#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwp n ASN 2 N 0.00 5.06 0.21 7.83 3.02 0.25 -4.76 115.26 126.86 2kwp n ASN 2 Ca 0.00 -3.02 0.08 0.00 -0.03 0.00 0.00 54.58 51.61 2kwp n ASN 2 Cb 0.00 -1.56 0.61 0.00 -0.61 0.00 0.00 39.78 38.22 2kwp n ASN 2 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2kwp h LYS 3 N 6.56 0.09 -0.89 3.52 1.57 -1.76 -1.43 116.57 124.23 2kwp h LYS 3 Ca 0.38 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.27 2kwp h LYS 3 Cb 0.76 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.99 2kwp h LYS 3 CO 1.45 0.06 0.57 0.93 -0.57 0.00 0.00 179.45 181.90 2kwp h GLU 4 N 0.09 0.79 -0.96 3.15 4.39 -1.90 0.13 114.58 120.27 2kwp h GLU 4 Ca 0.03 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2kwp h GLU 4 Cb 0.02 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.45 2kwp h GLU 4 CO -0.01 0.52 0.59 0.82 -1.16 0.00 0.00 179.01 179.78 2kwp h ILE 5 N 0.81 1.26 -0.02 3.13 2.04 -1.56 -1.72 117.51 121.45 2kwp h ILE 5 Ca 0.43 -0.54 -0.13 0.00 1.00 0.00 0.00 64.86 65.62 2kwp h ILE 5 Cb 0.53 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2kwp h ILE 5 CO -0.19 0.27 -0.58 -0.07 0.00 0.00 0.00 178.15 177.58 2kwp h LEU 6 N 1.32 0.06 -1.48 1.44 3.38 -1.09 -2.82 115.31 116.12 2kwp h LEU 6 Ca 0.35 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 2kwp h LEU 6 Cb -0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2kwp h LEU 6 CO -0.07 0.62 -0.27 0.00 0.09 0.00 0.00 178.44 178.82 2kwp h ALA 7 N 1.38 1.47 0.00 1.53 0.00 -0.35 -2.24 119.26 121.05 2kwp h ALA 7 Ca -0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 2kwp h ALA 7 Cb 1.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2kwp h ALA 7 CO 0.08 0.33 -0.63 0.28 0.00 0.00 0.00 179.25 179.32 2kwp h VAL 8 N 0.00 1.10 -0.35 0.00 2.07 -1.21 -3.10 116.25 114.76 2kwp h VAL 8 Ca -0.00 -2.49 -0.16 0.00 0.82 0.00 0.00 66.70 64.86 2kwp h VAL 8 Cb 0.50 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2kwp h VAL 8 CO 0.03 0.62 -0.41 0.58 0.02 0.00 0.00 177.57 178.41 2kwp h VAL 9 N 0.00 1.28 -0.07 2.57 2.07 -1.28 -2.77 116.25 118.04 2kwp h VAL 9 Ca -0.01 -1.59 -0.12 0.00 0.82 0.00 0.00 66.70 65.80 2kwp h VAL 9 Cb 1.45 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2kwp h VAL 9 CO 0.08 0.53 -0.51 -0.33 0.02 0.00 0.00 177.57 177.36 2kwp h GLU 10 N 0.71 0.19 -0.51 1.57 5.08 -1.55 -0.39 114.58 119.67 2kwp h GLU 10 Ca 0.05 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2kwp h GLU 10 Cb 1.00 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2kwp h GLU 10 CO 0.10 0.65 -0.04 0.00 -1.00 0.00 0.00 179.01 178.72 2kwp h ALA 11 N 1.33 0.97 0.08 3.43 0.00 -1.44 -2.35 119.26 121.27 2kwp h ALA 11 Ca 0.00 -0.30 -0.27 0.00 0.00 0.00 0.00 54.91 54.35 2kwp h ALA 11 Cb 0.95 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2kwp h ALA 11 CO 0.08 0.62 -1.30 0.28 0.00 0.00 0.00 179.25 178.92 2kwp h VAL 12 N 0.81 1.40 -0.60 0.00 2.07 -1.34 -2.92 116.25 115.68 2kwp h VAL 12 Ca 0.15 -3.06 -0.03 0.00 0.82 0.00 0.00 66.70 64.58 2kwp h VAL 12 Cb 0.54 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 2kwp h VAL 12 CO 0.03 0.86 0.26 0.28 0.02 0.00 0.00 177.57 179.02 2kwp h SER 13 N 0.04 0.78 0.41 0.57 0.02 -0.94 -0.85 113.55 113.59 2kwp h SER 13 Ca -0.14 -0.09 -0.27 0.00 -0.84 0.00 0.00 61.79 60.44 2kwp h SER 13 Cb 1.93 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 64.28 2kwp h SER 13 CO 0.16 0.68 -1.19 -1.13 -1.14 0.00 0.00 176.83 174.21 2kwp h ASN 14 N 0.85 0.60 -0.50 3.07 -1.24 -1.50 2.06 115.58 118.92 2kwp h ASN 14 Ca 0.21 -0.58 -0.09 0.00 0.71 0.00 0.00 56.30 56.55 2kwp h ASN 14 Cb 0.13 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 2kwp h ASN 14 CO -0.02 1.42 -0.03 -0.08 -1.29 0.00 0.00 177.43 177.43 2kwp h GLU 15 N 0.17 0.95 -0.00 6.67 4.81 -1.27 -3.23 114.58 122.66 2kwp h GLU 15 Ca -0.15 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2kwp h GLU 15 Cb 1.88 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.17 2kwp h GLU 15 CO 0.21 0.95 -0.28 1.17 -0.73 0.00 0.00 179.01 180.33 2kwp n LYS 16 N -4.18 3.09 -1.65 1.92 3.00 -0.35 -4.97 118.16 115.02 2kwp n LYS 16 Ca 0.02 -0.31 -0.17 0.00 -0.00 0.00 0.00 58.31 57.86 2kwp n LYS 16 Cb 0.35 -0.98 -0.06 0.00 0.00 0.00 0.00 35.03 34.34 2kwp n LYS 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kwp n ALA 17 N -0.70 -0.30 -2.17 3.14 0.00 0.69 -4.98 120.51 116.20 2kwp n ALA 17 Ca 0.03 0.24 -0.28 0.00 0.00 0.00 0.00 53.44 53.43 2kwp n ALA 17 Cb 0.16 -1.76 0.01 