -0.86 1.29 -0.35 -2.12 0.00 0.00 175.29 173.97 2kwp n PRO 71 N 5.28 0.51 0.06 2.91 -0.04 -1.26 -2.24 135.00 140.23 2kwp n PRO 71 Ca -0.05 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.33 2kwp n PRO 71 Cb 0.46 -1.45 0.08 0.00 -0.04 0.00 0.00 33.50 32.55 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 1.37 0.00 0.52 1.35 -1.91 -3.35 112.91 110.89 2kwp h THR 72 Ca 0.00 -2.01 0.00 0.00 -0.55 0.00 0.00 66.41 63.85 2kwp h THR 72 Cb 0.00 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2kwp h THR 72 CO 0.00 0.60 -0.12 0.29 -0.25 0.00 0.00 175.52 176.05 2kwp n LYS 73 N -3.87 0.55 -3.94 4.72 5.02 -1.18 -3.57 118.16 115.89 2kwp n LYS 73 Ca -0.03 -0.91 -0.10 0.00 -2.02 0.00 0.00 58.31 55.25 2kwp n LYS 73 Cb 0.65 -0.64 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 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 -0.34 0.32 -0.12 1.97 2.02 -0.95 -3.64 118.70 117.96 2kwp s GLU 74 Ca 0.02 -0.49 0.02 0.00 0.02 0.00 0.00 54.97 54.55 2kwp s GLU 74 Cb 0.02 0.12 -0.00 0.00 0.10 0.00 0.00 34.13 34.37 2kwp s GLU 74 CO 0.00 -0.06 -0.20 -1.50 0.02 0.00 0.00 175.26 173.52 2kwp s ILE 75 N -1.28 2.39 0.93 -1.63 2.07 0.47 -4.05 121.20 120.10 2kwp s ILE 75 Ca -0.14 -0.89 -0.11 0.00 -1.41 0.00 0.00 60.65 58.10 2kwp s ILE 75 Cb -0.08 -1.96 0.12 0.00 0.13 0.00 0.00 42.46 40.67 2kwp s ILE 75 CO -0.00 0.54 0.94 0.35 -1.91 0.00 0.00 174.94 174.86 2kwp n THR 76 N 3.65 0.00 -0.10 4.00 -2.24 -1.26 -0.24 114.28 118.09 2kwp n THR 76 Ca -0.19 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.45 2kwp n THR 76 Cb 0.53 -0.89 -0.01 0.00 -2.10 0.00 0.00 70.33 67.85 2kwp n THR 76 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2kwp h LEU 77 N -1.82 0.39 -0.60 3.22 5.85 0.33 -0.92 115.31 121.75 2kwp h LEU 77 Ca -0.43 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.32 2kwp h LEU 77 Cb 1.27 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 2kwp h LEU 77 CO 0.39 0.29 0.33 -0.08 -0.34 0.00 0.00 178.44 179.03 2kwp h GLU 78 N 0.45 0.62 -0.74 1.25 4.81 -1.90 -1.53 114.58 117.54 2kwp h GLU 78 Ca 0.12 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2kwp h GLU 78 Cb -0.05 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 2kwp h GLU 78 CO -0.03 0.41 0.43 0.00 -0.73 0.00 0.00 179.01 179.10 2kwp h ALA 79 N 1.30 0.94 -0.79 2.92 0.00 -1.77 -1.79 119.26 120.07 2kwp h ALA 79 Ca 0.26 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2kwp h ALA 79 Cb 0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2kwp h ALA 79 CO -0.15 0.42 0.52 0.00 0.00 0.00 0.00 179.25 180.04 2kwp h ALA 80 N 1.23 1.46 -0.55 0.00 0.00 -0.29 -1.78 119.26 119.33 2kwp h ALA 80 Ca 0.26 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2kwp h ALA 80 Cb -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2kwp h ALA 80 CO -0.05 0.49 -0.03 0.00 0.00 0.00 0.00 179.25 179.66 2kwp h ARG 81 N 1.04 0.98 -0.73 0.00 3.08 -0.51 0.47 114.38 118.72 2kwp h ARG 81 Ca 0.29 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2kwp h ARG 81 Cb -0.08 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 2kwp h ARG 81 CO -0.07 1.00 0.43 1.88 -1.07 0.00 0.00 179.97 182.15 2kwp h TYR 82 N 0.86 0.97 -0.02 3.04 0.05 -0.58 -1.49 116.97 119.79 2kwp h TYR 82 Ca 0.15 -0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.77 2kwp h TYR 82 Cb 0.58 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 2kwp h TYR 82 CO 0.04 0.66 -0.69 0.93 -1.05 0.00 0.00 178.16 178.05 2kwp h GLU 83 N 1.00 0.10 -0.13 4.88 4.39 -1.16 -3.44 114.58 120.22 2kwp h GLU 83 Ca 0.26 -0.08 0.25 0.00 0.34 0.00 0.00 59.36 60.13 2kwp h GLU 83 Cb -0.02 0.02 -0.19 0.00 -0.10 0.00 0.00 28.75 28.45 2kwp h GLU 83 CO -0.05 0.75 0.08 0.34 -1.16 0.00 0.00 179.01 178.97 2kwp s ASP 84 N -6.86 -0.21 0.60 1.42 -1.08 0.14 -4.99 116.67 105.69 2kwp s ASP 84 Ca -0.02 0.04 0.27 0.00 -0.52 0.00 0.00 52.55 52.32 2kwp s ASP 84 Cb 0.12 1.14 1.27 0.00 -1.46 0.00 0.00 42.92 43.98 2kwp s ASP 84 CO 0.79 -0.04 1.68 -0.33 0.52 0.00 0.00 175.17 177.79 2kwp h GLU 85 N 7.27 0.00 0.00 4.34 5.08 -1.45 1.02 114.58 130.84 2kwp h GLU 85 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2kwp h GLU 85 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kwp h GLU 85 CO -0.15 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.73 2kwp n SER 86 N -3.44 0.34 -4.79 1.42 3.41 -1.26 -4.59 113.62 104.71 2kwp n SER 86 Ca 0.12 0.64 -0.39 0.00 -0.26 0.00 0.00 58.87 58.98 2kwp n SER 86 Cb 0.94 -0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 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 -3.86 4.57 0.00 1.04 1.43 0.35 -5.06 118.68 117.15 2kwp s LEU 87 Ca 0.00 1.54 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 2kwp s LEU 87 Cb 0.05 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.06 2kwp s LEU 87 CO 0.17 0.22 0.07 -0.46 0.23 0.00 0.00 176.35 176.59 2kwp n ASN 88 N 1.60 0.89 -4.70 2.29 6.94 -1.26 -4.60 115.26 116.42 2kwp n ASN 88 Ca -0.07 -1.99 -0.42 0.00 -0.02 0.00 0.00 54.58 52.08 2kwp n ASN 88 Cb 0.49 0.51 -0.03 0.00 -2.36 0.00 0.00 39.78 38.39 2kwp n ASN 88 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2kwp s LEU 89 N 0.00 4.35 0.00 -4.53 1.98 -1.26 -1.84 118.68 117.39 2kwp s LEU 89 Ca 0.11 2.39 0.00 0.00 -2.89 0.00 0.00 54.13 53.74 2kwp s LEU 89 Cb 0.01 -3.57 0.00 0.00 0.66 0.00 0.00 46.19 43.29 2kwp s LEU 89 CO 0.07 -0.80 0.00 0.61 -1.89 0.00 0.00 176.35 174.34 2kwp n GLY 90 N 3.81 0.25 3.92 7.98 0.00 -0.70 -5.00 105.19 115.45 2kwp n GLY 90 