#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p s THR 2 N 0.00 5.39 0.14 0.00 2.01 -1.26 -5.01 115.64 116.91 2i2p s THR 2 Ca 0.00 0.33 -0.31 0.00 0.31 0.00 0.00 61.69 62.01 2i2p s THR 2 Cb 0.00 -3.49 -0.08 0.00 0.01 0.00 0.00 72.50 68.94 2i2p s THR 2 CO 0.00 0.52 1.55 -0.37 -0.69 0.00 0.00 174.62 175.63 2i2p h VAL 3 N 4.29 0.01 -0.67 3.82 -1.51 -2.06 0.20 116.25 120.33 2i2p h VAL 3 Ca -0.48 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.01 2i2p h VAL 3 Cb 1.19 0.01 -0.03 0.00 -2.13 0.00 0.00 31.29 30.33 2i2p h VAL 3 CO 0.67 0.00 0.44 0.78 -1.23 0.00 0.00 177.57 178.23 2i2p h ASN 4 N -0.27 0.73 0.00 4.19 4.21 -1.99 0.14 115.58 122.59 2i2p h ASN 4 Ca 0.11 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.61 2i2p h ASN 4 Cb 0.55 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 2i2p h ASN 4 CO -0.70 0.52 0.09 1.56 -1.29 0.00 0.00 177.43 177.61 2i2p h GLN 5 N 0.86 0.00 0.03 0.81 1.08 -1.03 -1.53 115.11 115.33 2i2p h GLN 5 Ca 0.25 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 57.09 2i2p h GLN 5 Cb -0.03 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.36 2i2p h GLN 5 CO -0.06 0.00 -2.09 1.28 -0.95 0.00 0.00 178.83 177.01 2i2p n LEU 6 N -2.78 2.36 -0.26 1.46 4.77 0.40 -4.08 117.00 118.87 2i2p n LEU 6 Ca -0.02 0.21 0.33 0.00 -0.03 0.00 0.00 56.01 56.49 2i2p n LEU 6 Cb 0.15 -0.95 0.66 0.00 -2.33 0.00 0.00 43.42 40.94 2i2p n LEU 6 CO 0.15 0.66 1.30 0.58 -1.33 0.00 0.00 177.39 178.76 2i2p h VAL 7 N -0.49 0.20 0.00 4.08 2.07 -0.23 0.61 116.25 122.50 2i2p h VAL 7 Ca -0.52 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2i2p h VAL 7 Cb 1.72 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2i2p h VAL 7 CO -0.16 0.00 -0.05 0.08 0.02 0.00 0.00 177.57 177.45 2i2p h ARG 8 N 0.00 0.03 -2.00 1.57 0.11 -1.68 -3.43 114.38 108.98 2i2p h ARG 8 Ca 0.52 -0.04 -0.45 0.00 0.10 0.00 0.00 59.98 60.11 2i2p h ARG 8 Cb 2.47 0.01 -0.32 0.00 1.11 0.00 0.00 29.97 33.24 2i2p h ARG 8 CO -0.01 0.90 -0.81 -1.59 0.10 0.00 0.00 179.97 178.57 2i2p s LYS 9 N -2.73 0.86 0.68 0.08 0.00 0.18 -5.14 119.74 113.67 2i2p s LYS 9 Ca -0.18 -1.57 -0.17 0.00 0.00 0.00 0.00 55.97 54.05 2i2p s LYS 9 Cb -0.02 -0.97 -0.05 0.00 0.00 0.00 0.00 37.83 36.79 2i2p s LYS 9 CO 0.70 -1.32 0.53 -2.30 0.00 0.00 0.00 175.35 172.95 2i2p n PRO 10 N 3.24 0.37 -0.83 1.78 -0.02 0.64 -4.74 135.00 135.44 2i2p n PRO 10 Ca 0.22 0.16 -0.34 0.00 -2.02 0.00 0.00 63.50 61.53 2i2p n PRO 10 Cb 0.48 -1.80 0.11 0.00 -0.02 0.00 0.00 33.50 32.27 2i2p n PRO 10 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2i2p n ARG 11 N -0.55 -0.36 -3.84 -0.52 5.12 -1.26 -5.02 116.66 110.23 2i2p n ARG 11 Ca 0.10 -0.08 -0.12 0.00 -1.93 0.00 0.00 57.85 55.83 2i2p n ARG 11 Cb 0.49 -1.62 -0.09 0.00 -1.16 0.00 0.00 32.46 30.07 2i2p n ARG 11 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2i2p s ALA 12 N -2.28 -0.44 0.27 7.54 0.00 -1.26 -5.15 121.76 120.43 2i2p s ALA 12 Ca 0.52 -0.03 -0.26 0.00 0.00 0.00 0.00 51.96 52.20 2i2p s ALA 12 Cb -0.18 0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.96 2i2p s ALA 12 CO 0.71 -0.23 0.89 1.03 0.00 0.00 0.00 175.76 178.16 2i2p s ARG 13 N -1.43 4.59 -0.69 0.00 0.52 -1.26 -5.00 118.95 115.68 2i2p s ARG 13 Ca -0.14 1.27 -0.24 0.00 -0.52 0.00 0.00 55.73 56.10 2i2p s ARG 13 Cb -0.07 -2.99 0.06 0.00 0.52 0.00 0.00 34.95 32.48 2i2p s ARG 13 CO 0.02 0.39 1.05 0.21 0.02 0.00 0.00 175.30 177.00 2i2p s LYS 14 N -1.72 3.15 -0.52 3.54 2.20 -1.26 -4.96 119.74 120.17 2i2p s LYS 14 Ca 0.45 -0.72 -0.38 0.00 -0.36 0.00 0.00 55.97 54.96 2i2p s LYS 14 Cb -0.21 -4.25 -0.16 0.00 -1.51 0.00 0.00 37.83 31.70 2i2p s LYS 14 CO 0.26 -1.90 2.26 0.28 -0.36 0.00 0.00 175.35 175.88 2i2p n VAL 15 N 6.04 0.06 -2.19 4.02 0.31 -1.26 -4.86 118.33 120.45 2i2p n VAL 15 Ca -0.01 -0.13 -0.41 0.00 -0.01 0.00 0.00 64.34 63.78 2i2p n VAL 15 Cb 0.46 -0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 32.37 2i2p n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i2p s ALA 16 N 7.20 3.52 -0.26 3.52 0.00 -1.26 -4.98 121.76 129.50 2i2p s ALA 16 Ca 1.18 1.16 -0.26 0.00 0.00 0.00 0.00 51.96 54.03 2i2p s ALA 16 Cb -1.18 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 18.47 2i2p s ALA 16 CO 0.56 -0.55 0.92 -1.59 0.00 0.00 0.00 175.76 175.10 2i2p s LYS 17 N -0.78 4.15 -0.46 0.00 -2.85 -1.26 -4.97 119.74 113.57 2i2p s LYS 17 Ca 0.53 1.03 -0.27 0.00 -1.00 0.00 0.00 55.97 56.27 2i2p s LYS 17 Cb -0.38 -3.67 -0.04 0.00 -2.06 0.00 0.00 37.83 31.68 2i2p s LYS 17 CO 0.43 -0.64 2.08 0.45 0.10 0.00 0.00 175.35 177.78 2i2p s SER 18 N 1.39 5.14 0.00 0.03 0.15 -1.26 -4.78 113.70 114.37 2i2p s SER 18 Ca 0.39 1.01 0.00 0.00 0.70 0.00 0.00 55.95 58.05 2i2p s SER 18 Cb -0.15 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2i2p s SER 18 CO 0.09 -2.35 0.12 -0.46 1.20 0.00 0.00 173.24 171.83 2i2p n ASN 19 N 13.16 0.06 -3.43 5.45 0.23 -1.26 -3.68 115.26 125.80 2i2p n ASN 19 Ca 0.28 -0.29 -0.28 0.00 -0.53 0.00 0.00 54.58 53.76 2i2p n ASN 19 Cb 0.51 -0.03 -0.11 0.00 -2.08 0.00 0.00 39.78 38.07 2i2p n ASN 19 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2i2p s VAL 20 N -1.60 0.20 0.01 3.53 1.01 -1.26 -4.99 120.40 117.30 2i2p s VAL 20 Ca 0.00 -2.07 -0.25 0.00 0.00 0.00 0.00 61.98 59.66 2i2p s VAL 20 Cb 0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 36.38 35.05 2i2p s VAL 20 CO 0.00 -1.08 1.27 1.55 0.00 0.00 0.00 175.10 176.84 2i2p h PRO 21 N 6.44 -0.28 -2.30 2.72 0.13 -1.98 -3.20 132.00 133.53 2i2p h PRO 21 Ca 0.15 0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.24 2i2p h PRO 21 Cb 0.95 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 2i2p h PRO 21 CO 0.30 0.05 0.03 0.00 -0.23 0.00 0.00 178.00 178.16 2i2p n ALA 22 N -2.42 3.33 -0.00 -0.56 0.00 -1.26 -3.73 120.51 115.88 2i2p n ALA 22 Ca -0.09 -0.56 -0.01 0.00 0.00 0.00 0.00 53.44 52.78 2i2p n ALA 22 Cb 0.24 -1.98 -0.00 0.00 0.00 0.00 0.00 19.45 17.71 2i2p n ALA 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2i2p n LEU 23 N 2.36 0.45 -3.72 0.00 -0.00 -1.21 -4.91 117.00 109.97 2i2p n LEU 23 Ca 0.13 0.07 -0.22 0.00 -0.00 0.00 0.00 56.01 55.99 2i2p n LEU 23 Cb 0.38 -0.31 0.03 0.00 -0.00 0.00 0.00 43.42 43.52 2i2p n LEU 23 CO 0.11 -0.51 -0.07 -0.62 -0.00 0.00 0.00 177.39 176.30 2i2p n GLU 24 N -2.93 -4.84 0.00 1.96 1.02 -1.24 -1.13 120.64 113.47 2i2p n GLU 24 Ca -0.02 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 2i2p n GLU 24 Cb 0.07 -5.15 0.00 0.00 -0.02 0.00 0.00 31.44 26.34 2i2p n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i2p n ALA 25 N -4.29 0.00 -2.16 0.62 0.00 -1.26 -4.91 120.51 108.51 2i2p n ALA 25 Ca -0.29 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.72 2i2p n ALA 25 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 2i2p n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2p n PRO 27 N 7.49 0.01 -3.65 0.00 -0.04 -1.26 -4.74 135.00 132.81 2i2p n PRO 27 Ca 0.18 0.40 -0.01 0.00 -0.04 0.00 0.00 63.50 64.02 2i2p n PRO 27 Cb 0.45 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 2i2p n PRO 27 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2i2p s GLN 28 N -2.91 0.01 0.06 0.54 0.00 -1.26 -4.80 119.66 111.30 2i2p s GLN 28 Ca 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 55.36 55.39 2i2p s GLN 28 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 33.01 33.00 2i2p s GLN 28 CO 0.07 -0.00 -0.05 0.15 0.00 0.00 0.00 175.29 175.46 2i2p s LYS 29 N -1.38 0.60 0.00 9.60 -0.14 -1.20 -4.98 119.74 122.24 2i2p s LYS 29 Ca 0.11 -1.07 0.00 0.00 -1.36 0.00 0.00 55.97 53.64 2i2p s LYS 29 Cb -0.01 0.01 0.00 0.00 -1.68 0.00 0.00 37.83 36.15 2i2p s LYS 29 CO -0.06 -0.05 0.00 -2.13 -0.76 0.00 0.00 175.35 172.34 2i2p n ARG 30 N 0.53 -0.15 -0.36 1.68 0.63 -1.26 0.31 116.66 118.05 2i2p n ARG 30 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 2i2p n ARG 30 Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 2i2p n ARG 30 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2i2p n GLY 31 N 2.44 2.95 0.00 5.14 0.00 0.12 -4.05 105.19 111.80 2i2p n GLY 31 