#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal n THR 2 N 0.00 1.96 -0.35 0.00 -2.24 -1.26 -4.71 114.28 107.69 2qal n THR 2 Ca 0.00 -0.45 -0.11 0.00 -2.27 0.00 0.00 64.05 61.22 2qal n THR 2 Cb 0.00 -0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 67.46 2qal n THR 2 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2qal h VAL 3 N -0.08 0.01 -0.84 2.28 2.07 -2.05 -1.45 116.25 116.18 2qal h VAL 3 Ca -0.45 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.17 2qal h VAL 3 Cb 1.37 0.01 -0.12 0.00 -1.52 0.00 0.00 31.29 31.03 2qal h VAL 3 CO 0.44 0.00 -0.42 0.59 0.02 0.00 0.00 177.57 178.20 2qal n ASN 4 N -5.30 -0.73 -0.21 0.57 4.13 -1.26 -0.41 115.26 112.04 2qal n ASN 4 Ca 0.02 1.49 -0.06 0.00 1.68 0.00 0.00 54.58 57.71 2qal n ASN 4 Cb 0.29 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 2qal n ASN 4 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2qal h GLN 5 N 0.00 -0.16 -0.47 3.52 4.20 -1.58 0.20 115.11 120.82 2qal h GLN 5 Ca 0.21 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 2qal h GLN 5 Cb 0.42 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2qal h GLN 5 CO -0.81 -0.11 0.20 -0.07 -0.67 0.00 0.00 178.83 177.37 2qal h LEU 6 N -0.17 0.59 -1.50 1.46 3.38 -0.70 0.29 115.31 118.67 2qal h LEU 6 Ca 0.23 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2qal h LEU 6 Cb 0.56 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2qal h LEU 6 CO -0.69 0.52 -0.13 0.58 0.09 0.00 0.00 178.44 178.81 2qal h VAL 7 N 0.66 1.16 0.00 1.22 2.07 0.98 0.33 116.25 122.66 2qal h VAL 7 Ca 0.16 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2qal h VAL 7 Cb 0.11 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2qal h VAL 7 CO -0.02 0.21 -1.45 0.54 0.02 0.00 0.00 177.57 176.87 2qal n ARG 8 N -4.30 0.63 -3.03 1.57 1.74 -0.29 -4.65 116.66 108.33 2qal n ARG 8 Ca -0.01 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 2qal n ARG 8 Cb 0.25 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 2qal n ARG 8 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2qal n LYS 9 N -2.54 0.52 -1.24 5.56 3.00 0.95 -5.09 118.16 119.32 2qal n LYS 9 Ca -0.03 -2.54 -0.36 0.00 -0.00 0.00 0.00 58.31 55.37 2qal n LYS 9 Cb 0.59 -1.48 0.06 0.00 0.00 0.00 0.00 35.03 34.21 2qal n LYS 9 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2qal n PRO 10 N 2.33 0.24 -1.63 1.64 -0.02 0.11 -4.34 135.00 133.34 2qal n PRO 10 Ca 0.20 0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 2qal n PRO 10 Cb 0.55 -1.68 0.01 0.00 -0.02 0.00 0.00 33.50 32.36 2qal n PRO 10 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qal n ARG 11 N -0.27 1.43 -4.19 -0.52 5.12 -1.26 -4.97 116.66 112.00 2qal n ARG 11 Ca 0.09 0.51 -0.34 0.00 -1.93 0.00 0.00 57.85 56.18 2qal n ARG 11 Cb 0.50 -2.12 -0.10 0.00 -1.16 0.00 0.00 32.46 29.58 2qal n ARG 11 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qal s ALA 12 N -1.28 3.27 0.00 7.54 0.00 -1.26 -5.10 121.76 124.94 2qal s ALA 12 Ca 0.64 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2qal s ALA 12 Cb -0.54 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2qal s ALA 12 CO 0.56 0.27 0.00 0.54 0.00 0.00 0.00 175.76 177.13 2qal n ARG 13 N 3.27 2.97 -1.78 0.00 5.12 -1.26 -5.12 116.66 119.85 2qal n ARG 13 Ca -0.17 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.73 2qal n ARG 13 Cb 0.53 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.82 2qal n ARG 13 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2qal n LYS 14 N 0.00 0.15 -2.87 5.56 0.00 -1.26 -5.10 118.16 114.63 2qal n LYS 14 Ca 0.00 -0.44 -0.12 0.00 -0.00 0.00 0.00 58.31 57.75 2qal n LYS 14 Cb 0.00 0.46 0.03 0.00 -0.00 0.00 0.00 35.03 35.53 2qal n LYS 14 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2qal n VAL 15 N -0.10 0.22 -1.36 0.58 0.24 -1.26 -5.09 118.33 111.56 2qal n VAL 15 Ca -0.01 -3.04 -0.54 0.00 -2.04 0.00 0.00 64.34 58.72 2qal n VAL 15 Cb 0.10 0.56 -0.10 0.00 -1.47 0.00 0.00 33.84 32.93 2qal n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qal n