0.00 0.00 0.00 0.00 19.45 17.86 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 -3.98 3.47 0.22 0.00 0.05 -1.04 -4.97 118.68 112.43 2kwp s LEU 18 Ca 0.00 0.93 -0.30 0.00 0.05 0.00 0.00 54.13 54.81 2kwp s LEU 18 Cb 0.00 -3.87 -0.09 0.00 -2.05 0.00 0.00 46.19 40.18 2kwp s LEU 18 CO 0.00 -0.74 1.33 -2.16 -0.55 0.00 0.00 176.35 174.23 2kwp s PRO 19 N -4.86 4.37 0.27 1.48 0.04 -1.26 -4.55 135.00 130.48 2kwp s PRO 19 Ca 0.50 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.65 2kwp s PRO 19 Cb -0.10 -3.17 0.57 0.00 0.04 0.00 0.00 34.50 31.84 2kwp s PRO 19 CO 0.46 -0.27 1.78 0.00 0.04 0.00 0.00 177.00 179.00 2kwp h ARG 20 N 5.19 0.68 -0.70 4.56 3.08 -1.96 -0.84 114.38 124.40 2kwp h ARG 20 Ca -0.45 -0.04 0.16 0.00 0.07 0.00 0.00 59.98 59.71 2kwp h ARG 20 Cb 1.22 -0.15 -0.12 0.00 0.08 0.00 0.00 29.97 30.99 2kwp h ARG 20 CO 0.77 0.45 0.04 0.93 -1.07 0.00 0.00 179.97 181.09 2kwp h GLU 21 N 0.70 0.13 0.17 0.04 5.08 -1.99 -0.07 114.58 118.66 2kwp h GLU 21 Ca 0.49 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.86 2kwp h GLU 21 Cb 0.68 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2kwp h GLU 21 CO -0.35 0.09 -0.31 -0.22 -1.00 0.00 0.00 179.01 177.22 2kwp h LYS 22 N 0.14 -0.54 -0.64 2.33 3.64 -1.53 -1.98 116.57 117.98 2kwp h LYS 22 Ca 0.38 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.90 2kwp h LYS 22 Cb 0.66 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.52 2kwp h LYS 22 CO -0.59 -0.36 0.24 0.82 -2.27 0.00 0.00 179.45 177.29 2kwp h ILE 23 N -0.56 0.75 -0.92 2.00 2.04 -1.14 0.12 117.51 119.79 2kwp h ILE 23 Ca 0.02 -0.14 0.17 0.00 1.00 0.00 0.00 64.86 65.91 2kwp h ILE 23 Cb 0.57 0.29 -0.08 0.00 -0.74 0.00 0.00 36.82 36.86 2kwp h ILE 23 CO -0.15 0.08 0.59 -0.26 0.00 0.00 0.00 178.15 178.41 2kwp h PHE 24 N 0.42 0.77 -0.47 1.37 0.04 -0.37 0.22 116.94 118.93 2kwp h PHE 24 Ca 0.33 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 61.06 2kwp h PHE 24 Cb 0.43 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 2kwp h PHE 24 CO -0.17 0.23 0.06 0.93 -0.60 0.00 0.00 178.31 178.76 2kwp h GLU 25 N 0.60 0.78 -0.22 1.51 5.08 -0.10 -1.23 114.58 121.01 2kwp h GLU 25 Ca 0.48 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2kwp h GLU 25 Cb 0.92 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2kwp h GLU 25 CO -0.23 0.81 -0.07 0.00 -1.00 0.00 0.00 179.01 178.51 2kwp h ALA 26 N 0.95 0.31 -0.47 3.43 0.00 -0.44 -2.13 119.26 120.90 2kwp h ALA 26 Ca 0.14 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2kwp h ALA 26 Cb 0.41 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2kwp h ALA 26 CO 0.01 0.12 0.19 -0.07 0.00 0.00 0.00 179.25 179.50 2kwp h LEU 27 N 0.16 0.23 -0.68 0.00 3.38 -0.57 0.02 115.31 117.84 2kwp h LEU 27 Ca 0.05 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2kwp h LEU 27 Cb 0.55 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 2kwp h LEU 27 CO 0.03 0.16 0.44 -0.33 0.09 0.00 0.00 178.44 178.82 2kwp h GLU 28 N 0.38 0.85 -0.16 1.13 5.08 -1.13 -0.92 114.58 119.80 2kwp h GLU 28 Ca 0.22 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2kwp h GLU 28 Cb 0.20 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2kwp h GLU 28 CO -0.20 0.56 -0.09 1.03 -1.00 0.00 0.00 179.01 179.31 2kwp h SER 29 N 0.87 0.23 -0.26 1.42 0.87 -0.60 -1.31 113.55 114.77 2kwp h SER 29 Ca 0.26 -0.04 -0.19 0.00 -1.23 0.00 0.00 61.79 60.59 2kwp h SER 29 Cb -0.04 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2kwp h SER 29 CO -0.08 0.36 -0.57 0.00 -0.53 0.00 0.00 176.83 176.00 2kwp h ALA 30 N 1.67 0.42 -0.29 6.23 0.00 0.17 -1.06 119.26 126.40 2kwp h ALA 30 Ca 0.05 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 2kwp h ALA 30 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kwp h ALA 30 CO 0.02 0.65 -0.12 -0.07 0.00 0.00 0.00 179.25 179.73 2kwp h LEU 31 N 0.62 0.61 -0.56 0.00 -0.00 -0.80 -2.09 115.31 113.10 2kwp h LEU 31 Ca 0.00 -0.40 -0.09 0.00 -0.00 0.00 0.00 57.88 57.40 2kwp h LEU 31 Cb 1.19 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.66 2kwp h LEU 31 CO 0.13 0.87 -0.00 0.00 -0.00 0.00 0.00 178.44 179.44 2kwp h ALA 32 N 0.76 0.75 -0.39 1.53 0.00 -1.27 0.30 119.26 120.94 2kwp h ALA 32 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kwp h ALA 32 Cb 0.63 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2kwp h ALA 32 CO 0.04 0.58 0.26 1.15 0.00 0.00 0.00 179.25 181.28 2kwp h THR 33 N 0.87 1.10 0.00 0.00 2.02 -1.11 -0.50 112.91 115.29 2kwp h THR 33 Ca 0.16 -0.20 -0.15 0.00 0.77 0.00 0.00 66.41 66.99 2kwp h THR 33 Cb 0.54 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2kwp h THR 33 CO 0.03 0.10 -0.72 0.00 0.37 0.00 0.00 175.52 175.31 2kwp h ALA 34 N 1.14 0.78 -0.13 6.16 0.00 -1.22 -2.99 119.26 122.99 2kwp h ALA 34 Ca 0.14 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2kwp h ALA 34 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2kwp h ALA 34 CO -0.03 0.89 0.01 1.15 0.00 0.00 0.00 179.25 181.27 2kwp h THR 35 N 0.00 1.24 0.00 0.00 2.02 0.18 -2.52 112.91 113.82 2kwp h THR 35 Ca -0.01 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 2kwp h THR 35 Cb 1.30 1.48 -0.00 0.00 -1.74 0.00 0.00 68.15 69.18 2kwp h THR 35 CO 0.09 0.22 -0.11 0.07 0.37 0.00 0.00 175.52 176.17 2kwp h LYS 36 N -0.01 0.00 -0.69 6.66 2.10 -1.14 -2.20 116.57 121.30 2kwp h LYS 36 Ca 0.04 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.74 2kwp h LYS 36 Cb 0.33 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.62 2kwp h LYS 36 CO 0.00 0.11 0.45 0.87 -2.00 0.00 0.00 179.45 178.88 2kwp h LYS 37 N 0.00 0.74 -0.43 0.07 1.57 -1.29 -0.78 116.57 116.45 2kwp h LYS 37 Ca -0.00 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2kwp h LYS 37 Cb 0.29 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2kwp h LYS 37 CO 0.01 0.49 0.28 -0.22 -0.57 0.00 0.00 179.45 179.44 2kwp h LYS 38 N 0.76 0.56 -0.34 3.15 3.64 -1.41 -2.45 116.57 120.48 2kwp h LYS 38 Ca 0.29 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.50 2kwp h LYS 38 Cb 0.17 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2kwp h LYS 38 CO -0.09 0.37 -0.32 1.88 -2.27 0.00 0.00 179.45 179.02 2kwp h TYR 39 N 0.57 0.85 -0.20 1.91 0.05 -1.45 -3.46 116.97 115.24 2kwp h TYR 39 Ca 0.16 -0.22 -0.09 0.00 0.05 0.00 0.00 58.73 58.63 2kwp h TYR 39 Cb -0.06 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.45 2kwp h TYR 39 CO -0.05 0.95 -0.08 0.39 -1.05 0.00 0.00 178.16 178.33 2kwp n GLU 40 N -4.07 -1.58 -0.92 4.88 1.02 -0.38 -4.80 120.64 114.79 2kwp n GLU 40 Ca -0.01 0.59 -0.05 0.00 -0.02 0.00 0.00 57.16 57.68 2kwp n GLU 40 Cb 0.48 -4.85 0.28 0.00 -0.02 0.00 0.00 31.44 27.32 2kwp n GLU 40 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2kwp n GLN 41 N -0.32 3.23 -4.01 3.49 6.02 -1.26 -4.93 117.38 119.60 2kwp n GLN 41 Ca -0.04 -3.07 -0.33 0.00 -0.01 0.00 0.00 57.00 53.56 2kwp n GLN 41 Cb 0.46 -2.10 -0.02 0.00 1.02 0.00 0.00 30.24 29.61 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 -0.43 -1.67 -3.75 -1.09 1.02 -1.26 -4.70 120.64 108.77 2kwp n GLU 42 Ca 0.38 0.27 -0.31 0.00 -0.02 0.00 0.00 57.16 57.48 2kwp n GLU 42 Cb 1.28 -3.79 -0.04 0.00 -0.02 0.00 0.00 31.44 28.87 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 -3.86 5.24 -0.19 -3.67 -4.36 -1.26 -4.58 121.20 108.51 2kwp s ILE 43 Ca 0.21 -0.15 -0.28 0.00 -0.26 0.00 0.00 60.65 60.16 2kwp s ILE 43 Cb -0.09 -3.64 0.00 0.00 1.25 0.00 0.00 42.46 39.97 2kwp s ILE 43 CO 0.93 0.04 0.99 -0.62 0.24 0.00 0.00 174.94 176.51 2kwp s ASP 44 N -2.56 7.10 -0.06 4.36 2.15 -1.26 -4.84 116.67 121.56 2kwp s ASP 44 Ca 0.39 1.36 0.04 0.00 0.43 0.00 0.00 52.55 54.77 2kwp s ASP 44 Cb -0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 2kwp s ASP 44 CO 0.26 -0.57 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.83 2kwp s VAL 45 N 2.77 1.47 -0.09 1.11 1.01 -1.26 0.11 120.40 125.52 2kwp s VAL 45 Ca 0.44 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.75 2kwp s VAL 45 Cb -0.16 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 34.93 2kwp s VAL 45 CO 0.10 0.43 -0.24 -0.60 0.00 0.00 0.00 175.10 174.78 2kwp s ARG 46 N 0.24 2.90 -0.12 2.72 3.52 0.46 -4.73 118.95 123.94 2kwp s ARG 46 Ca -0.09 -0.88 0.00 0.00 -0.13 0.00 0.00 55.73 54.63 2kwp s ARG 46 Cb -0.14 -2.27 -0.02 0.00 -1.56 0.00 0.00 34.95 30.97 2kwp s ARG 46 CO 0.04 0.25 -0.12 0.14 -0.81 0.00 0.00 175.30 174.79 2kwp s VAL 47 N 0.18 3.13 -0.15 7.11 -7.23 -1.26 0.11 120.40 122.28 2kwp s VAL 47 Ca -0.14 -0.64 -0.02 0.00 -1.81 0.00 0.00 61.98 59.37 2kwp s VAL 47 Cb -0.17 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 2kwp s VAL 47 CO 0.07 0.53 -0.09 -1.58 -0.31 0.00 0.00 175.10 173.72 2kwp s GLN 48 N 0.21 3.46 0.23 4.82 0.74 -0.05 -4.78 119.66 124.30 2kwp s GLN 48 Ca -0.08 -0.63 0.07 0.00 0.05 0.00 0.00 55.36 54.78 2kwp s GLN 48 Cb -0.15 -2.76 -0.04 0.00 1.10 0.00 0.00 33.01 31.16 2kwp s GLN 48 CO 0.05 0.17 0.11 0.42 -0.55 0.00 0.00 175.29 175.49 2kwp s ILE 49 N 0.51 4.12 -0.24 -2.34 1.01 -1.26 -0.79 121.20 122.20 