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2i2p n GLY 31 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2i2p n VAL 32 N 0.00 0.00 -2.12 1.61 0.31 -0.41 -4.46 118.33 113.26 2i2p n VAL 32 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2i2p n VAL 32 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2i2p n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i2p h THR 34 N 1.13 1.15 0.00 0.00 2.02 0.12 -3.39 112.91 113.95 2i2p h THR 34 Ca 0.00 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2i2p h THR 34 Cb 0.31 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2i2p h THR 34 CO 0.08 0.20 0.00 -1.14 0.37 0.00 0.00 175.52 175.02 2i2p n ARG 35 N -4.36 0.00 -5.09 6.66 3.00 -1.05 -4.98 116.66 110.84 2i2p n ARG 35 Ca 0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.58 2i2p n ARG 35 Cb 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.48 2i2p n ARG 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2i2p s VAL 36 N -2.00 1.74 0.00 5.15 -7.23 -1.26 -0.05 120.40 116.75 2i2p s VAL 36 Ca 0.00 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 2i2p s VAL 36 Cb 0.00 -1.44 0.00 0.00 0.56 0.00 0.00 36.38 35.50 2i2p s VAL 36 CO 0.00 0.49 0.00 -1.22 -0.31 0.00 0.00 175.10 174.06 2i2p n TYR 37 N 2.54 -0.05 -3.55 2.82 4.01 -0.84 -5.00 117.16 117.09 2i2p n TYR 37 Ca -0.15 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.29 2i2p n TYR 37 Cb 0.52 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.42 2i2p n TYR 37 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2i2p s THR 38 N -2.03 0.26 0.40 -0.72 2.01 -1.26 -2.22 115.64 112.07 2i2p s THR 38 Ca 0.00 -1.36 -0.03 0.00 0.31 0.00 0.00 61.69 60.61 2i2p s THR 38 Cb 0.00 -1.21 0.08 0.00 0.01 0.00 0.00 72.50 71.39 2i2p s THR 38 CO 0.00 -0.84 0.54 0.35 -0.69 0.00 0.00 174.62 173.98 2i2p n THR 39 N 4.59 0.00 -4.22 -0.82 -2.24 -0.99 -4.83 114.28 105.77 2i2p n THR 39 Ca 0.03 -0.68 -0.24 0.00 -2.27 0.00 0.00 64.05 60.89 2i2p n THR 39 Cb 0.39 -1.34 -0.07 0.00 -2.10 0.00 0.00 70.33 67.22 2i2p n THR 39 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2i2p s THR 40 N -1.72 3.82 0.00 4.28 -4.23 -1.26 -1.81 115.64 114.72 2i2p s THR 40 Ca 0.34 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 2i2p s THR 40 Cb -0.02 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.82 2i2p s THR 40 CO 0.23 -0.28 0.00 -0.81 -0.54 0.00 0.00 174.62 173.22 2i2p n PRO 41 N -0.72 -0.99 0.00 3.99 -0.04 -1.25 -4.78 135.00 131.21 2i2p n PRO 41 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2i2p n PRO 41 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2i2p n PRO 41 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2i2p n LYS 42 N -1.49 0.00 0.00 0.54 4.81 -0.70 -4.90 118.16 116.42 2i2p n LYS 42 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2i2p n LYS 42 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2i2p n LYS 42 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2i2p n LYS 43 N 0.00 0.00 0.26 1.64 5.02 -1.26 -4.79 118.16 119.04 2i2p n LYS 43 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 2i2p n LYS 43 Cb 0.00 -0.63 0.58 0.00 -0.02 0.00 0.00 35.03 34.96 2i2p n LYS 43 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2i2p h PRO 44 N 0.00 0.00 0.00 1.97 0.13 -2.02 -3.45 132.00 128.63 2i2p h PRO 44 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 2i2p h PRO 44 Cb 0.77 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 2i2p h PRO 44 CO 0.00 0.00 -0.17 0.09 -0.23 0.00 0.00 178.00 177.69 2i2p n ASN 45 N -3.06 2.27 0.00 1.44 3.02 -1.26 -5.15 115.26 112.52 2i2p n ASN 45 Ca 0.01 -2.53 0.00 0.00 -0.03 0.00 0.00 54.58 52.03 2i2p n ASN 45 Cb 0.35 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 2i2p n ASN 45 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2i2p n SER 46 N -2.06 0.00 -1.42 6.41 7.64 -1.26 -4.71 113.62 118.21 2i2p n SER 46 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2i2p n SER 46 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2i2p