ALA 16 N 0.06 0.63 -1.79 2.33 0.00 -1.26 -4.88 120.51 115.60 2qal n ALA 16 Ca 0.12 0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 2qal n ALA 16 Cb 0.74 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.82 2qal n ALA 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2qal s LYS 17 N 6.40 4.02 0.22 0.00 0.00 -1.26 -4.97 119.74 124.14 2qal s LYS 17 Ca 1.16 1.46 -0.32 0.00 0.00 0.00 0.00 55.97 58.27 2qal s LYS 17 Cb -1.16 -2.37 -0.12 0.00 0.00 0.00 0.00 37.83 34.18 2qal s LYS 17 CO 0.56 -0.26 1.67 0.45 0.00 0.00 0.00 175.35 177.77 2qal n SER 18 N -0.42 3.82 0.01 0.03 2.88 -1.26 -4.83 113.62 113.84 2qal n SER 18 Ca 0.07 1.08 0.07 0.00 -1.33 0.00 0.00 58.87 58.75 2qal n SER 18 Cb 0.51 -1.55 0.29 0.00 -0.75 0.00 0.00 64.21 62.71 2qal n SER 18 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2qal n ASN 19 N 3.52 0.04 -3.45 -3.46 4.05 -1.26 -4.27 115.26 110.44 2qal n ASN 19 Ca 0.15 0.51 -0.21 0.00 0.45 0.00 0.00 54.58 55.48 2qal n ASN 19 Cb 0.34 -0.52 -0.11 0.00 1.23 0.00 0.00 39.78 40.72 2qal n ASN 19 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 2qal s VAL 20 N -3.02 -0.30 -0.97 3.44 -7.23 -1.26 -4.97 120.40 106.09 2qal s VAL 20 Ca 0.06 -0.54 -0.17 0.00 -1.81 0.00 0.00 61.98 59.52 2qal s VAL 20 Cb 0.09 -0.97 -0.10 0.00 0.56 0.00 0.00 36.38 35.96 2qal s VAL 20 CO 0.25 -0.53 2.06 -0.81 -0.31 0.00 0.00 175.10 175.76 2qal n PRO 21 N 5.29 1.97 -0.07 4.82 -0.04 -1.26 -4.57 135.00 141.15 2qal n PRO 21 Ca -0.03 -1.94 0.01 0.00 -0.04 0.00 0.00 63.50 61.50 2qal n PRO 21 Cb 0.45 -2.90 0.04 0.00 -0.04 0.00 0.00 33.50 31.05 2qal n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qal n ALA 22 N 6.45 2.55 -1.26 0.55 0.00 -1.26 -4.99 120.51 122.55 2qal n ALA 22 Ca 0.50 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.87 2qal n ALA 22 Cb 0.35 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 2qal n ALA 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qal n LEU 23 N -0.13 -0.86 -0.86 0.00 7.94 -1.26 -4.24 117.00 117.58 2qal n LEU 23 Ca 0.03 1.88 -0.02 0.00 -1.11 0.00 0.00 56.01 56.80 2qal n LEU 23 Cb 0.17 -2.71 -0.01 0.00 0.53 0.00 0.00 43.42 41.41 2qal n LEU 23 CO 0.03 -1.43 -0.02 -0.62 -1.11 0.00 0.00 177.39 174.24 2qal n GLU 24 N -3.77 -1.23 -3.87 1.96 1.02 -1.26 -0.86 120.64 112.63 2qal n GLU 24 Ca -0.06 0.12 -0.25 0.00 -0.02 0.00 0.00 57.16 56.94 2qal n GLU 24 Cb 0.49 -3.91 -0.00 0.00 -0.02 0.00 0.00 31.44 28.00 2qal n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qal n ALA 25 N -0.58 -2.08 -2.31 0.62 0.00 -1.26 -4.93 120.51 109.97 2qal n ALA 25 Ca -0.02 -0.25 -0.36 0.00 0.00 0.00 0.00 53.44 52.81 2qal n ALA 25 Cb 0.07 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 2qal n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qal h PRO 27 N 3.80 0.00 -1.86 0.00 0.13 -1.91 -3.46 132.00 128.70 2qal h PRO 27 Ca -0.49 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.77 2qal h PRO 27 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 2qal h PRO 27 CO 0.65 0.00 0.58 1.14 -0.23 0.00 0.00 178.00 180.14 2qal s GLN 28 N -3.53 0.64 0.09 0.86 0.00 -1.26 -4.69 119.66 111.76 2qal s GLN 28 Ca 0.02 -0.10 0.03 0.00 -0.00 0.00 0.00 55.36 55.31 2qal s GLN 28 Cb 0.09 0.30 -0.04 0.00 0.00 0.00 0.00 33.01 33.36 2qal s GLN 28 CO 0.46 -0.25 -0.08 0.15 0.00 0.00 0.00 175.29 175.57 2qal s LYS 29 N -2.23 0.79 -0.02 9.60 -0.14 -1.13 -4.93 119.74 121.70 2qal s LYS 29 Ca 0.03 -1.16 -0.02 0.00 -1.36 0.00 0.00 55.97 53.46 2qal s LYS 29 Cb -0.01 -0.38 -0.04 0.00 -1.68 0.00 0.00 37.83 35.72 2qal s LYS 29 CO -0.04 0.04 0.14 0.50 -0.76 0.00 0.00 175.35 175.23 2qal s ARG 30 N -2.96 3.30 0.04 1.68 3.52 -1.26 0.80 118.95 124.07 2qal s ARG 30 Ca 0.05 -0.37 -0.01 0.00 -0.13 0.00 0.00 55.73 55.28 2qal s ARG 30 Cb -0.01 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.33 2qal s ARG 30 CO -0.02 0.67 -0.03 0.20 -0.81 0.00 0.00 175.30 175.32 2qal s GLY 31 N -1.79 0.42 0.29 8.12 0.00 0.32 -0.31 107.32 114.37 2qal s GLY 31 Ca 0.25 -1.07 0.17 0.00 0.00 0.00 0.00 44.72 44.07 