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 2kwp n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kwp s ASP 91 N -2.44 6.29 -0.18 1.61 2.15 -0.76 -4.78 116.67 118.56 2kwp s ASP 91 Ca 0.00 0.68 -0.05 0.00 0.43 0.00 0.00 52.55 53.61 2kwp s ASP 91 Cb 0.00 -2.13 -0.03 0.00 -0.30 0.00 0.00 42.92 40.46 2kwp s ASP 91 CO 0.00 -0.41 -0.01 -0.31 -0.17 0.00 0.00 175.17 174.27 2kwp s TYR 92 N -2.49 3.07 0.18 -5.34 2.02 -1.26 0.83 117.35 114.37 2kwp s TYR 92 Ca 0.43 -0.28 -0.13 0.00 -0.37 0.00 0.00 57.07 56.73 2kwp s TYR 92 Cb -0.10 -2.02 -0.07 0.00 -0.40 0.00 0.00 41.96 39.37 2kwp s TYR 92 CO 0.39 -0.07 0.56 0.54 -1.57 0.00 0.00 175.55 175.41 2kwp s VAL 93 N 0.58 4.87 0.13 0.71 0.11 0.37 -4.86 120.40 122.31 2kwp s VAL 93 Ca -0.01 0.72 0.10 0.00 -2.93 0.00 0.00 61.98 59.86 2kwp s VAL 93 Cb -0.14 -3.69 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 2kwp s VAL 93 CO 0.02 0.12 -0.24 -1.61 -3.33 0.00 0.00 175.10 170.06 2kwp s GLU 94 N -2.29 1.30 -0.07 1.54 2.02 -1.26 -1.03 118.70 118.91 2kwp s GLU 94 Ca 0.42 -1.30 -0.24 0.00 0.02 0.00 0.00 54.97 53.86 2kwp s GLU 94 Cb -0.14 -1.67 0.05 0.00 0.10 0.00 0.00 34.13 32.48 2kwp s GLU 94 CO 0.20 0.39 0.55 -0.51 0.02 0.00 0.00 175.26 175.91 2kwp s ASP 95 N -2.10 -0.51 0.12 -0.19 1.01 0.34 -4.93 116.67 110.40 2kwp s ASP 95 Ca 0.12 0.61 -0.22 0.00 0.71 0.00 0.00 52.55 53.77 2kwp s ASP 95 Cb -0.10 0.58 -0.07 0.00 1.01 0.00 0.00 42.92 44.35 2kwp s ASP 95 CO 0.06 -0.49 0.66 -1.10 0.21 0.00 0.00 175.17 174.51 2kwp s GLN 96 N -0.97 4.36 0.13 8.23 -0.21 -1.26 0.15 119.66 130.09 2kwp s GLN 96 Ca -0.10 0.93 0.03 0.00 0.02 0.00 0.00 55.36 56.24 2kwp s GLN 96 Cb -0.02 -3.24 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 2kwp s GLN 96 CO 0.07 0.61 -0.08 0.96 -2.12 0.00 0.00 175.29 174.73 2kwp s ILE 97 N -1.13 0.96 0.54 1.08 -4.36 -0.82 -4.79 121.20 112.68 2kwp s ILE 97 Ca 0.32 -2.01 -0.20 0.00 -0.26 0.00 0.00 60.65 58.50 2kwp s ILE 97 Cb -0.21 -1.82 -0.08 0.00 1.25 0.00 0.00 42.46 41.61 2kwp s ILE 97 CO 0.22 -0.77 0.82 -0.62 0.24 0.00 0.00 174.94 174.84 2kwp n GLU 98 N -0.15 0.87 -4.45 0.37 1.02 -1.26 -4.32 120.64 112.72 2kwp n GLU 98 Ca -0.11 0.33 -0.23 0.00 -0.02 0.00 0.00 57.16 57.14 2kwp n GLU 98 Cb 0.61 -1.97 -0.10 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.09 3.26 -0.13 1.62 1.04 -1.26 -4.71 113.70 112.43 2kwp s SER 99 Ca 0.70 -1.08 -0.08 0.00 0.48 0.00 0.00 55.95 55.97 2kwp s SER 99 Cb -0.47 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.36 2kwp s SER 99 CO 0.52 -0.11 0.14 0.54 0.98 0.00 0.00 173.24 175.31 2kwp s VAL 100 N -2.71 5.49 0.27 5.02 0.11 -1.26 -5.03 120.40 122.29 2kwp s VAL 100 Ca 0.29 0.22 -0.30 0.00 -2.93 0.00 0.00 61.98 59.25 2kwp s VAL 100 Cb -0.01 -3.41 -0.11 0.00 -1.53 0.00 0.00 36.38 31.31 2kwp s VAL 100 CO 0.13 0.60 1.61 -0.89 -3.33 0.00 0.00 175.10 173.22 2kwp s THR 101 N -0.86 2.10 0.35 5.04 2.01 -1.26 -4.85 115.64 118.17 2kwp s THR 101 Ca 0.14 0.08 0.31 0.00 0.31 0.00 0.00 61.69 62.53 2kwp s THR 101 Cb -0.12 -3.05 0.33 0.00 0.01 0.00 0.00 72.50 69.66 2kwp s THR 101 CO 0.03 0.01 2.07 0.15 -0.69 0.00 0.00 174.62 176.19 2kwp h PHE 102 N 5.27 0.00 -0.91 4.92 3.57 -1.97 -2.98 116.94 124.84 2kwp h PHE 102 Ca -0.46 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.29 2kwp h PHE 102 Cb 1.22 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.80 2kwp h PHE 102 CO 0.60 0.09 0.22 0.22 -2.23 0.00 0.00 178.31 177.21 2kwp h ASP 103 N 0.00 -0.07 -0.55 0.41 3.58 -2.00 1.06 116.42 118.85 2kwp h ASP 103 Ca -0.00 0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.62 2kwp h ASP 103 Cb 0.37 0.31 -0.03 0.00 1.72 0.00 0.00 39.33 41.70 2kwp h ASP 103 CO 0.01 -0.21 0.20 -0.09 -2.88 0.00 0.00 179.24 176.27 2kwp h ARG 104 N 0.15 0.89 0.00 0.28 2.43 -1.91 -1.27 114.38 114.95 2kwp h ARG 104 Ca 0.58 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 2kwp h ARG 104 Cb 1.21 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2kwp h ARG 104 CO -0.71 0.75 0.00 0.82 -1.51 0.00 0.00 179.97 179.32 2kwp h ILE 105 N 0.86 0.00 -0.85 1.20 2.04 0.86 -3.18 117.51 118.45 2kwp h ILE 105 Ca 0.20 -0.58 0.25 0.00 1.00 0.00 0.00 64.86 65.72 2kwp h ILE 105 Cb 0.22 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2kwp h ILE 105 CO -0.01 0.00 0.93 0.74 0.00 0.00 0.00 178.15 179.81 2kwp h THR 106 N 0.00 0.15 -3.64 -0.27 2.02 0.49 -3.33 112.91 108.33 2kwp h THR 106 Ca 0.00 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.72 2kwp h THR 106 Cb 0.66 0.26 0.20 0.00 -1.74 0.00 0.00 68.15 67.52 2kwp h THR 106 CO 0.00 0.00 0.10 0.42 0.37 0.00 0.00 175.52 176.41 2kwp s THR 107 N -4.54 2.12 -0.80 3.16 -4.23 -1.20 -4.83 115.64 105.33 2kwp s THR 107 Ca -0.03 0.04 0.11 0.00 -1.18 0.00 0.00 61.69 60.63 2kwp s THR 107 Cb 0.15 -2.17 0.11 0.00 1.34 0.00 0.00 72.50 71.93 2kwp s THR 107 CO 0.53 -0.05 1.35 0.00 -0.54 0.00 0.00 174.62 175.90 2kwp n GLN 108 N -4.59 0.05 -0.26 3.99 6.02 -1.26 -2.56 117.38 118.77 2kwp n GLN 108 Ca 0.06 0.44 0.17 0.00 -0.01 0.00 0.00 57.00 57.65 2kwp n GLN 108 Cb 0.54 -1.63 0.47 0.00 1.02 0.00 0.00 30.24 30.64 2kwp n GLN 108 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2kwp h THR 109 N 0.00 0.70 -0.23 5.09 2.02 -1.88 0.36 112.91 118.98 2kwp h THR 109 Ca 0.00 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 2kwp h THR 109 Cb 0.12 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2kwp h THR 109 CO 0.00 0.09 -0.17 0.00 0.37 0.00 0.00 175.52 175.81 2kwp h ALA 110 N 1.61 1.28 0.00 6.16 0.00 -1.61 -2.25 119.26 124.45 2kwp h ALA 110 Ca 0.48 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2kwp h ALA 110 Cb 1.