n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i2p n ALA 47 N -3.00 -2.06 -2.77 -0.43 0.00 -1.26 -4.41 120.51 106.58 2i2p n ALA 47 Ca 0.00 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 2i2p n ALA 47 Cb 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 2i2p n ALA 47 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2i2p s LEU 48 N -2.51 4.04 1.00 0.00 2.34 -1.26 -3.83 118.68 118.45 2i2p s LEU 48 Ca 0.00 -0.85 -0.13 0.00 0.06 0.00 0.00 54.13 53.21 2i2p s LEU 48 Cb 0.00 -2.46 0.19 0.00 -0.56 0.00 0.00 46.19 43.36 2i2p s LEU 48 CO 0.00 -1.55 1.12 -0.13 -1.06 0.00 0.00 176.35 174.72 2i2p s ARG 49 N 4.53 0.43 -0.18 1.48 3.00 -0.75 -4.80 118.95 122.66 2i2p s ARG 49 Ca 0.26 0.33 -0.05 0.00 0.00 0.00 0.00 55.73 56.27 2i2p s ARG 49 Cb -0.14 -1.75 -0.03 0.00 0.00 0.00 0.00 34.95 33.03 2i2p s ARG 49 CO 0.11 -2.69 -0.01 0.15 0.00 0.00 0.00 175.30 172.86 2i2p s LYS 50 N -5.15 3.68 0.35 3.54 3.01 -1.26 -2.33 119.74 121.58 2i2p s LYS 50 Ca 0.66 -0.50 0.03 0.00 -1.01 0.00 0.00 55.97 55.15 2i2p s LYS 50 Cb -0.16 -3.01 -0.04 0.00 -1.01 0.00 0.00 37.83 33.60 2i2p s LYS 50 CO 0.56 0.15 0.10 0.08 0.51 0.00 0.00 175.35 176.75 2i2p s VAL 51 N 0.62 0.77 -0.10 3.17 1.01 -0.94 -2.33 120.40 122.59 2i2p s VAL 51 Ca -0.01 -2.00 -0.28 0.00 0.00 0.00 0.00 61.98 59.69 2i2p s VAL 51 Cb -0.14 -2.55 0.07 0.00 0.00 0.00 0.00 36.38 33.75 2i2p s VAL 51 CO 0.02 0.00 0.65 0.00 0.00 0.00 0.00 175.10 175.77 2i2p s ARG 53 N -0.77 2.96 0.02 0.00 3.52 0.92 0.13 118.95 125.74 2i2p s ARG 53 Ca -0.08 -2.56 -0.13 0.00 -0.13 0.00 0.00 55.73 52.83 2i2p s ARG 53 Cb -0.02 -3.98 -0.06 0.00 -1.56 0.00 0.00 34.95 29.33 2i2p s ARG 53 CO 0.07 -1.22 0.39 0.08 -0.81 0.00 0.00 175.30 173.82 2i2p s VAL 54 N -0.07 5.07 -0.29 7.11 1.01 0.08 0.15 120.40 133.47 2i2p s VAL 54 Ca 0.18 0.67 -0.15 0.00 0.00 0.00 0.00 61.98 62.68 2i2p s VAL 54 Cb -0.16 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2i2p s VAL 54 CO -0.06 0.47 0.37 -0.60 0.00 0.00 0.00 175.10 175.29 2i2p s ARG 55 N -1.38 3.92 0.86 2.72 3.52 -1.26 -1.45 118.95 125.87 2i2p s ARG 55 Ca 0.27 -0.07 -0.11 0.00 -0.13 0.00 0.00 55.73 55.69 2i2p s ARG 55 Cb -0.15 -3.69 0.11 0.00 -1.56 0.00 0.00 34.95 29.65 2i2p s ARG 55 CO 0.15 -0.33 1.09 -0.51 -0.81 0.00 0.00 175.30 174.89 2i2p s LEU 56 N 2.06 2.46 0.50 -0.88 1.02 -1.26 -1.29 118.68 121.30 2i2p s LEU 56 Ca 0.14 1.53 0.19 0.00 0.02 0.00 0.00 54.13 56.01 2i2p s LEU 56 Cb -0.16 -4.03 1.28 0.00 0.02 0.00 0.00 46.19 43.30 2i2p s LEU 56 CO 0.10 -2.42 2.10 0.71 0.02 0.00 0.00 176.35 176.86 2i2p h THR 57 N -1.40 0.92 -0.45 5.49 1.35 -1.89 -1.82 112.91 115.12 2i2p h THR 57 Ca -0.48 -0.31 -0.09 0.00 -0.55 0.00 0.00 66.41 64.98 2i2p h THR 57 Cb 1.27 1.17 -0.06 0.00 -1.73 0.00 0.00 68.15 68.81 2i2p h THR 57 CO 0.55 0.08 0.12 -0.46 -0.25 0.00 0.00 175.52 175.56 2i2p n ASN 58 N -4.23 3.91 -0.13 5.36 2.04 -1.26 -4.87 115.26 116.07 2i2p n ASN 58 Ca -0.03 -2.72 -0.02 0.00 -0.44 0.00 0.00 54.58 51.37 2i2p n ASN 58 Cb 0.17 -0.65 -0.01 0.00 -2.53 0.00 0.00 39.78 36.76 2i2p n ASN 58 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2i2p n GLY 59 N 0.13 0.27 2.40 4.83 0.00 -0.68 -4.87 105.19 107.27 2i2p n GLY 59 Ca 0.24 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2i2p n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2i2p n PHE 60 N -2.26 2.01 -1.59 1.61 7.35 -1.26 -4.86 117.46 118.47 2i2p n PHE 60 Ca -0.02 -2.50 -0.57 0.00 -0.76 0.00 0.00 57.45 53.61 2i2p n PHE 60 Cb 0.40 -1.81 -0.07 0.00 0.35 0.00 0.00 39.48 38.35 2i2p n PHE 60 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2i2p n GLU 61 N 1.92 0.59 -4.15 -4.13 2.13 -1.26 -4.26 120.64 111.49 2i2p n GLU 61 Ca 0.60 0.21 -0.16 0.00 0.66 0.00 0.00 57.16 58.47 2i2p n GLU 61 Cb 0.40 -1.79 -0.05 0.00 0.27 0.00 0.00 31.44 30.26 2i2p n GLU 61 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2i2p s VAL 62 N 0.97 0.00 0.00 6.31 0.11 -0.53 -4.93 120.40 122.33 2i2p s VAL 62 Ca 0.91 -1.72 0.05 0.00 -2.93 0.00 0.00 61.98 58.30 2i2p s VAL 62 Cb -1.15 -2.61 -0.03 0.00 -1.53 0.00 0.00 36.38 31.06 2i2p s VAL 62 CO 0.57 0.00 -0.16 0.28 -3.33 0.00 0.00 175.10 172.46 2i2p s THR 63 N -3.13 2.92 0.27 5.04 -1.32 -1.26 -0.74 115.64 117.42 2i2p s THR 63 Ca 0.34 -0.97 0.04 0.00 -1.21 0.00 0.00 61.69 59.88 2i2p s THR 63 Cb 0.00 -2.19 -0.06 0.00 -1.51 0.00 0.00 72.50 68.75 2i2p s THR 63 CO 0.23 0.45 0.02 -0.55 -2.21 0.00 0.00 174.62 172.56 2i2p s SER 64 N -1.12 1.98 0.32 8.08 0.15 0.34 -3.95 113.70 119.50 2i2p s SER 64 Ca 0.13 -1.28 0.06 0.00 0.70 0.00 0.00 55.95 55.56 2i2p s SER 64 Cb -0.11 -0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 2i2p s SER 64 CO 0.03 -0.55 0.46 -0.47 1.20 0.00 0.00 173.24 173.91 2i2p s TYR 65 N -3.39 3.17 -0.64 3.44 5.04 -0.81 -0.06 117.35 124.09 2i2p s TYR 65 Ca 0.32 -0.18 0.05 0.00 -2.44 0.00 0.00 57.07 54.82 2i2p s TYR 65 Cb 0.07 -1.94 0.18 0.00 0.35 0.00 0.00 41.96 40.61 2i2p s TYR 65 CO 0.12 0.05 0.49 -0.89 -1.34 0.00 0.00 175.55 173.97 2i2p n ILE 66 N -1.62 1.09 -0.59 3.14 5.41 -0.98 -1.72 119.36 124.10 2i2p n ILE 66 Ca -0.01 -4.60 -0.30 0.00 1.00 0.00 0.00 62.75 58.84 2i2p n ILE 66 Cb 0.58 -2.07 0.21 0.00 -0.71 0.00 0.00 39.64 37.64 2i2p n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2i2p n GLY 67 N 2.03 -1.53 0.00 7.39 0.00 -1.26 -4.81 105.19 107.02 2i2p n GLY 67 Ca 0.23 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2i2p n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2p n GLY 68 N 0.92 -2.34 3.69 -0.02 0.00 -1.26 -4.88 105.19 101.30 2i2p n GLY 68 Ca 0.06 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 2i2p n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i2p s GLU 69 N -2.87 4.45 0.32 1.61 2.02 -1.26 -4.87 118.70 118.11 2i2p s GLU 69 Ca 0.00 1.38 0.00 0.00 0.02 0.00 0.00 54.97 56.37 2i2p s GLU 69 Cb 0.00 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.71 2i2p s GLU 69 CO 0.00 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.45 2i2p n GLY 70 N 3.05 -2.68 3.63 -1.39 0.00 -1.26 -4.48 105.19 102.07 2i2p n GLY 70 Ca 0.08 -1.24 -0.05 0.00 0.00 0.00 0.00 46.02 44.80 2i2p n GLY 70 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2i2p s HIS 71 N -3.19 -0.19 -2.15 1.61 -3.43 -1.26 -4.91 115.29 101.77 2i2p s HIS 71 Ca 0.00 0.41 0.27 0.00 -0.80 0.00 0.00 55.06 54.94 2i2p s HIS 71 Cb 0.00 0.46 0.85 0.00 -1.43 0.00 0.00 32.58 32.46 2i2p s HIS 71 CO 0.00 -0.13 1.63 -1.71 -2.00 0.00 0.00 174.74 172.53 2i2p n ASN 72 N 1.23 1.33 -4.46 7.38 4.05 -1.26 -4.93 115.26 118.60 2i2p n ASN 72 Ca -0.08 -1.22 -0.58 0.00 0.45 0.00 0.00 54.58 53.15 2i2p n ASN 72 Cb 0.57 0.08 -0.09 0.00 1.23 0.00 0.00 39.78 41.57 2i2p n ASN 72 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2i2p n LEU 73 N -0.19 1.50 0.00 1.20 4.77 -1.26 -4.90 117.00 118.12 2i2p n LEU 73 Ca 0.15 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 56.89 2i2p n LEU 73 Cb 0.36 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 2i2p n LEU 73 CO 0.21 -0.71 0.00 1.67 -1.33 0.00 0.00 177.39 177.24 2i2p n GLN 74 N 6.79 0.00 0.00 3.23 0.00 -1.26 -5.01 117.38 121.13 2i2p n GLN 74 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.42 2i2p n GLN 74 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.30 2i2p n GLN 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2i2p n GLU 75 N 0.00 0.00 0.00 3.69 -0.58 -1.26 -4.49 120.64 118.00 2i2p n GLU 75 Ca 0.00 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.82 2i2p n GLU 75 Cb 0.00 0.00 0.40 0.00 -0.57 0.00 0.00 31.44 31.27 2i2p n GLU 75 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2i2p n HIS 76 N -2.29 0.00 -1.65 -0.32 8.25 -1.26 -4.45 115.22 113.50 2i2p n HIS 76 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 2i2p n HIS 76 Cb 0.00 -0.24 -0.04 0.00 1.12 0.00 0.00 29.99 30.83 2i2p n HIS 76 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2i2p n SER 77 N -1.24 3.78 -4.82 0.41 3.41 -1.26 -4.81 113.62 109.09 2i2p n SER 77 Ca 0.08 0.77 -0.33 0.00 -0.26 0.00 0.00 58.87 59.13 2i2p n SER 77 Cb 0.11 -1.49 -0.07 0.00 -0.26 0.00 0.00 