2qal s GLY 31 CO 0.16 -1.17 1.39 -2.08 0.00 0.00 0.00 173.10 171.39 2qal h VAL 32 N 3.50 0.57 -4.48 1.40 2.07 -1.48 -1.63 116.25 116.20 2qal h VAL 32 Ca -0.34 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.35 2qal h VAL 32 Cb 1.16 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 2qal h VAL 32 CO 0.60 0.32 -0.67 0.00 0.02 0.00 0.00 177.57 177.84 2qal h THR 34 N 2.08 0.00 -2.94 0.00 2.02 0.12 -3.38 112.91 110.82 2qal h THR 34 Ca 0.00 -0.02 -0.46 0.00 0.77 0.00 0.00 66.41 66.70 2qal h THR 34 Cb 0.03 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.30 2qal h THR 34 CO 0.07 0.00 -0.61 -0.60 0.37 0.00 0.00 175.52 174.75 2qal s ARG 35 N -2.91 1.62 -0.13 6.66 6.06 -0.98 -4.76 118.95 124.52 2qal s ARG 35 Ca -0.02 -1.89 -0.01 0.00 -2.50 0.00 0.00 55.73 51.31 2qal s ARG 35 Cb 0.00 -0.81 0.03 0.00 0.06 0.00 0.00 34.95 34.24 2qal s ARG 35 CO 0.06 -0.19 -0.04 0.14 -2.50 0.00 0.00 175.30 172.76 2qal s VAL 36 N -3.34 0.89 0.23 7.11 -7.23 -1.26 0.03 120.40 116.84 2qal s VAL 36 Ca 0.36 -0.36 0.03 0.00 -1.81 0.00 0.00 61.98 60.20 2qal s VAL 36 Cb 0.09 -1.04 0.03 0.00 0.56 0.00 0.00 36.38 36.01 2qal s VAL 36 CO 0.15 0.21 0.22 -1.22 -0.31 0.00 0.00 175.10 174.15 2qal n TYR 37 N 4.97 -1.58 -2.71 2.82 4.01 0.21 -4.95 117.16 119.92 2qal n TYR 37 Ca -0.11 -0.95 -0.04 0.00 -0.16 0.00 0.00 57.90 56.64 2qal n TYR 37 Cb 0.49 -0.20 0.09 0.00 -0.31 0.00 0.00 39.34 39.41 2qal n TYR 37 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2qal n THR 38 N -1.18 0.43 -0.67 -0.72 -2.24 -1.26 -2.63 114.28 106.00 2qal n THR 38 Ca 0.01 -1.86 -0.32 0.00 -2.27 0.00 0.00 64.05 59.61 2qal n THR 38 Cb 0.26 1.02 0.17 0.00 -2.10 0.00 0.00 70.33 69.68 2qal n THR 38 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qal n THR 39 N -0.87 0.00 -3.51 4.28 -2.24 -1.24 -4.63 114.28 106.07 2qal n THR 39 Ca -0.05 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 2qal n THR 39 Cb 0.85 -0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 68.28 2qal n THR 39 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2qal s THR 40 N -2.38 5.02 0.64 4.28 -4.23 -1.26 -3.33 115.64 114.38 2qal s THR 40 Ca 0.60 0.41 -0.11 0.00 -1.18 0.00 0.00 61.69 61.42 2qal s THR 40 Cb -0.19 -3.64 0.16 0.00 1.34 0.00 0.00 72.50 70.17 2qal s THR 40 CO 0.65 0.08 0.49 -0.81 -0.54 0.00 0.00 174.62 174.50 2qal n PRO 41 N 0.30 -2.55 0.00 3.99 -0.04 -1.26 -4.93 135.00 130.50 2qal n PRO 41 Ca -0.03 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 2qal n PRO 41 Cb 0.52 -0.85 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 2qal n PRO 41 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2qal n LYS 42 N -3.40 2.84 0.00 0.54 4.76 -0.36 -4.93 118.16 117.60 2qal n LYS 42 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2qal n LYS 42 Cb 0.29 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.48 2qal n LYS 42 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2qal n LYS 43 N 0.00 0.00 -0.21 1.97 2.85 -1.26 -4.35 118.16 117.16 2qal n LYS 43 Ca 0.00 0.49 -0.03 0.00 -1.05 0.00 0.00 58.31 57.72 2qal n LYS 43 Cb 0.00 -1.26 0.08 0.00 -0.65 0.00 0.00 35.03 33.20 2qal n LYS 43 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 2qal h PRO 44 N 0.00 0.59 -7.40 -1.58 0.13 -2.02 -3.44 132.00 118.28 2qal h PRO 44 Ca 0.00 -0.04 -0.46 0.00 -0.87 0.00 0.00 66.00 64.64 2qal h PRO 44 Cb 0.00 -0.13 0.11 0.00 0.13 0.00 0.00 31.00 31.10 2qal h PRO 44 CO 0.00 0.39 0.25 -0.80 -0.23 0.00 0.00 178.00 177.61 2qal s ASN 45 N -5.55 4.12 -0.29 1.44 0.02 -1.26 -5.11 114.94 108.30 2qal s ASN 45 Ca -0.13 0.13 -0.13 0.00 -1.02 0.00 0.00 52.86 51.71 2qal s ASN 45 Cb 0.15 -0.50 0.12 0.00 0.02 0.00 0.00 41.25 41.05 2qal s ASN 45 CO 0.75 -2.04 0.75 -0.55 0.02 0.00 0.00 177.10 176.03 2qal s SER 46 N -4.71 -0.93 0.00 -1.22 0.15 -1.26 -4.61 113.70 101.12 2qal s SER 46 Ca 0.67 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.67 2qal s SER 46 Cb -0.07 1.83 0.00 0.00 -1.71 0.00 0.00 66.02 66.07 2qal s SER 46 CO 0.47 -0.20 0.00 0.00 1.20 0.00 0.00 173.24 