2kwp s ILE 49 Ca -0.07 -1.49 0.01 0.00 0.00 0.00 0.00 60.65 59.11 2kwp s ILE 49 Cb -0.15 -3.19 0.04 0.00 0.01 0.00 0.00 42.46 39.18 2kwp s ILE 49 CO 0.04 -0.29 -0.11 -1.81 0.00 0.00 0.00 174.94 172.76 2kwp s ASP 50 N -3.59 4.16 0.47 3.58 1.01 0.72 -4.88 116.67 118.13 2kwp s ASP 50 Ca 0.32 -1.14 0.24 0.00 0.71 0.00 0.00 52.55 52.68 2kwp s ASP 50 Cb -0.08 -1.56 1.12 0.00 1.01 0.00 0.00 42.92 43.41 2kwp s ASP 50 CO 0.23 -0.14 1.93 0.03 0.21 0.00 0.00 175.17 177.42 2kwp h ARG 51 N 7.86 0.00 -0.47 8.23 3.08 -1.94 2.25 114.38 133.39 2kwp h ARG 51 Ca -0.27 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.87 2kwp h ARG 51 Cb 1.08 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.03 2kwp h ARG 51 CO 0.52 0.20 -0.18 0.87 -1.07 0.00 0.00 179.97 180.32 2kwp h LYS 52 N 0.00 -0.07 0.00 0.04 6.56 -1.99 -3.31 116.57 117.80 2kwp h LYS 52 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2kwp h LYS 52 Cb 0.58 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 2kwp h LYS 52 CO 0.03 -0.05 -0.22 0.43 -2.06 0.00 0.00 179.45 177.58 2kwp n SER 53 N -5.38 1.11 -0.24 0.86 7.64 -1.17 -5.03 113.62 111.42 2kwp n SER 53 Ca 0.04 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2kwp n SER 53 Cb 0.29 0.62 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 2kwp n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kwp n GLY 54 N 0.96 0.79 3.71 0.23 0.00 0.76 -4.21 105.19 107.42 2kwp n GLY 54 Ca 0.00 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.08 6.97 -0.27 1.61 1.01 -0.84 0.84 116.67 123.90 2kwp s ASP 55 Ca 0.00 1.17 -0.08 0.00 0.71 0.00 0.00 52.55 54.35 2kwp s ASP 55 Cb 0.00 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 2kwp s ASP 55 CO 0.00 -0.14 0.10 0.12 0.21 0.00 0.00 175.17 175.46 2kwp s PHE 56 N 0.93 3.12 0.04 4.23 5.36 -1.26 -0.20 117.98 130.20 2kwp s PHE 56 Ca 0.37 -0.53 0.07 0.00 -0.96 0.00 0.00 56.93 55.88 2kwp s PHE 56 Cb -0.18 -2.28 -0.03 0.00 -0.34 0.00 0.00 43.02 40.20 2kwp s PHE 56 CO 0.17 -0.41 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.83 2kwp s ASP 57 N 1.60 3.78 -0.11 6.13 1.01 0.02 -4.97 116.67 124.13 2kwp s ASP 57 Ca 0.05 -0.42 0.02 0.00 0.71 0.00 0.00 52.55 52.91 2kwp s ASP 57 Cb -0.16 -0.61 -0.01 0.00 1.01 0.00 0.00 42.92 43.16 2kwp s ASP 57 CO 0.04 0.26 -0.19 -0.89 0.21 0.00 0.00 175.17 174.60 2kwp s THR 58 N -0.91 2.50 0.10 -1.27 2.01 -1.26 -0.87 115.64 115.93 2kwp s THR 58 Ca 0.14 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.33 2kwp s THR 58 Cb -0.10 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 2kwp s THR 58 CO 0.05 0.54 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.03 2kwp s PHE 59 N 0.35 1.23 0.32 4.92 0.08 0.29 -1.91 117.98 123.27 2kwp s PHE 59 Ca -0.15 -0.55 0.03 0.00 0.12 0.00 0.00 56.93 56.38 2kwp s PHE 59 Cb -0.17 -0.67 -0.02 0.00 -0.57 0.00 0.00 43.02 41.59 2kwp s PHE 59 CO 0.07 0.07 0.48 0.50 -0.10 0.00 0.00 175.22 176.25 2kwp s ARG 60 N -2.37 3.35 0.05 0.44 3.52 0.55 0.17 118.95 124.67 2kwp s ARG 60 Ca 0.04 -0.62 0.07 0.00 -0.13 0.00 0.00 55.73 55.09 2kwp s ARG 60 Cb -0.06 -2.76 -0.03 0.00 -1.56 0.00 0.00 34.95 30.54 2kwp s ARG 60 CO 0.02 0.19 -0.20 0.50 -0.81 0.00 0.00 175.30 174.99 2kwp s ARG 61 N -4.20 1.33 0.04 5.12 3.00 0.31 -1.74 118.95 122.81 2kwp s ARG 61 Ca 0.40 -0.96 -0.02 0.00 -1.00 0.00 0.00 55.73 54.15 2kwp s ARG 61 Cb -0.09 -1.46 -0.02 0.00 0.00 0.00 0.00 34.95 33.38 2kwp s ARG 61 CO 0.33 0.37 0.02 -1.58 0.00 0.00 0.00 175.30 174.43 2kwp s TRP 62 N -0.84 0.33 -0.18 5.12 0.51 -0.11 -4.21 118.94 119.55 2kwp s TRP 62 Ca 0.07 -0.70 -0.04 0.00 -2.12 0.00 0.00 56.10 53.31 2kwp s TRP 62 Cb -0.09 -0.24 -0.02 0.00 -0.81 0.00 0.00 33.47 32.31 2kwp s TRP 62 CO 0.02 -0.32 -0.03 -1.17 -0.51 0.00 0.00 176.95 174.94 2kwp s LEU 63 N -2.20 3.13 -0.04 2.99 1.98 -1.24 0.76 118.68 124.06 2kwp s LEU 63 Ca -0.04 -0.23 -0.30 0.00 -2.89 0.00 0.00 54.13 50.67 2kwp s LEU 63 Cb -0.01 -1.77 -0.07 0.00 0.66 0.00 0.00 46.19 45.00 2kwp s LEU 63 CO -0.05 0.09 1.81 -0.69 -1.89 0.00 0.00 176.35 175.61 2kwp s VAL 64 N 0.84 3.33 0.04 1.68 1.01 0.12 -0.24 120.40 127.18 2kwp s VAL 64 Ca -0.01 0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.43 2kwp s VAL 64 Cb -0.14 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2kwp s VAL 64 CO 0.02 -0.05 -0.18 -0.69 0.00 0.00 0.00 175.10 174.20 2kwp s VAL 65 N 4.50 1.43 -0.38 2.92 1.01 0.29 -2.63 120.40 127.55 2kwp s VAL 65 Ca 0.81 -1.09 0.27 0.00 0.00 0.00 0.00 61.98 61.97 2kwp s VAL 65 Cb -0.37 -1.26 