64.21 62.51 2i2p n SER 77 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2i2p s VAL 78 N 5.21 4.33 0.21 -3.33 1.01 -1.26 -4.25 120.40 122.32 2i2p s VAL 78 Ca 0.93 1.49 -0.05 0.00 0.00 0.00 0.00 61.98 64.35 2i2p s VAL 78 Cb -0.49 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2i2p s VAL 78 CO 0.43 -0.28 0.24 0.27 0.00 0.00 0.00 175.10 175.76 2i2p s ILE 79 N -2.13 0.01 -0.33 2.22 -5.25 -1.26 -3.14 121.20 111.33 2i2p s ILE 79 Ca 0.62 -1.78 -0.07 0.00 -0.99 0.00 0.00 60.65 58.42 2i2p s ILE 79 Cb -0.10 -2.35 0.03 0.00 2.95 0.00 0.00 42.46 42.99 2i2p s ILE 79 CO 0.14 -0.04 0.10 -0.22 -1.79 0.00 0.00 174.94 173.13 2i2p s LEU 80 N -3.10 4.18 0.33 0.37 2.96 -1.26 0.16 118.68 122.31 2i2p s LEU 80 Ca 0.32 -1.00 -0.29 0.00 -0.22 0.00 0.00 54.13 52.94 2i2p s LEU 80 Cb 0.05 -1.88 -0.11 0.00 0.50 0.00 0.00 46.19 44.75 2i2p s LEU 80 CO 0.10 -0.29 1.43 -0.51 -1.32 0.00 0.00 176.35 175.76 2i2p s ILE 81 N 1.44 2.40 -0.20 6.68 2.07 0.15 -2.28 121.20 131.46 2i2p s ILE 81 Ca -0.00 0.38 -0.17 0.00 -1.41 0.00 0.00 60.65 59.45 2i2p s ILE 81 Cb -0.19 -3.24 -0.07 0.00 0.13 0.00 0.00 42.46 39.09 2i2p s ILE 81 CO 0.03 0.08 -0.34 -1.14 -1.91 0.00 0.00 174.94 171.66 2i2p n ARG 82 N 1.16 0.53 0.00 3.50 0.63 0.26 -3.25 116.66 119.48 2i2p n ARG 82 Ca 0.03 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 2i2p n ARG 82 Cb 0.40 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.89 2i2p n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2i2p n GLY 83 N 1.47 0.57 1.59 5.14 0.00 -1.19 -4.62 105.19 108.14 2i2p n GLY 83 Ca -0.23 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.78 2i2p n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2p n GLY 84 N 0.00 -4.83 0.00 -0.02 0.00 -1.14 0.43 105.19 99.63 2i2p n GLY 84 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2i2p n GLY 84 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2i2p n ARG 85 N 0.76 0.90 -3.66 1.61 1.85 -1.21 -2.31 116.66 114.61 2i2p n ARG 85 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 2i2p n ARG 85 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 2i2p n ARG 85 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2i2p n VAL 86 N -0.98 0.00 -0.01 8.89 0.31 -1.03 -4.86 118.33 120.66 2i2p n VAL 86 Ca 0.00 -1.80 -0.03 0.00 -0.01 0.00 0.00 64.34 62.50 2i2p n VAL 86 Cb 0.00 0.91 -0.01 0.00 -0.91 0.00 0.00 33.84 33.83 2i2p n VAL 86 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2i2p n LYS 87 N -0.47 0.18 0.31 5.55 3.00 -1.26 -4.66 118.16 120.81 2i2p n LYS 87 Ca 0.06 0.07 0.18 0.00 -0.00 0.00 0.00 58.31 58.61 2i2p n LYS 87 Cb 0.45 -0.75 1.02 0.00 0.00 0.00 0.00 35.03 35.75 2i2p n LYS 87 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2i2p h ASP 88 N -0.34 0.00 -3.37 3.14 3.45 -1.96 -3.38 116.42 113.97 2i2p h ASP 88 Ca 0.00 0.00 -0.73 0.00 0.43 0.00 0.00 57.03 56.73 2i2p h ASP 88 Cb 0.34 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 38.88 2i2p h ASP 88 CO 0.00 0.00 -0.37 -0.76 -1.57 0.00 0.00 179.24 176.54 2i2p s LEU 89 N -7.18 5.45 0.21 1.55 2.01 -1.26 -1.73 118.68 117.73 2i2p s LEU 89 Ca -0.05 -1.25 -0.30 0.00 0.01 0.00 0.00 54.13 52.54 2i2p s LEU 89 Cb 0.14 -2.16 -0.09 0.00 0.01 0.00 0.00 46.19 44.10 2i2p s LEU 89 CO 0.50 -0.59 1.21 -2.16 1.01 0.00 0.00 176.35 176.32 2i2p s PRO 90 N 1.63 4.49 0.00 1.29 0.04 -1.26 -3.57 135.00 137.61 2i2p s PRO 90 Ca 0.04 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2i2p s PRO 90 Cb -0.23 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2i2p s PRO 90 CO 0.07 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.45 2i2p n GLY 91 N 1.96 1.76 3.54 0.56 0.00 -1.26 -4.93 105.19 106.82 2i2p n GLY 91 Ca 0.03 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 2i2p n GLY 91 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2i2p n VAL 92 N 0.00 -0.03 -0.49 1.61 0.31 -1.23 -4.71 118.33 113.79 2i2p n VAL 92 Ca 0.00 -0.53 0.08 0.00 -0.01 0.00 0.00 64.34 63.88 2i2p n VAL 92 Cb 0.00 -1.74 0.25 0.00 -0.91 0.00 0.00 33.84 31.45 2i2p n