174.71 2qal n ALA 47 N 4.87 0.00 -2.77 5.45 0.00 -1.26 -5.00 120.51 121.79 2qal n ALA 47 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 2qal n ALA 47 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 2qal n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qal n LEU 48 N 0.00 3.44 -4.72 0.00 4.77 -1.26 -4.03 117.00 115.20 2qal n LEU 48 Ca 0.00 -5.06 -0.63 0.00 -0.03 0.00 0.00 56.01 50.29 2qal n LEU 48 Cb 0.00 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 2qal n LEU 48 CO 0.00 2.16 1.25 0.54 -1.33 0.00 0.00 177.39 180.01 2qal n ARG 49 N -0.21 0.49 -2.75 3.23 3.00 -1.21 -4.77 116.66 114.44 2qal n ARG 49 Ca 0.29 0.18 -0.43 0.00 -0.01 0.00 0.00 57.85 57.88 2qal n ARG 49 Cb 0.60 -1.76 -0.03 0.00 0.00 0.00 0.00 32.46 31.27 2qal n ARG 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2qal s LYS 50 N 3.37 3.55 0.52 5.56 1.02 -1.26 -3.60 119.74 128.90 2qal s LYS 50 Ca 1.03 0.22 0.04 0.00 0.02 0.00 0.00 55.97 57.28 2qal s LYS 50 Cb -1.32 -3.95 0.01 0.00 -0.52 0.00 0.00 37.83 32.06 2qal s LYS 50 CO 0.75 -1.34 0.25 0.08 -0.92 0.00 0.00 175.35 174.16 2qal s VAL 51 N 4.07 1.51 -0.26 3.17 1.01 -1.08 -1.83 120.40 126.99 2qal s VAL 51 Ca 0.40 -1.69 -0.24 0.00 0.00 0.00 0.00 61.98 60.45 2qal s VAL 51 Cb -0.09 -2.20 0.07 0.00 0.00 0.00 0.00 36.38 34.15 2qal s VAL 51 CO 0.27 0.00 0.68 0.00 0.00 0.00 0.00 175.10 176.05 2qal s ARG 53 N 0.36 3.74 0.08 0.00 3.52 0.10 -2.52 118.95 124.24 2qal s ARG 53 Ca -0.00 0.33 0.02 0.00 -0.13 0.00 0.00 55.73 55.95 2qal s ARG 53 Cb -0.05 -3.82 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 2qal s ARG 53 CO 0.01 -0.89 0.11 0.08 -0.81 0.00 0.00 175.30 173.80 2qal s VAL 54 N 3.18 4.72 -0.59 7.11 1.01 -0.32 0.15 120.40 135.66 2qal s VAL 54 Ca 0.32 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2qal s VAL 54 Cb -0.13 -3.28 0.15 0.00 0.00 0.00 0.00 36.38 33.12 2qal s VAL 54 CO 0.18 0.13 0.41 -0.60 0.00 0.00 0.00 175.10 175.21 2qal s ARG 55 N -2.42 2.50 0.95 2.72 3.52 -1.26 -1.67 118.95 123.30 2qal s ARG 55 Ca 0.31 -2.41 -0.12 0.00 -0.13 0.00 0.00 55.73 53.37 2qal s ARG 55 Cb -0.12 -3.73 0.06 0.00 -1.56 0.00 0.00 34.95 29.60 2qal s ARG 55 CO 0.23 -1.16 0.55 1.28 -0.81 0.00 0.00 175.30 175.39 2qal n LEU 56 N 3.69 0.45 -0.05 -0.88 4.77 -1.26 -1.32 117.00 122.40 2qal n LEU 56 Ca 0.06 0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 56.28 2qal n LEU 56 Cb 0.39 -1.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 2qal n LEU 56 CO 0.34 -3.33 0.95 0.71 -1.33 0.00 0.00 177.39 174.73 2qal h THR 57 N -1.65 1.02 0.00 -5.08 1.35 -1.05 -1.69 112.91 105.80 2qal h THR 57 Ca -0.44 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2qal h THR 57 Cb 1.28 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2qal h THR 57 CO 0.36 0.05 0.00 -0.46 -0.25 0.00 0.00 175.52 175.21 2qal n ASN 58 N -4.97 0.00 -1.24 5.36 0.23 -1.26 -4.86 115.26 108.51 2qal n ASN 58 Ca -0.03 -0.34 0.00 0.00 -0.53 0.00 0.00 54.58 53.69 2qal n ASN 58 Cb 0.05 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 2qal n ASN 58 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qal n GLY 59 N 0.07 0.83 2.39 4.83 0.00 -0.64 -5.06 105.19 107.62 2qal n GLY 59 Ca 0.11 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 2qal n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qal n PHE 60 N -1.21 0.88 -1.53 1.61 3.01 -1.25 -4.96 117.46 114.01 2qal n PHE 60 Ca 0.00 -3.73 -0.36 0.00 1.01 0.00 0.00 57.45 54.37 2qal n PHE 60 Cb 0.41 -0.28 -0.08 0.00 -0.01 0.00 0.00 39.48 39.52 2qal n PHE 60 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2qal n GLU 61 N 1.72 0.60 -2.11 -1.08 2.13 -1.26 -4.04 120.64 116.59 2qal n GLU 61 Ca 0.25 -0.06 -0.01 0.00 0.66 0.00 0.00 57.16 57.99 2qal n GLU 61 Cb 0.47 -2.68 -0.00 0.00 0.27 0.00 0.00 31.44 29.49 2qal n GLU 61 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2qal n VAL 62 N 7.77 0.00 -4.48 6.31 0.24 -0.67 -4.96 118.33 122.55 2qal n VAL 62 Ca 0.49 -0.10 -0.23 0.00 -2.04 0.00 0.00 64.34 62.46 2qal n VAL 62 Cb 0.34 0.02 -0.10 