0.31 0.00 0.00 0.00 0.00 36.38 35.06 2kwp s VAL 65 CO 0.35 0.14 1.78 -0.78 0.00 0.00 0.00 175.10 176.59 2kwp h ASP 66 N 4.95 0.00 -0.58 3.32 3.58 -1.92 0.40 116.42 126.18 2kwp h ASP 66 Ca -0.40 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 56.74 2kwp h ASP 66 Cb 1.17 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 42.00 2kwp h ASP 66 CO 0.44 0.00 -0.66 1.21 -2.88 0.00 0.00 179.24 177.35 2kwp n GLU 67 N -2.57 0.99 -1.17 0.28 4.07 -1.26 -4.75 120.64 116.23 2kwp n GLU 67 Ca 0.03 -2.34 -0.48 0.00 -0.06 0.00 0.00 57.16 54.31 2kwp n GLU 67 Cb 0.33 -1.24 -0.08 0.00 -0.06 0.00 0.00 31.44 30.40 2kwp n GLU 67 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2kwp n VAL 68 N 0.41 0.00 0.84 6.31 3.14 -1.25 -4.78 118.33 123.00 2kwp n VAL 68 Ca 0.12 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.62 2kwp n VAL 68 Cb 0.68 -0.37 0.22 0.00 -1.06 0.00 0.00 33.84 33.31 2kwp n VAL 68 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2kwp n THR 69 N 3.58 0.12 -3.26 1.55 -2.24 -1.26 -4.67 114.28 108.10 2kwp n THR 69 Ca 0.29 -0.10 -0.05 0.00 -2.27 0.00 0.00 64.05 61.92 2kwp n THR 69 Cb -0.04 0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 2kwp n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2kwp s GLN 70 N -3.07 0.60 0.00 -0.78 0.74 -1.26 -5.00 119.66 110.90 2kwp s GLN 70 Ca 0.09 -0.09 0.10 0.00 0.05 0.00 0.00 55.36 55.50 2kwp s GLN 70 Cb 0.16 -0.17 0.43 0.00 1.10 0.00 0.00 33.01 34.53 2kwp s GLN 70 CO 0.71 -1.11 1.29 -0.35 -0.55 0.00 0.00 175.29 175.28 2kwp n PRO 71 N 4.89 0.02 0.31 1.67 -0.04 -1.26 -1.47 135.00 139.12 2kwp n PRO 71 Ca 0.06 0.31 0.19 0.00 -0.04 0.00 0.00 63.50 64.03 2kwp n PRO 71 Cb 0.51 -1.50 1.03 0.00 -0.04 0.00 0.00 33.50 33.50 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 0.16 0.00 0.52 1.35 -1.94 -3.23 112.91 109.76 2kwp h THR 72 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2kwp h THR 72 Cb 0.16 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2kwp h THR 72 CO 0.00 0.02 -0.14 1.17 -0.25 0.00 0.00 175.52 176.31 2kwp n LYS 73 N -3.27 0.00 -3.96 4.72 4.81 -1.06 -4.09 118.16 115.31 2kwp n LYS 73 Ca -0.02 -0.29 -0.10 0.00 -0.87 0.00 0.00 58.31 57.03 2kwp n LYS 73 Cb 0.13 -0.15 -0.12 0.00 0.02 0.00 0.00 35.03 34.92 2kwp n LYS 73 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2kwp s GLU 74 N 0.00 0.24 -0.07 1.64 2.02 -0.54 -3.69 118.70 118.30 2kwp s GLU 74 Ca 0.00 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 54.60 2kwp s GLU 74 Cb 0.00 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.27 2kwp s GLU 74 CO 0.00 -0.02 -0.18 -1.50 0.02 0.00 0.00 175.26 173.57 2kwp s ILE 75 N -1.00 1.57 1.02 -1.63 2.07 0.66 -4.07 121.20 119.83 2kwp s ILE 75 Ca -0.11 -0.76 -0.12 0.00 -1.41 0.00 0.00 60.65 58.25 2kwp s ILE 75 Cb -0.07 -1.37 0.20 0.00 0.13 0.00 0.00 42.46 41.35 2kwp s ILE 75 CO -0.01 0.45 1.08 0.42 -1.91 0.00 0.00 174.94 174.98 2kwp s THR 76 N 0.29 2.09 0.07 4.00 -4.23 -1.26 0.11 115.64 116.70 2kwp s THR 76 Ca -0.11 0.03 -0.20 0.00 -1.18 0.00 0.00 61.69 60.23 2kwp s THR 76 Cb -0.15 -2.44 -0.11 0.00 1.34 0.00 0.00 72.50 71.14 2kwp s THR 76 CO 0.05 -0.04 1.48 0.25 -0.54 0.00 0.00 174.62 175.82 2kwp h LEU 77 N -2.01 0.37 -0.42 4.79 5.85 -0.48 0.68 115.31 124.08 2kwp h LEU 77 Ca -0.55 -0.34 0.09 0.00 0.84 0.00 0.00 57.88 57.91 2kwp h LEU 77 Cb 1.33 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.18 2kwp h LEU 77 CO 0.56 0.62 -0.13 -0.08 -0.34 0.00 0.00 178.44 179.07 2kwp h GLU 78 N 0.11 -0.03 -0.17 1.25 4.81 -1.92 0.35 114.58 118.98 2kwp h GLU 78 Ca 0.05 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 2kwp h GLU 78 Cb 0.44 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2kwp h GLU 78 CO 0.01 -0.02 -0.41 0.00 -0.73 0.00 0.00 179.01 177.87 2kwp h ALA 79 N 1.37 1.00 0.25 2.92 0.00 -1.90 -1.74 119.26 121.15 2kwp h ALA 79 Ca 0.21 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2kwp h ALA 79 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2kwp h ALA 79 CO -0.45 0.62 -0.12 0.00 0.00 0.00 0.00 179.25 179.29 2kwp h ALA 80 N 1.25 -0.33 -0.26 0.00 0.00 0.15 -2.16 119.26 117.92 2kwp h ALA 80 Ca 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2kwp h ALA 80 Cb 0.85 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2kwp h ALA 80 CO 0.07 -0.63 -0.07 0.07 0.00 0.00 0.00 179.25 178.69 2kwp h ARG 81 N -0.45 0.40 -0.44 0.00 0.11 -0.40 -0.90 114.38 112.70 2kwp h ARG 81 Ca -0.03 -0.09 0.06 0.00 0.10 0.00 0.00 59.98 60.02 2kwp h ARG 81 Cb 