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2kwp h ALA 110 CO -0.21 0.48 -0.40 -0.22 0.00 0.00 0.00 179.25 178.89 2kwp h LYS 111 N 0.37 0.00 -0.74 0.00 3.64 -0.50 -2.74 116.57 116.60 2kwp h LYS 111 Ca 0.06 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 2kwp h LYS 111 Cb 0.52 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 2kwp h LYS 111 CO 0.03 0.40 0.48 1.96 -2.27 0.00 0.00 179.45 180.06 2kwp h GLN 112 N 0.00 0.69 0.00 1.90 4.20 -0.96 0.73 115.11 121.67 2kwp h GLN 112 Ca -0.00 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 2kwp h GLN 112 Cb 0.74 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2kwp h GLN 112 CO 0.05 0.46 -0.26 -0.39 -0.67 0.00 0.00 178.83 178.02 2kwp h VAL 113 N 0.71 0.49 -0.15 -0.54 -1.51 -1.56 -3.03 116.25 110.66 2kwp h VAL 113 Ca 0.33 -1.51 -0.17 0.00 -1.23 0.00 0.00 66.70 64.12 2kwp h VAL 113 Cb 0.36 2.10 -0.00 0.00 -2.13 0.00 0.00 31.29 31.61 2kwp h VAL 113 CO -0.12 0.26 -0.61 0.40 -1.23 0.00 0.00 177.57 176.27 2kwp h ILE 114 N 0.00 1.33 -0.11 7.19 2.04 -0.83 -2.44 117.51 124.69 2kwp h ILE 114 Ca -0.00 -1.89 -0.21 0.00 1.00 0.00 0.00 64.86 63.75 2kwp h ILE 114 Cb 1.08 1.87 0.01 0.00 -0.74 0.00 0.00 36.82 39.03 2kwp h ILE 114 CO 0.03 0.58 -0.79 0.58 0.00 0.00 0.00 178.15 178.56 2kwp h VAL 115 N 0.39 1.32 -0.22 1.67 2.07 -1.40 -2.25 116.25 117.82 2kwp h VAL 115 Ca -0.01 -2.07 -0.02 0.00 0.82 0.00 0.00 66.70 65.43 2kwp h VAL 115 Cb 1.16 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2kwp h VAL 115 CO 0.11 0.64 0.05 1.56 0.02 0.00 0.00 177.57 179.96 2kwp h GLN 116 N 0.43 0.36 -0.74 1.57 1.08 -1.50 0.46 115.11 116.77 2kwp h GLN 116 Ca -0.05 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.00 2kwp h GLN 116 Cb 1.40 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.75 2kwp h GLN 116 CO 0.15 0.48 0.23 0.87 -0.95 0.00 0.00 178.83 179.60 2kwp h LYS 117 N 0.18 1.16 -0.14 1.46 1.57 -1.48 -2.44 116.57 116.88 2kwp h LYS 117 Ca 0.07 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.49 2kwp h LYS 117 Cb 0.28 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2kwp h LYS 117 CO 0.00 0.99 -0.38 0.28 -0.57 0.00 0.00 179.45 179.77 2kwp h VAL 118 N 1.11 1.30 -0.48 0.50 2.07 -1.21 -2.72 116.25 116.81 2kwp h VAL 118 Ca 0.24 -1.45 0.05 0.00 0.82 0.00 0.00 66.70 66.35 2kwp h VAL 118 Cb 0.31 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 2kwp h VAL 118 CO -0.01 0.44 0.32 -0.09 0.02 0.00 0.00 177.57 178.26 2kwp h ARG 119 N 0.25 0.46 -0.34 1.57 2.43 -0.40 -0.42 114.38 117.92 2kwp h ARG 119 Ca 0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kwp