0.00 -1.47 0.00 0.00 33.84 32.63 2qal n VAL 62 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2qal s THR 63 N -1.08 1.92 -0.29 3.34 -4.23 -1.26 -1.18 115.64 112.86 2qal s THR 63 Ca 0.00 -2.17 -0.15 0.00 -1.18 0.00 0.00 61.69 58.19 2qal s THR 63 Cb 0.00 -2.52 0.12 0.00 1.34 0.00 0.00 72.50 71.44 2qal s THR 63 CO 0.00 -0.27 0.85 -0.94 -0.54 0.00 0.00 174.62 173.72 2qal s SER 64 N -3.51 -0.72 0.71 3.99 1.04 -1.05 -3.85 113.70 110.31 2qal s SER 64 Ca 0.31 1.12 -0.14 0.00 0.48 0.00 0.00 55.95 57.72 2qal s SER 64 Cb 0.03 1.41 0.03 0.00 0.10 0.00 0.00 66.02 67.59 2qal s SER 64 CO 0.14 -0.17 1.13 -0.47 0.98 0.00 0.00 173.24 174.84 2qal s TYR 65 N 1.69 2.44 -0.61 5.02 5.04 -1.05 -2.88 117.35 127.01 2qal s TYR 65 Ca -0.08 1.58 -0.00 0.00 -2.44 0.00 0.00 57.07 56.12 2qal s TYR 65 Cb -0.05 -3.22 0.15 0.00 0.35 0.00 0.00 41.96 39.20 2qal s TYR 65 CO -0.17 -1.95 0.40 0.42 -1.34 0.00 0.00 175.55 172.91 2qal s ILE 66 N -2.39 3.34 1.25 3.14 1.09 -0.76 -1.67 121.20 125.21 2qal s ILE 66 Ca 0.67 -3.17 -0.17 0.00 -1.10 0.00 0.00 60.65 56.88 2qal s ILE 66 Cb -0.22 -3.21 0.28 0.00 -1.06 0.00 0.00 42.46 38.25 2qal s ILE 66 CO 0.46 -0.87 0.73 0.61 -0.10 0.00 0.00 174.94 175.77 2qal n GLY 67 N 3.25 -2.74 0.72 6.18 0.00 -1.26 -4.82 105.19 106.52 2qal n GLY 67 Ca 0.08 -1.24 0.05 0.00 0.00 0.00 0.00 46.02 44.91 2qal n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qal n GLY 68 N 1.59 -3.17 3.66 -0.02 0.00 -1.26 -4.81 105.19 101.19 2qal n GLY 68 Ca 0.05 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 2qal n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qal s GLU 69 N -4.07 4.27 0.17 1.61 2.02 -1.26 -4.79 118.70 116.65 2qal s GLU 69 Ca 0.00 1.33 0.00 0.00 0.02 0.00 0.00 54.97 56.32 2qal s GLU 69 Cb 0.00 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.60 2qal s GLU 69 CO 0.00 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.11 2qal n GLY 70 N 3.33 -3.85 0.00 -1.39 0.00 -1.26 -4.72 105.19 97.31 2qal n GLY 70 Ca 0.11 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2qal n GLY 70 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qal n HIS 71 N -0.44 0.00 -1.79 1.61 1.44 -1.26 -4.71 115.22 110.07 2qal n HIS 71 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2qal n HIS 71 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2qal n HIS 71 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2qal n ASN 72 N 0.00 0.00 -4.73 4.39 6.94 -1.26 -5.03 115.26 115.57 2qal n ASN 72 Ca 0.00 -0.89 -0.42 0.00 -0.02 0.00 0.00 54.58 53.25 2qal n ASN 72 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 2qal n ASN 72 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qal s LEU 73 N 0.00 4.38 0.00 -4.53 1.43 -1.26 -4.97 118.68 113.73 2qal s LEU 73 Ca 0.00 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.59 2qal s LEU 73 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 2qal s LEU 73 CO 0.00 -0.67 0.00 0.00 0.23 0.00 0.00 176.35 175.91 2qal n GLN 74 N 3.23 0.00 0.00 1.70 6.02 -1.26 -4.97 117.38 122.10 2qal n GLN 74 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 2qal n GLN 74 Cb 0.41 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.67 2qal n GLN 74 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2qal n GLU 75 N 0.00 0.00 -1.39 -1.09 4.07 -1.26 -4.51 120.64 116.46 2qal n GLU 75 Ca 0.00 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.71 2qal n GLU 75 Cb 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 2qal n GLU 75 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2qal n HIS 76 N 0.00 2.67 -3.43 4.31 8.25 -1.26 -4.52 115.22 121.24 2qal n HIS 76 Ca 0.00 -2.82 -0.44 0.00 -0.26 0.00 0.00 57.72 54.21 2qal n HIS 76 Cb 0.00 -2.36 -0.08 0.00 1.12 0.00 0.00 29.99 28.67 2qal n HIS 76 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2qal s SER 77 N 2.93 6.05 0.09 0.41 0.01 -1.03 -5.00 113.70 117.16 2qal s SER 77 Ca 0.57 -1.37 -0.31 0.00 1.31 0.00 0.00 55.95 56.15 2qal s SER 77 Cb 0.15 -2.15 -0.09 0.00 0.21 0.00 0.00 66.02 64.14 2qal s SER 77 CO -0.05 -0.63 1.74 -0.69 0.41 0.00 0.00 173.24 174.02 2qal s VAL 78 N 1.60 2.81 0.21 3.43 1.01 -1.26 -4.12 120.40 124.08 2qal s VAL 78 Ca 0.04 0.28 -0.00 0.00 0.00 0.00 0.00 61.98 62.29 2qal s VAL 78 Cb -0.24 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2qal s VAL 78 CO 0.06 -0.00 0.12 0.27 0.00 0.00 0.00 175.10 175.54 2qal s ILE 79 N 2.73 0.15 0.02 2.22 -4.36 -0.61 -1.13 121.20 120.21 2qal s ILE 79 Ca 0.77 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 59.21 2qal s ILE 79 Cb -0.43 -2.52 -0.03 0.00 1.25 0.00 0.00 42.46 40.73 2qal s ILE 79 CO 0.34 -0.02 -0.10 -0.22 0.24 0.00 0.00 174.94 175.18 2qal s LEU 80 N -3.19 3.01 -0.05 0.37 2.96 -1.26 -0.52 118.68 120.00 2qal s LEU 80 Ca 0.38 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 54.02 2qal s LEU 80 Cb 0.07 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 2qal s LEU 80 CO 0.12 0.26 0.10 -0.63 -1.32 0.00 0.00 176.35 174.89 2qal s ILE 81 N -1.00 4.99 -0.18 6.68 -1.09 0.24 -0.42 121.20 130.42 2qal s ILE 81 Ca 0.17 -0.18 -0.02 0.00 -2.23 0.00 0.00 60.65 58.39 2qal s ILE 81 Cb -0.11 -3.24 -0.11 0.00 -1.58 0.00 0.00 42.46 37.43 2qal s ILE 81 CO 0.08 0.46 -0.19 -1.14 -1.23 0.00 0.00 174.94 172.92 2qal n ARG 82 N 1.50 0.44 -0.46 2.79 0.63 0.40 -2.82 116.66 119.14 2qal n ARG 82 Ca -0.15 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 2qal n ARG 82 Cb 0.53 -1.31 0.00 0.00 0.45 0.00 0.00 32.46 32.13 2qal n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qal n GLY 83 N 2.39 -0.91 3.19 5.14 0.00 -1.23 -4.72 105.19 109.04 2qal n GLY 83 Ca -0.34 -0.58 0.01 0.00 0.00 0.00 0.00 46.02 45.11 2qal n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qal s GLY 84 N -0.03 -1.25 0.72 -0.02 0.00 -0.98 -4.71 107.32 101.05 2qal s GLY 84 Ca 0.00 0.42 -0.17 0.00 0.00 0.00 0.00 44.72 44.97 2qal s GLY 84 CO 0.00 3.66 0.10 -0.96 0.00 0.00 0.00 173.10 175.90 2qal n ARG 85 N 4.68 0.15 -4.06 2.90 1.85 -0.90 -4.23 116.66 117.04 2qal n ARG 85 Ca 0.09 0.07 -0.29 0.00 -1.00 0.00 0.00 57.85 56.73 2qal n ARG 85 Cb 0.56 -1.45 -0.17 0.00 -1.05 0.00 0.00 32.46 30.36 2qal n ARG 85 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2qal s VAL 86 N -1.96 1.36 0.07 8.89 1.01 -0.80 -4.93 120.40 124.04 2qal s VAL 86 Ca 0.58 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.79 2qal s VAL 86 Cb -0.36 -1.30 -0.16 0.00 0.00 0.00 0.00 36.38 34.56 2qal s VAL 86 CO 0.65 0.42 1.65 0.50 0.00 0.00 0.00 175.10 178.33 2qal h LYS 87 N 7.96 -0.21 0.00 2.72 3.64 -1.94 -2.50 116.57 126.24 2qal h LYS 87 Ca -0.34 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2qal h LYS 87 Cb 1.14 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2qal h LYS 87 CO 0.48 -0.10 0.00 -0.25 -2.27 0.00 0.00 179.45 177.32 2qal n ASP 88 N -5.16 0.00 -3.77 4.20 10.43 -1.26 -4.22 116.55 116.78 2qal n ASP 88 Ca -0.09 -0.14 -0.30 0.00 2.57 0.00 0.00 54.79 56.84 2qal n ASP 88 Cb 0.13 -0.14 -0.14 0.00 1.84 0.00 0.00 41.12 42.81 2qal n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2qal s LEU 89 N -2.28 2.77 0.44 0.64 2.01 -0.94 -1.22 118.68 120.09 2qal s LEU 89 Ca 0.15 -2.08 -0.24 0.00 0.01 0.00 0.00 54.13 51.96 2qal s LEU 89 Cb 0.08 -1.04 -0.08 0.00 0.01 0.00 0.00 46.19 45.16 2qal s LEU 89 CO 0.16 -0.35 1.19 -2.16 1.01 0.00 0.00 176.35 176.20 2qal s PRO 90 N 1.04 3.85 0.00 1.29 0.04 -1.26 -2.62 135.00 137.34 2qal s PRO 90 Ca 0.13 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2qal s PRO 90 Cb -0.20 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2qal s PRO 90 CO -0.13 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 176.81 2qal n GLY 91 N 0.55 3.14 3.44 0.56 0.00 -1.26 -4.97 105.19 106.65 2qal n GLY 91 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 2qal n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qal s VAL 92 N -1.65 4.80 -0.20 1.61 1.01 -1.08 -4.51 120.40 120.38 2qal s VAL 92 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2qal s VAL 92 Cb 0.00 -4.37 0.04 0.00 0.00 0.00 0.00 36.38 32.05 2qal s VAL 92 CO 0.00 -0.92 0.82 0.54 