0.34 -0.06 -0.05 0.00 1.11 0.00 0.00 29.97 31.31 2kwp h ARG 81 CO 0.06 0.49 0.12 1.88 0.10 0.00 0.00 179.97 182.62 2kwp h TYR 82 N 0.38 0.21 0.00 4.08 0.05 -0.93 1.79 116.97 122.55 2kwp h TYR 82 Ca 0.08 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 2kwp h TYR 82 Cb 0.37 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 2kwp h TYR 82 CO 0.01 0.05 -0.10 1.49 -1.05 0.00 0.00 178.16 178.56 2kwp h GLU 83 N 0.27 0.00 -0.11 4.88 4.57 -0.90 -3.42 114.58 119.87 2kwp h GLU 83 Ca 0.21 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.49 2kwp h GLU 83 Cb 0.24 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 28.66 2kwp h GLU 83 CO -0.24 0.10 -0.08 -0.51 -1.18 0.00 0.00 179.01 177.10 2kwp s ASP 84 N -6.05 -0.17 0.61 1.04 1.01 0.49 -4.99 116.67 108.60 2kwp s ASP 84 Ca 0.03 -0.14 0.27 0.00 0.71 0.00 0.00 52.55 53.42 2kwp s ASP 84 Cb 0.08 0.22 1.10 0.00 1.01 0.00 0.00 42.92 45.33 2kwp s ASP 84 CO 0.63 -0.01 1.52 -0.33 0.21 0.00 0.00 175.17 177.18 2kwp h GLU 85 N 4.76 0.00 0.00 8.23 5.08 0.24 1.39 114.58 134.28 2kwp h GLU 85 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2kwp h GLU 85 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kwp h GLU 85 CO -0.11 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.33 2kwp n SER 86 N -3.35 0.03 -4.80 1.42 7.64 -1.26 -4.64 113.62 108.67 2kwp n SER 86 Ca 0.16 0.51 -0.37 0.00 1.01 0.00 0.00 58.87 60.18 2kwp n SER 86 Cb 1.17 -0.52 -0.06 0.00 -1.01 0.00 0.00 64.21 63.80 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 -3.08 4.43 0.11 -3.43 1.43 0.48 -5.07 118.68 113.55 2kwp s LEU 87 Ca 0.03 1.56 0.07 0.00 -1.03 0.00 0.00 54.13 54.76 2kwp s LEU 87 Cb 0.04 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 2kwp s LEU 87 CO 0.12 0.08 -0.18 0.20 0.23 0.00 0.00 176.35 176.81 2kwp s ASN 88 N -1.47 2.27 0.88 2.29 0.01 -1.26 -4.62 114.94 113.04 2kwp s ASN 88 Ca 0.41 -0.73 -0.16 0.00 -0.71 0.00 0.00 52.86 51.67 2kwp s ASN 88 Cb -0.19 -0.11 -0.14 0.00 0.41 0.00 0.00 41.25 41.22 2kwp s ASN 88 CO 0.23 -0.03 -0.68 -0.11 -1.51 0.00 0.00 177.10 175.00 2kwp n LEU 89 N 0.88 -5.44 0.00 0.60 0.00 -1.26 -1.54 117.00 110.23 2kwp n LEU 89 Ca -0.18 0.24 0.00 0.00 0.00 0.00 0.00 56.01 56.07 2kwp n LEU 89 Cb 0.55 -0.73 0.00 0.00 0.00 0.00 0.00 43.42 43.23 2kwp n LEU 89 CO 0.24 -5.59 0.00 0.61 0.00 0.00 0.00 177.39 172.65 2kwp n GLY 90 N 3.19 0.83 3.99 -3.96 0.00 -1.08 -4.96 105.19 103.20 2kwp n GLY 90 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.78 5.43 0.14 1.61 1.01 -0.59 -4.86 116.67 116.63 2kwp s ASP 91 Ca 0.00 -0.57 0.08 0.00 0.71 0.00 0.00 52.55 52.77 2kwp s ASP 91 Cb 0.00 -0.46 -0.04 0.00 1.01 0.00 0.00 42.92 43.43 2kwp s ASP 91 CO 0.00 -0.84 -0.09 -0.31 0.21 0.00 0.00 175.17 174.14 2kwp s TYR 92 N -2.44 2.69 0.07 4.23 2.02 -1.26 0.15 117.35 122.82 2kwp s TYR 92 Ca 0.54 -0.19 0.07 0.00 -0.37 0.00 0.00 57.07 57.12 2kwp s TYR 92 Cb -0.08 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 40.09 2kwp s TYR 92 CO 0.33 0.47 -0.15 0.08 -1.57 0.00 0.00 175.55 174.71 2kwp s VAL 93 N -1.47 3.04 0.08 0.71 1.01 0.23 -4.88 120.40 119.12 2kwp s VAL 93 Ca 0.23 -1.24 0.08 0.00 0.00 0.00 0.00 61.98 61.05 2kwp s VAL 93 Cb -0.10 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2kwp s VAL 93 CO 0.15 0.23 -0.17 -1.61 0.00 0.00 0.00 175.10 173.69 2kwp s GLU 94 N -1.80 1.95 0.01 2.72 2.02 -1.26 -0.94 118.70 121.40 2kwp s GLU 94 Ca 0.17 -1.07 -0.16 0.00 0.02 0.00 0.00 54.97 53.93 2kwp s GLU 94 Cb -0.11 -2.17 0.03 0.00 0.10 0.00 0.00 34.13 31.98 2kwp s GLU 94 CO 0.09 0.51 0.35 0.34 0.02 0.00 0.00 175.26 176.57 2kwp s ASP 95 N -1.85 -0.21 -0.06 -0.19 2.15 -0.71 -4.92 116.67 110.87 2kwp s ASP 95 Ca 0.17 0.01 -0.20 0.00 0.43 0.00 0.00 52.55 52.96 2kwp s ASP 95 Cb -0.11 0.36 -0.05 0.00 -0.30 0.00 0.00 42.92 42.83 2kwp s ASP 95 CO 0.08 -0.56 0.56 -1.58 -0.17 0.00 0.00 175.17 173.51 2kwp s GLN 96 N -1.96 4.33 0.23 4.34 0.74 -1.26 0.21 119.66 126.29 2kwp s GLN 96 Ca -0.09 0.64 0.02 0.00 0.05 0.00 0.00 55.36 55.98 2kwp s GLN 96 Cb -0.03 -3.40 -0.05 0.00 1.10 0.00 0.00 33.01 30.64 2kwp s GLN 96 CO 0.01 0.24 0.04 0.96 -0.55 0.00 0.00 175.29 175.99 2kwp s ILE 97 N 0.29 0.77 0.19 -2.34 -4.36 -0.80 -4.81 121.20 110.14 2kwp s ILE 97 Ca 0.30 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.42 2kwp s ILE 97 Cb -0.17 -2.43 -0.08 0.00 1.25 0.00 0.00 42.46 41.02 2kwp s ILE 97 CO 0.15 -0.21 0.82 -0.70 0.24 0.00 0.00 174.94 175.24 2kwp s GLU 98 N -3.95 4.64 0.17 0.37 2.12 -1.26 -4.52 118.70 