VAL 92 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2i2p n ARG 93 N 8.34 3.13 -4.01 5.55 5.12 -1.26 -2.45 116.66 131.08 2i2p n ARG 93 Ca 0.50 -2.53 -0.08 0.00 -1.93 0.00 0.00 57.85 53.81 2i2p n ARG 93 Cb 0.36 -1.60 -0.10 0.00 -1.16 0.00 0.00 32.46 29.96 2i2p n ARG 93 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2i2p s TYR 94 N -1.60 0.34 0.06 -1.55 2.02 -0.98 -2.89 117.35 112.76 2i2p s TYR 94 Ca 0.38 -0.73 0.06 0.00 -0.37 0.00 0.00 57.07 56.41 2i2p s TYR 94 Cb 0.24 -0.25 -0.03 0.00 -0.40 0.00 0.00 41.96 41.52 2i2p s TYR 94 CO 0.19 -0.32 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.12 2i2p s HIS 95 N -2.77 1.33 -0.21 2.71 5.65 0.17 -1.93 115.29 120.25 2i2p s HIS 95 Ca -0.04 -0.41 -0.21 0.00 0.25 0.00 0.00 55.06 54.65 2i2p s HIS 95 Cb -0.00 -0.76 -0.02 0.00 -1.18 0.00 0.00 32.58 30.61 2i2p s HIS 95 CO -0.06 0.07 0.66 0.95 -0.65 0.00 0.00 174.74 175.71 2i2p s THR 96 N -1.09 4.99 -0.17 0.89 -4.23 -0.70 0.93 115.64 116.26 2i2p s THR 96 Ca 0.01 1.24 -0.29 0.00 -1.18 0.00 0.00 61.69 61.46 2i2p s THR 96 Cb -0.09 -3.97 -0.03 0.00 1.34 0.00 0.00 72.50 69.75 2i2p s THR 96 CO 0.02 0.08 1.59 -0.69 -0.54 0.00 0.00 174.62 175.08 2i2p s VAL 97 N 2.09 3.73 0.66 2.29 1.01 -0.97 -4.70 120.40 124.50 2i2p s VAL 97 Ca 0.29 0.85 -0.11 0.00 0.00 0.00 0.00 61.98 63.01 2i2p s VAL 97 Cb -0.16 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2i2p s VAL 97 CO 0.10 -0.22 1.05 -0.13 0.00 0.00 0.00 175.10 175.89 2i2p s ARG 98 N 4.40 3.24 -1.09 2.72 0.52 -1.23 -4.14 118.95 123.37 2i2p s ARG 98 Ca 0.70 0.89 -0.00 0.00 -0.52 0.00 0.00 55.73 56.79 2i2p s ARG 98 Cb -0.27 -2.03 -0.00 0.00 0.52 0.00 0.00 34.95 33.17 2i2p s ARG 98 CO 0.28 -0.86 0.91 0.41 0.02 0.00 0.00 175.30 176.06 2i2p n GLY 99 N -2.23 -0.34 3.63 -3.53 0.00 -0.80 -4.37 105.19 97.56 2i2p n GLY 99 Ca 0.07 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 2i2p n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2p s ALA 100 N -3.33 -1.86 0.00 4.61 0.00 -0.62 -4.86 121.76 115.70 2i2p s ALA 100 Ca 0.03 2.08 0.00 0.00 0.00 0.00 0.00 51.96 54.06 2i2p s ALA 100 Cb -0.00 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2i2p s ALA 100 CO 0.67 -0.33 0.00 1.28 0.00 0.00 0.00 175.76 177.38 2i2p n LEU 101 N 2.92 0.00 -0.04 0.00 4.32 -1.26 -2.65 117.00 120.29 2i2p n LEU 101 Ca -0.15 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.79 2i2p n LEU 101 Cb 0.56 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.32 2i2p n LEU 101 CO 0.02 0.00 -0.76 0.47 -1.22 0.00 0.00 177.39 175.90 2i2p n ASP 102 N 5.98 3.36 -4.70 -1.43 9.92 -1.19 -5.00 116.55 123.49 2i2p n ASP 102 Ca 0.00 -0.04 -0.42 0.00 -0.53 0.00 0.00 54.79 53.80 2i2p n ASP 102 Cb 0.00 0.04 -0.03 0.00 -0.64 0.00 0.00 41.12 40.49 2i2p n ASP 102 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2i2p s SER 104 N 1.56 6.53 0.95 0.00 1.04 -1.26 -1.59 113.70 120.93 2i2p s SER 104 Ca 0.67 0.99 -0.14 0.00 0.48 0.00 0.00 55.95 57.96 2i2p s SER 104 Cb -0.37 -2.26 0.16 0.00 0.10 0.00 0.00 66.02 63.65 2i2p s SER 104 CO 0.30 -0.29 1.16 -0.83 0.98 0.00 0.00 173.24 174.56 2i2p s GLY 105 N -3.01 1.60 1.06 7.32 0.00 -1.24 -3.72 107.32 109.34 2i2p s GLY 105 Ca 0.49 -0.67 -0.16 0.00 0.00 0.00 0.00 44.72 44.37 2i2p s GLY 105 CO 0.29 -0.05 0.15 3.33 0.00 0.00 0.00 173.10 176.82 2i2p n VAL 106 N -3.87 0.00 -4.83 1.40 0.24 -1.11 -4.75 118.33 105.41 2i2p n VAL 106 Ca 0.09 -0.26 -0.33 0.00 -2.04 0.00 0.00 64.34 61.80 2i2p n VAL 106 Cb 0.59 -0.61 -0.15 0.00 -1.47 0.00 0.00 33.84 32.21 2i2p n VAL 106 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2i2p s LYS 107 N -3.51 3.34 -1.43 7.34 3.01 -1.26 -4.66 119.74 122.57 2i2p s LYS 107 Ca 0.56 -0.71 -0.10 0.00 -1.01 0.00 0.00 55.97 54.71 2i2p s LYS 107 Cb -0.15 -2.59 0.03 0.00 -1.01 0.00 0.00 37.83 34.11 2i2p s LYS 107 CO 0.67 0.20 1.07 -0.25 0.51 0.00 0.00 175.35 177.55 2i2p n ASP 108 N 3.54 -5.91 -4.31 2.83 9.92 -1.26 -4.95 116.55 116.41 2i2p n ASP 108 Ca -0.18 -0.58 -0.46 0.00 -0.53 0.00 0.00 54.79 53.04 2i2p n ASP 