0.00 0.00 0.00 175.10 175.55 2qal n ARG 93 N 6.37 1.27 -4.34 2.72 3.00 -1.26 -1.91 116.66 122.51 2qal n ARG 93 Ca -0.06 -1.15 -0.18 0.00 -0.01 0.00 0.00 57.85 56.45 2qal n ARG 93 Cb 0.45 -1.04 -0.10 0.00 0.00 0.00 0.00 32.46 31.76 2qal n ARG 93 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2qal s TYR 94 N -0.62 1.63 -0.07 -1.55 2.02 -1.25 -2.12 117.35 115.40 2qal s TYR 94 Ca 0.03 -0.74 0.02 0.00 -0.37 0.00 0.00 57.07 56.02 2qal s TYR 94 Cb 0.02 -0.87 0.01 0.00 -0.40 0.00 0.00 41.96 40.72 2qal s TYR 94 CO 0.03 0.17 -0.12 -1.01 -1.57 0.00 0.00 175.55 173.05 2qal s HIS 95 N -3.18 1.47 -0.12 2.71 3.76 -1.26 -2.52 115.29 116.14 2qal s HIS 95 Ca 0.25 -0.55 -0.29 0.00 -0.15 0.00 0.00 55.06 54.31 2qal s HIS 95 Cb 0.03 -1.08 -0.03 0.00 1.11 0.00 0.00 32.58 32.60 2qal s HIS 95 CO 0.07 -0.29 1.40 0.95 -0.85 0.00 0.00 174.74 176.02 2qal s THR 96 N 0.72 4.02 -0.02 1.30 -4.23 -0.67 0.15 115.64 116.92 2qal s THR 96 Ca -0.13 1.24 -0.30 0.00 -1.18 0.00 0.00 61.69 61.32 2qal s THR 96 Cb -0.16 -3.80 -0.07 0.00 1.34 0.00 0.00 72.50 69.82 2qal s THR 96 CO 0.03 -0.11 1.74 -0.69 -0.54 0.00 0.00 174.62 175.05 2qal s VAL 97 N 3.65 3.39 0.23 2.29 1.01 0.45 -4.66 120.40 126.76 2qal s VAL 97 Ca 0.61 0.51 -0.24 0.00 0.00 0.00 0.00 61.98 62.87 2qal s VAL 97 Cb -0.26 -3.33 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 2qal s VAL 97 CO 0.20 -0.04 0.80 -0.13 0.00 0.00 0.00 175.10 175.93 2qal s ARG 98 N 4.05 4.47 0.00 2.72 0.52 -1.26 -3.79 118.95 125.65 2qal s ARG 98 Ca 0.77 1.10 0.00 0.00 -0.52 0.00 0.00 55.73 57.09 2qal s ARG 98 Cb -0.36 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.09 2qal s ARG 98 CO 0.33 0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.50 2qal n GLY 99 N 1.02 2.31 3.95 -3.53 0.00 0.38 -3.22 105.19 106.10 2qal n GLY 99 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 2qal n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qal s ALA 100 N -2.27 3.85 0.00 4.61 0.00 -1.19 -4.86 121.76 121.90 2qal s ALA 100 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2qal s ALA 100 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.22 2qal s ALA 100 CO 0.00 0.27 0.00 1.28 0.00 0.00 0.00 175.76 177.31 2qal n LEU 101 N -1.18 0.00 0.30 0.00 4.77 -1.26 -1.60 117.00 118.03 2qal n LEU 101 Ca -0.07 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.11 2qal n LEU 101 Cb 0.55 0.00 1.00 0.00 -2.33 0.00 0.00 43.42 42.65 2qal n LEU 101 CO 0.47 0.00 1.09 0.44 -1.33 0.00 0.00 177.39 178.06 2qal h ASP 102 N 1.50 0.00 -3.14 -1.43 3.45 -1.49 -3.42 116.42 111.89 2qal h ASP 102 Ca 0.00 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 56.91 2qal h ASP 102 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 2qal h ASP 102 CO 0.00 0.00 0.64 0.00 -1.57 0.00 0.00 179.24 178.31 2qal n SER 104 N 4.77 0.00 -4.13 0.00 3.41 -1.26 -3.19 113.62 113.22 2qal n SER 104 Ca 0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.61 2qal n SER 104 Cb 0.47 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.31 2qal n SER 104 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2qal s GLY 105 N -0.84 0.64 -0.02 5.00 0.00 -1.26 0.14 107.32 110.98 2qal s GLY 105 Ca 0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 44.72 43.22 2qal s GLY 105 CO 0.00 -1.31 1.89 0.14 0.00 0.00 0.00 173.10 173.82 2qal s VAL 106 N -3.32 3.21 0.50 1.40 1.01 -1.05 -4.96 120.40 117.18 2qal s VAL 106 Ca 0.07 0.25 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 2qal s VAL 106 Cb 0.03 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2qal s VAL 106 CO -0.05 -0.03 0.86 -1.59 0.00 0.00 0.00 175.10 174.29 2qal s LYS 107 N 4.52 3.66 0.00 2.72 0.00 -1.26 -3.78 119.74 125.60 2qal s LYS 107 Ca 0.84 0.48 0.00 0.00 0.00 0.00 0.00 55.97 57.30 2qal s LYS 107 Cb -0.38 -2.28 0.00 0.00 0.00 0.00 0.00 37.83 35.17 2qal s LYS 107 CO 0.37 -0.26 0.00 -0.25 0.00 0.00 0.00 175.35 175.21 2qal n ASP 108 N -2.06 -2.21 -4.77 0.03 9.92 -1.26 -4.95 116.55 111.25 2qal n ASP 108 Ca 0.03 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.91 