116.28 2kwp s GLU 98 Ca 0.32 1.25 0.04 0.00 0.36 0.00 0.00 54.97 56.93 2kwp s GLU 98 Cb 0.07 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 2kwp s GLU 98 CO 0.10 0.55 -0.05 0.45 -0.54 0.00 0.00 175.26 175.76 2kwp s SER 99 N -1.18 1.65 0.64 -1.70 0.15 -1.26 -5.01 113.70 106.99 2kwp s SER 99 Ca 0.38 -1.10 0.41 0.00 0.70 0.00 0.00 55.95 56.34 2kwp s SER 99 Cb -0.24 0.03 2.18 0.00 -1.71 0.00 0.00 66.02 66.28 2kwp s SER 99 CO 0.28 -0.43 2.29 1.62 1.20 0.00 0.00 173.24 178.19 2kwp h VAL 100 N 2.69 0.05 -1.82 4.45 3.04 -1.94 -3.48 116.25 119.24 2kwp h VAL 100 Ca -0.37 -0.12 0.15 0.00 -1.01 0.00 0.00 66.70 65.36 2kwp h VAL 100 Cb 1.20 1.11 -0.09 0.00 -2.01 0.00 0.00 31.29 31.50 2kwp h VAL 100 CO 0.64 0.00 -0.64 0.41 -1.01 0.00 0.00 177.57 176.97 2kwp n THR 101 N -3.14 -0.64 -0.35 3.17 -1.04 -1.26 -4.47 114.28 106.56 2kwp n THR 101 Ca -0.02 0.53 -0.03 0.00 -2.04 0.00 0.00 64.05 62.49 2kwp n THR 101 Cb 0.12 -0.82 0.22 0.00 -1.82 0.00 0.00 70.33 68.03 2kwp n THR 101 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2kwp n PHE 102 N -3.05 1.64 -0.32 -1.42 7.35 -1.26 -4.52 117.46 115.88 2kwp n PHE 102 Ca -0.04 -0.82 0.20 0.00 -0.76 0.00 0.00 57.45 56.03 2kwp n PHE 102 Cb 0.34 -0.50 0.41 0.00 0.35 0.00 0.00 39.48 40.08 2kwp n PHE 102 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 2kwp h ASP 103 N 1.94 0.20 -2.09 -2.13 3.58 -2.00 -3.40 116.42 112.51 2kwp h ASP 103 Ca 0.16 0.21 -0.62 0.00 0.42 0.00 0.00 57.03 57.20 2kwp h ASP 103 Cb 1.77 0.24 0.12 0.00 1.72 0.00 0.00 39.33 43.19 2kwp h ASP 103 CO 0.48 -0.22 -0.24 0.54 -2.88 0.00 0.00 179.24 176.93 2kwp n ARG 104 N -5.19 0.73 0.04 0.28 1.74 -1.26 -4.84 116.66 108.15 2kwp n ARG 104 Ca 0.28 0.26 -0.11 0.00 -0.77 0.00 0.00 57.85 57.52 2kwp n ARG 104 Cb 0.90 -1.52 -0.05 0.00 -1.02 0.00 0.00 32.46 30.78 2kwp n ARG 104 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2kwp h ILE 105 N 1.28 0.70 -3.33 0.55 1.08 -2.01 -3.45 117.51 112.33 2kwp h ILE 105 Ca -0.37 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.00 2kwp h ILE 105 Cb 1.39 0.70 -0.17 0.00 -3.07 0.00 0.00 36.82 35.67 2kwp h ILE 105 CO 0.56 0.00 -0.27 0.28 -0.69 0.00 0.00 178.15 178.03 2kwp s THR 106 N -6.16 0.09 -0.09 -0.27 -1.32 -1.26 -4.78 115.64 101.84 2kwp s THR 106 Ca -0.14 -0.70 0.02 0.00 -1.21 0.00 0.00 61.69 59.66 2kwp s THR 106 Cb 0.09 -0.92 0.01 0.00 -1.51 0.00 0.00 72.50 70.17 2kwp s THR 106 CO 0.67 -0.39 -0.14 -0.89 -2.21 0.00 0.00 174.62 171.66 2kwp s THR 107 N -2.49 1.36 0.31 5.08 2.01 -1.26 -5.01 115.64 115.65 2kwp s THR 107 Ca -0.05 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.39 2kwp s THR 107 Cb -0.01 -1.25 0.14 0.00 0.01 0.00 0.00 72.50 71.39 2kwp s THR 107 CO -0.03 0.41 1.84 1.56 -0.69 0.00 0.00 174.62 177.71 2kwp h GLN 108 N 7.23 0.60 -0.89 4.92 4.20 -2.01 -2.43 115.11 126.72 2kwp h GLN 108 Ca -0.30 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.26 2kwp h GLN 108 Cb 1.18 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.84 2kwp h GLN 108 CO 0.48 0.63 0.51 1.15 -0.67 0.00 0.00 178.83 180.92 2kwp h THR 109 N 0.57 1.25 -0.61 -0.54 2.02 -2.00 -1.83 112.91 111.78 2kwp h THR 109 Ca 0.12 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 2kwp h THR 109 Cb 0.38 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 2kwp h THR 109 CO 0.01 0.28 0.13 0.00 0.37 0.00 0.00 175.52 176.31 2kwp h ALA 110 N 1.31 0.80 -0.75 6.16 0.00 -1.84 -2.38 119.26 122.55 2kwp h ALA 110 Ca 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2kwp h ALA 110 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2kwp h ALA 110 CO -0.05 0.53 0.37 0.87 0.00 0.00 0.00 179.25 180.97 2kwp h LYS 111 N 0.89 1.07 -0.54 0.00 1.57 -1.15 -2.04 116.57 116.37 2kwp h LYS 111 Ca 0.19 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2kwp h LYS 111 Cb 0.38 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2kwp h LYS 111 CO 0.01 0.81 0.10 1.96 -0.57 0.00 0.00 179.45 181.76 2kwp h GLN 112 N 1.07 0.85 -0.65 3.15 4.20 -0.97 -2.02 115.11 120.74 2kwp h GLN 112 Ca 0.26 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 2kwp h GLN 112 Cb 0.09 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 2kwp h GLN 112 CO -0.04 0.78 0.25 0.28 -0.67 0.00 0.00 178.83 179.44 2kwp h VAL 113 N 0.81 1.24 -0.61 -0.54 2.07 -0.88 0.18 116.25 118.51 2kwp h VAL 113 Ca 0.17 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 2kwp h VAL 113 Cb 0.34 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2kwp h VAL 113 CO 0.00 