108 Cb 0.53 -4.68 -0.04 0.00 -0.64 0.00 0.00 41.12 36.29 2i2p n ASP 108 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2i2p s ARG 109 N -6.34 3.14 -0.73 -1.24 1.81 -1.26 -4.94 118.95 109.38 2i2p s ARG 109 Ca 0.58 -1.94 -0.03 0.00 -1.72 0.00 0.00 55.73 52.62 2i2p s ARG 109 Cb -0.27 -4.31 0.24 0.00 -0.45 0.00 0.00 34.95 30.16 2i2p s ARG 109 CO 0.72 -1.31 2.29 1.63 -0.68 0.00 0.00 175.30 177.95 2i2p n LYS 110 N 4.84 2.79 -3.41 3.54 5.02 -1.26 -4.61 118.16 125.06 2i2p n LYS 110 Ca -0.05 -3.16 0.02 0.00 -2.02 0.00 0.00 58.31 53.09 2i2p n LYS 110 Cb 0.42 -2.24 -0.05 0.00 -0.02 0.00 0.00 35.03 33.14 2i2p n LYS 110 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2i2p s GLN 111 N -3.21 0.19 -1.27 1.97 0.74 -1.26 -4.96 119.66 111.87 2i2p s GLN 111 Ca 0.54 0.42 -0.06 0.00 0.05 0.00 0.00 55.36 56.31 2i2p s GLN 111 Cb 0.40 0.20 0.01 0.00 1.10 0.00 0.00 33.01 34.72 2i2p s GLN 111 CO -0.33 -0.06 1.09 0.00 -0.55 0.00 0.00 175.29 175.45 2i2p n ALA 112 N 4.35 -1.46 0.29 1.58 0.00 -1.26 -4.88 120.51 119.14 2i2p n ALA 112 Ca -0.11 0.27 0.18 0.00 0.00 0.00 0.00 53.44 53.78 2i2p n ALA 112 Cb 0.55 -4.51 0.92 0.00 0.00 0.00 0.00 19.45 16.41 2i2p n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2p h ARG 113 N -2.40 0.00 -0.72 0.00 3.08 -1.88 -2.79 114.38 109.67 2i2p h ARG 113 Ca -0.55 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.59 2i2p h ARG 113 Cb 1.35 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.32 2i2p h ARG 113 CO 0.52 0.00 0.36 0.77 -1.07 0.00 0.00 179.97 180.55 2i2p h SER 114 N 0.00 0.46 -3.80 7.04 0.02 -1.89 -3.29 113.55 112.08 2i2p h SER 114 Ca 0.00 0.06 -0.43 0.00 -0.84 0.00 0.00 61.79 60.58 2i2p h SER 114 Cb 0.11 -0.01 0.17 0.00 0.14 0.00 0.00 62.40 62.81 2i2p h SER 114 CO 0.00 0.26 0.24 -0.54 -1.14 0.00 0.00 176.83 175.64 2i2p s LYS 115 N -6.05 -0.19 4.36 3.45 3.01 -1.05 -4.61 119.74 118.65 2i2p s LYS 115 Ca -0.13 -0.02 0.00 0.00 -1.01 0.00 0.00 55.97 54.82 2i2p s LYS 115 Cb 0.18 -1.71 0.00 0.00 -1.01 0.00 0.00 37.83 35.29 2i2p s LYS 115 CO 0.76 -3.04 0.00 0.66 0.51 0.00 0.00 175.35 174.25 2i2p n TYR 116 N -4.29 0.00 0.00 3.18 4.01 -1.26 -4.45 117.16 114.34 2i2p n TYR 116 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 2i2p n TYR 116 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 2i2p n TYR 116 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2i2p n GLY 117 N 0.00 -0.86 3.02 2.72 0.00 -1.26 -3.27 105.19 105.54 2i2p n GLY 117 Ca 0.00 0.88 -0.03 0.00 0.00 0.00 0.00 46.02 46.87 2i2p n GLY 117 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2i2p s VAL 118 N 0.00 -0.80 -0.91 1.61 -7.23 -1.24 -2.76 120.40 109.07 2i2p s VAL 118 Ca 0.00 -0.16 -0.25 0.00 -1.81 0.00 0.00 61.98 59.77 2i2p s VAL 118 Cb 0.00 -0.99 0.04 0.00 0.56 0.00 0.00 36.38 35.99 2i2p s VAL 118 CO 0.00 -0.15 1.39 -1.59 -0.31 0.00 0.00 175.10 174.44 2i2p s LYS 119 N 2.67 3.43 0.49 4.82 -2.85 -1.26 -4.78 119.74 122.26 2i2p s LYS 119 Ca 0.10 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 2i2p s LYS 119 Cb -0.12 -4.91 0.00 0.00 -2.06 0.00 0.00 37.83 30.75 2i2p s LYS 119 CO -0.28 -2.20 0.00 0.54 0.10 0.00 0.00 175.35 173.51 2i2p n ARG 120 N 9.08 -4.17 0.07 1.78 1.74 -1.26 -4.87 116.66 119.03 2i2p n ARG 120 Ca 0.22 3.12 -0.03 0.00 -0.77 0.00 0.00 57.85 60.39 2i2p n ARG 120 Cb 0.50 -3.64 -0.01 0.00 -1.02 0.00 0.00 32.46 28.29 2i2p n ARG 120 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2i2p h PRO 121 N 1.48 -0.18 0.00 5.56 0.13 -1.94 -3.46 132.00 133.59 2i2p h PRO 121 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2i2p h PRO 121 Cb 0.12 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.29 2i2p h PRO 121 CO 0.00 -0.12 0.00 0.36 -0.23 0.00 0.00 178.00 178.01 2i2p n LYS 122 N -2.59 0.00 -0.49 0.86 2.85 -1.26 -5.16 118.16 112.38 2i2p n LYS 122 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 2i2p n LYS 122 Cb 0.07 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.45 2i2p n LYS 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35