2qal n ASP 108 Cb 0.54 -2.10 -0.03 0.00 -0.64 0.00 0.00 41.12 38.89 2qal n ASP 108 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2qal s ARG 109 N -1.00 4.19 0.10 -1.24 6.06 -1.25 -4.94 118.95 120.87 2qal s ARG 109 Ca 0.00 1.73 0.00 0.00 -2.50 0.00 0.00 55.73 54.96 2qal s ARG 109 Cb 0.00 -2.72 0.00 0.00 0.06 0.00 0.00 34.95 32.29 2qal s ARG 109 CO 0.00 -0.17 0.00 1.63 -2.50 0.00 0.00 175.30 174.26 2qal n LYS 110 N 0.22 0.00 -2.34 5.12 4.76 -1.26 -4.96 118.16 119.70 2qal n LYS 110 Ca 0.04 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.07 2qal n LYS 110 Cb 0.47 -0.08 -0.03 0.00 -1.84 0.00 0.00 35.03 33.54 2qal n LYS 110 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2qal s GLN 111 N -1.43 4.51 -0.78 1.97 -0.21 -1.26 -3.76 119.66 118.70 2qal s GLN 111 Ca 0.00 1.94 -0.01 0.00 0.02 0.00 0.00 55.36 57.31 2qal s GLN 111 Cb 0.00 -3.18 -0.01 0.00 1.00 0.00 0.00 33.01 30.83 2qal s GLN 111 CO 0.00 -0.01 0.71 0.00 -2.12 0.00 0.00 175.29 173.87 2qal n ALA 112 N 1.64 -2.53 0.07 6.09 0.00 -1.26 -4.95 120.51 119.56 2qal n ALA 112 Ca 0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 2qal n ALA 112 Cb 0.44 -1.79 -0.15 0.00 0.00 0.00 0.00 19.45 17.95 2qal n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qal h ARG 113 N 0.22 0.31 -0.56 0.00 3.08 -1.89 -3.36 114.38 112.17 2qal h ARG 113 Ca -0.13 -0.53 0.08 0.00 0.07 0.00 0.00 59.98 59.48 2qal h ARG 113 Cb 1.07 0.20 -0.10 0.00 0.08 0.00 0.00 29.97 31.22 2qal h ARG 113 CO 0.32 1.19 -0.44 0.77 -1.07 0.00 0.00 179.97 180.74 2qal h SER 114 N 0.08 -1.51 -4.06 7.04 0.02 -1.93 -2.65 113.55 110.54 2qal h SER 114 Ca -0.28 0.24 -0.51 0.00 -0.84 0.00 0.00 61.79 60.41 2qal h SER 114 Cb 2.05 0.68 0.08 0.00 0.14 0.00 0.00 62.40 65.35 2qal h SER 114 CO 0.17 -0.34 0.46 -0.54 -1.14 0.00 0.00 176.83 175.44 2qal s LYS 115 N -5.83 3.44 -0.20 3.45 1.02 -1.26 -2.12 119.74 118.24 2qal s LYS 115 Ca -0.14 1.70 0.00 0.00 0.02 0.00 0.00 55.97 57.55 2qal s LYS 115 Cb 0.13 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 2qal s LYS 115 CO 0.66 -0.80 0.00 0.66 -0.92 0.00 0.00 175.35 174.95 2qal n TYR 116 N -1.07 0.00 -2.48 3.18 4.02 -1.26 -4.51 117.16 115.04 2qal n TYR 116 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 2qal n TYR 116 Cb 0.50 -1.00 0.00 0.00 -0.02 0.00 0.00 39.34 38.82 2qal n TYR 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qal n GLY 117 N -1.55 0.00 2.99 2.72 0.00 -0.90 -2.54 105.19 105.91 2qal n GLY 117 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2qal n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qal s VAL 118 N -0.08 -0.49 0.91 1.61 1.01 -1.00 -4.29 120.40 118.07 2qal s VAL 118 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 2qal s VAL 118 Cb 0.00 -0.60 0.14 0.00 0.00 0.00 0.00 36.38 35.91 2qal s VAL 118 CO 0.00 0.00 1.11 -0.54 0.00 0.00 0.00 175.10 175.67 2qal s LYS 119 N 2.47 1.13 0.30 2.72 -0.14 -1.26 -4.62 119.74 120.34 2qal s LYS 119 Ca 0.04 1.25 -0.29 0.00 -1.36 0.00 0.00 55.97 55.61 2qal s LYS 119 Cb -0.13 -1.76 -0.13 0.00 -1.68 0.00 0.00 37.83 34.13 2qal s LYS 119 CO -0.11 -2.46 1.37 -2.13 -0.76 0.00 0.00 175.35 171.25 2qal n ARG 120 N -4.09 2.17 0.28 1.68 0.63 -1.26 -4.93 116.66 111.14 2qal n ARG 120 Ca 0.09 0.76 -0.16 0.00 -0.92 0.00 0.00 57.85 57.63 2qal n ARG 120 Cb 0.53 -2.40 -0.08 0.00 0.45 0.00 0.00 32.46 30.96 2qal n ARG 120 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 2qal h PRO 121 N 3.36 -0.87 0.00 -0.14 0.13 -1.93 -3.48 132.00 129.08 2qal h PRO 121 Ca -0.46 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2qal h PRO 121 Cb 1.27 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.60 2qal h PRO 121 CO 0.69 -0.58 0.00 0.36 -0.23 0.00 0.00 178.00 178.24 2qal n LYS 122 N -5.01 0.00 0.00 0.86 2.85 -1.26 -5.26 118.16 110.35 2qal n LYS 122 Ca -0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 2qal n LYS 122 Cb 0.40 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.78 2qal n LYS 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35