0.30 0.13 0.40 0.02 0.00 0.00 177.57 178.42 2kwp h ILE 114 N 0.91 1.25 -0.25 4.57 2.04 -1.08 0.16 117.51 125.12 2kwp h ILE 114 Ca 0.22 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 2kwp h ILE 114 Cb 0.21 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2kwp h ILE 114 CO -0.02 0.35 -0.02 0.58 0.00 0.00 0.00 178.15 179.05 2kwp h VAL 115 N 0.90 1.26 -0.47 1.67 2.07 -1.04 0.23 116.25 120.87 2kwp h VAL 115 Ca 0.19 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2kwp h VAL 115 Cb 0.38 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2kwp h VAL 115 CO 0.01 0.30 0.22 1.56 0.02 0.00 0.00 177.57 179.68 2kwp h GLN 116 N 0.22 0.68 -0.39 1.57 4.20 -0.81 0.11 115.11 120.70 2kwp h GLN 116 Ca 0.07 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 2kwp h GLN 116 Cb 0.45 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2kwp h GLN 116 CO 0.02 0.58 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.45 2kwp h LYS 117 N 0.62 0.75 -0.36 1.46 3.64 -0.86 -2.15 116.57 119.67 2kwp h LYS 117 Ca 0.16 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 2kwp h LYS 117 Cb 0.13 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2kwp h LYS 117 CO -0.02 0.88 0.16 0.28 -2.27 0.00 0.00 179.45 178.49 2kwp h VAL 118 N 0.55 1.17 -0.98 2.00 2.07 -0.29 -2.52 116.25 118.26 2kwp h VAL 118 Ca 0.10 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.15 2kwp h VAL 118 Cb 0.60 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 2kwp h VAL 118 CO 0.04 0.19 0.64 0.03 0.02 0.00 0.00 177.57 178.48 2kwp h ARG 119 N 0.44 1.19 -0.60 1.57 3.08 -0.69 -0.99 114.38 118.38 2kwp h ARG 119 Ca 0.12 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.15 2kwp h ARG 119 Cb 0.14 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 2kwp h ARG 119 CO -0.01 0.79 0.40 1.49 -1.07 0.00 0.00 179.97 181.56 2kwp h GLU 120 N 1.23 0.61 -0.46 0.04 4.81 -0.96 -0.48 114.58 119.37 2kwp h GLU 120 Ca 0.39 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 2kwp h GLU 120 Cb 0.02 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2kwp h GLU 120 CO -0.12 0.40 0.27 0.00 -0.73 0.00 0.00 179.01 178.83 2kwp h ALA 121 N 1.67 1.63 -0.70 2.92 0.00 -0.95 -1.35 119.26 122.47 2kwp h ALA 121 Ca 0.25 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.24 2kwp h ALA 121 Cb 0.21 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2kwp h ALA 121 CO -0.07 0.33 0.47 1.49 0.00 0.00 0.00 179.25 181.46 2kwp h GLU 122 N 0.62 0.41 -0.94 0.00 4.81 -1.05 0.08 114.58 118.52 2kwp h GLU 122 Ca 0.16 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.51 2kwp h GLU 122 Cb -0.02 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.19 2kwp h GLU 122 CO -0.03 0.27 0.60 -0.09 -0.73 0.00 0.00 179.01 179.03 2kwp h ARG 123 N 0.42 0.78 -7.01 1.92 2.43 -1.31 -3.41 114.38 108.21 2kwp h ARG 123 Ca 0.34 -0.05 -0.53 0.00 -0.81 0.00 0.00 59.98 58.93 2kwp h ARG 123 Cb 0.73 -0.18 0.10 0.00 -0.42 0.00 0.00 29.97 30.20 2kwp h ARG 123 CO -0.10 0.52 0.56 0.00 -1.51 0.00 0.00 179.97 179.44 2kwp s ALA 124 N -5.79 2.96 -0.05 2.80 0.00 0.01 -5.01 121.76 116.68 2kwp s ALA 124 Ca -0.11 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 2kwp s ALA 124 Cb 0.22 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2kwp s ALA 124 CO 0.80 -1.00 0.01 -1.64 0.00 0.00 0.00 175.76 173.93 2kwp s MET 125 N -2.71 2.94 0.06 0.00 -1.94 -1.26 -5.05 119.30 111.34 2kwp s MET 125 Ca 0.66 -0.48 -0.14 0.00 -1.71 0.00 0.00 55.69 54.03 2kwp s MET 125 Cb -0.35 -2.77 -0.06 0.00 2.01 0.00 0.00 34.83 33.65 2kwp s MET 125 CO 0.43 0.67 0.46 -0.51 -0.01 0.00 0.00 175.02 176.06 2kwp s LEU 126 N -1.20 4.41 0.19 -0.03 1.43 -1.24 -4.96 118.68 117.28 2kwp s LEU 126 Ca 0.16 0.98 -0.21 0.00 -1.03 0.00 0.00 54.13 54.03 2kwp s LEU 126 Cb -0.11 -2.89 0.14 0.00 0.03 0.00 0.00 46.19 43.35 2kwp s LEU 126 CO 0.06 0.23 1.57 0.58 0.23 0.00 0.00 176.35 179.02 2kwp h VAL 127 N 3.24 0.11 0.00 -1.59 2.07 -2.07 0.60 116.25 118.61 2kwp h VAL 127 Ca -0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2kwp h VAL 127 Cb 1.21 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2kwp h VAL 127 CO 0.64 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.78 2kwp h PRO 128 N -0.13 0.00 -0.00 1.57 0.13 -2.06 -3.58 132.00 127.93 2kwp h PRO 128 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 2kwp h PRO 128 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2kwp h PRO 128 CO -0.76 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 177.55