h ARG 119 Cb 0.78 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 2kwp h ARG 119 CO 0.06 0.30 0.22 0.93 -1.51 0.00 0.00 179.97 179.98 2kwp h GLU 120 N 0.47 0.45 0.00 0.20 4.39 -1.40 -0.27 114.58 118.42 2kwp h GLU 120 Ca 0.20 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 2kwp h GLU 120 Cb 0.22 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2kwp h GLU 120 CO -0.05 0.30 -0.11 0.00 -1.16 0.00 0.00 179.01 177.99 2kwp h ALA 121 N 1.79 1.46 -0.13 3.43 0.00 -1.18 -1.73 119.26 122.89 2kwp h ALA 121 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kwp h ALA 121 Cb -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kwp h ALA 121 CO -0.03 0.13 0.04 0.93 0.00 0.00 0.00 179.25 180.33 2kwp h GLU 122 N 0.00 0.18 -0.98 0.00 5.08 -1.08 -1.83 114.58 115.96 2kwp h GLU 122 Ca -0.00 -0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.50 2kwp h GLU 122 Cb 0.25 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.37 2kwp h GLU 122 CO 0.01 0.16 0.61 0.00 -1.00 0.00 0.00 179.01 178.80 2kwp h ARG 123 N 0.18 0.78 -5.05 2.33 3.08 -1.41 -3.32 114.38 110.97 2kwp h ARG 123 Ca 0.05 -0.05 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 2kwp h ARG 123 Cb 0.06 -0.18 -0.17 0.00 0.08 0.00 0.00 29.97 29.76 2kwp h ARG 123 CO -0.00 0.52 0.21 0.00 -1.07 0.00 0.00 179.97 179.62 2kwp s ALA 124 N -5.82 3.32 0.26 0.04 0.00 -0.69 -4.90 121.76 113.98 2kwp s ALA 124 Ca -0.11 -1.86 -0.03 0.00 0.00 0.00 0.00 51.96 49.96 2kwp s ALA 124 Cb 0.23 -3.54 0.33 0.00 0.00 0.00 0.00 23.12 20.15 2kwp s ALA 124 CO 0.80 -2.29 1.81 0.52 0.00 0.00 0.00 175.76 176.60 2kwp h MET 125 N 9.19 0.91 -5.79 0.00 2.86 -1.81 -3.41 114.93 116.88 2kwp h MET 125 Ca -0.28 -0.19 -0.67 0.00 -2.06 0.00 0.00 59.70 56.50 2kwp h MET 125 Cb 1.09 -0.14 -0.14 0.00 0.06 0.00 0.00 31.60 32.47 2kwp h MET 125 CO 1.06 0.81 -0.59 -0.51 1.06 0.00 0.00 176.91 178.74 2kwp s LEU 126 N -9.41 3.74 0.10 1.22 1.02 -1.26 -5.09 118.68 109.00 2kwp s LEU 126 Ca -0.10 0.18 -0.26 0.00 0.02 0.00 0.00 54.13 53.97 2kwp s LEU 126 Cb 0.15 -1.88 -0.06 0.00 0.02 0.00 0.00 46.19 44.42 2kwp s LEU 126 CO 0.81 0.35 0.81 -0.69 0.02 0.00 0.00 176.35 177.65 2kwp s VAL 127 N -0.70 4.56 -0.04 -1.59 1.01 -1.26 -4.94 120.40 117.44 2kwp s VAL 127 Ca 0.11 1.74 0.31 0.00 0.00 0.00 0.00 61.98 64.14 2kwp s VAL 127 Cb -0.12 -4.16 0.36 0.00 0.00 0.00 0.00 36.38 32.46 2kwp s VAL 127 CO 0.02 0.41 1.92 1.55 0.00 0.00 0.00 175.10 179.00 2kwp h PRO 128 N 5.19 0.00 0.00 2.72 0.13 -1.98 -3.55 132.00 134.51 2kwp h PRO 128 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kwp h PRO 128 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kwp h PRO 128 CO 0.69 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.00