#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eef s SER 2 N 0.00 2.05 0.51 1.61 1.04 -1.26 -5.12 113.70 112.54 2eef s SER 2 Ca 0.00 -1.46 -0.18 0.00 0.48 0.00 0.00 55.95 54.79 2eef s SER 2 Cb 0.00 0.15 -0.15 0.00 0.10 0.00 0.00 66.02 66.12 2eef s SER 2 CO 0.00 -0.74 -0.13 -1.54 0.98 0.00 0.00 173.24 171.81 2eef n SER 3 N -0.78 -3.69 0.00 7.02 3.41 -1.26 -4.98 113.62 113.35 2eef n SER 3 Ca -0.02 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 2eef n SER 3 Cb 0.66 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2eef n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eef n GLY 4 N 2.52 2.89 3.64 5.00 0.00 -1.26 -5.18 105.19 112.81 2eef n GLY 4 Ca 0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 2eef n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eef s SER 5 N 1.00 -0.24 -0.50 1.61 0.15 -1.26 -4.90 113.70 109.56 2eef s SER 5 Ca 0.00 0.45 0.04 0.00 0.70 0.00 0.00 55.95 57.13 2eef s SER 5 Cb 0.00 0.62 0.16 0.00 -1.71 0.00 0.00 66.02 65.09 2eef s SER 5 CO 0.00 -0.08 0.36 -0.44 1.20 0.00 0.00 173.24 174.28 2eef s SER 6 N 0.40 3.01 -0.77 5.45 0.01 -1.26 -4.94 113.70 115.60 2eef s SER 6 Ca 0.02 -3.15 -0.01 0.00 1.31 0.00 0.00 55.95 54.12 2eef s SER 6 Cb -0.04 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.27 2eef s SER 6 CO -0.12 -0.17 0.65 0.61 0.41 0.00 0.00 173.24 174.62 2eef n GLY 7 N 2.81 -1.26 3.40 3.44 0.00 -1.26 -4.92 105.19 107.41 2eef n GLY 7 Ca 0.21 0.56 -0.44 0.00 0.00 0.00 0.00 46.02 46.35 2eef n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eef s ALA 8 N -2.97 3.45 -0.29 4.61 0.00 -1.26 -5.03 121.76 120.28 2eef s ALA 8 Ca 0.01 -2.04 -0.04 0.00 0.00 0.00 0.00 51.96 49.89 2eef s ALA 8 Cb -0.00 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.79 2eef s ALA 8 CO 0.82 -2.07 0.02 -1.21 0.00 0.00 0.00 175.76 173.33 2eef s GLU 9 N 2.38 2.84 0.17 0.00 2.02 -1.26 -4.98 118.70 119.88 2eef s GLU 9 Ca 0.11 -1.00 -0.02 0.00 0.02 0.00 0.00 54.97 54.08 2eef s GLU 9 Cb -0.23 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 2eef s GLU 9 CO 0.08 -0.48 0.12 -1.12 0.02 0.00 0.00 175.26 173.88 2eef s SER 10 N 1.39 0.20 0.94 -0.19 0.01 -1.26 -5.10 113.70 109.68 2eef s SER 10 Ca 0.00 -1.28 -0.11 0.00 1.31 0.00 0.00 55.95 55.87 2eef s SER 10 Cb -0.18 0.36 0.10 0.00 0.21 0.00 0.00 66.02 66.52 2eef s SER 10 CO -0.00 -0.81 0.83 -0.62 0.41 0.00 0.00 173.24 173.05 2eef n GLU 11 N -0.20 -0.42 -2.33 12.44 -0.58 -1.26 -4.98 120.64 123.32 2eef n GLU 11 Ca -0.01 -0.07 -0.28 0.00 -0.42 0.00 0.00 57.16 56.38 2eef n GLU 11 Cb 0.65 -2.16 0.02 0.00 -0.57 0.00 0.00 31.44 29.38 2eef n GLU 11 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2eef s SER 12 N -2.37 5.83 0.40 1.62 1.04 -1.26 -4.97 113.70 113.99 2eef s SER 12 Ca 0.63 0.92 0.06 0.00 0.48 0.00 0.00 55.95 58.04 2eef s SER 12 Cb -0.22 -1.98 -0.08 0.00 0.10 0.00 0.00 66.02 63.84 2eef s SER 12 CO 0.62 -0.95 0.02 -0.36 0.98 0.00 0.00 173.24 173.55 2eef s PHE 13 N -3.00 2.44 0.37 5.02 0.40 -1.26 -1.56 117.98 120.39 2eef s PHE 13 Ca 0.53 -0.71 0.06 0.00 -0.60 0.00 0.00 56.93 56.21 2eef s PHE 13 Cb -0.11 -1.72 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 2eef s PHE 13 CO 0.47 0.39 0.23 0.14 0.70 0.00 0.00 175.22 177.16 2eef s VAL 14 N -2.78 0.19 -0.20 -0.44 -7.23 0.33 -4.56 120.40 105.71 2eef s VAL 14 Ca 0.34 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.42 2eef s VAL 14 Cb 0.10 -2.42 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 2eef s VAL 14 CO 0.17 0.00 0.11 -0.76 -0.31 0.00 0.00 175.10 174.31 2eef s LEU 15 N -3.48 4.00 -0.15 1.32 1.43 -1.26 -2.86 118.68 117.68 2eef s LEU 15 Ca 0.34 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 2eef s LEU 15 Cb 0.02 -2.04 0.26 0.00 0.03 0.00 0.00 46.19 44.46 2eef s LEU 15 CO 0.23 0.14 1.27 -0.67 0.23 0.00 0.00 176.35 177.56 2eef n ASP 16 N 3.76 3.18 -3.65 2.29 -0.08 -1.00 -4.82 116.55 116.24 2eef n ASP 16 Ca -0.16 -2.55 -0.15 0.00 -1.51 0.00 0.00 54.79 50.42 2eef n ASP 16 Cb 0.52 -0.62 -0.08 0.00 2.34 0.00 0.00 41.12 43.29 2eef n ASP 16 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2eef s PHE 17 N -1.30 -0.43 0.26 -0.67 -0.71 -1.26 -4.86 117.98 109.01 2eef s PHE 17 Ca 0.21 0.76 -0.30 0.00 -1.04 0.00 0.00 56.93 56.56 2eef s PHE 17 Cb 0.17 0.24 -0.09 0.00 -1.21 0.00 0.00 43.02 42.13 2eef s PHE 17 CO 0.04 -0.47 1.01 -1.54 -1.34 0.00 0.00 175.22 172.92 2eef s SER 18 N -1.09 7.48 0.30 1.98 1.04 -1.26 -4.98 113.70 117.17 2eef s SER 18 Ca -0.11 2.08 -0.28 0.00 0.48 0.00 0.00 55.95 58.12 2eef s SER 18 Cb -0.03 -2.62 -0.14 0.00 0.10 0.00 0.00 66.02 63.34 2eef s SER 18 CO 0.06 0.03 1.08 0.00 0.98 0.00 0.00 173.24 175.39 2eef n GLN 19 N 1.35 1.51 -0.04 4.02 1.13 -1.26 -4.92 117.38 119.18 2eef n GLN 19 Ca -0.02 0.53 -0.13 0.00 -1.94 0.00 0.00 57.00 55.45 2eef n GLN 19 Cb 0.46 -1.95 -0.08 0.00 0.11 0.00 0.00 30.24 28.78 2eef n GLN 19 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2eef h PRO 20 N 2.18 0.20 -1.05 -1.09 0.13 -1.81 -3.18 132.00 127.38 2eef h PRO 20 Ca -0.41 -0.10 0.33 0.00 -0.87 0.00 0.00 66.00 64.94 2eef h PRO 20 Cb 1.33 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.32 2eef h PRO 20 CO 0.61 0.63 0.62 0.66 -0.23 0.00 0.00 178.00 180.29 2eef h SER 21 N -0.22 0.49 -0.70 1.44 4.64 -1.73 -0.40 113.55 117.06 2eef h SER 21 Ca 0.01 0.17 0.24 0.00 -0.47 0.00 0.00 61.79 61.75 2eef h SER 21 Cb 0.59 0.12 -0.13 0.00 -0.31 0.00 0.00 62.40 62.67 2eef h SER 21 CO 0.02 -0.10 0.20 0.00 -0.87 0.00 0.00 176.83 176.08 2eef n ALA 22 N -2.34 0.54 -3.45 5.18 0.00 -1.20 -2.64 120.51 116.59 2eef n ALA 22 Ca 0.32 0.73 -0.43 0.00 0.00 0.00 0.00 53.44 54.05 2eef n ALA 22 Cb 1.02 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 2eef n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2eef s ASP 23 N -4.83 6.12 0.15 0.00 1.11 -0.16 -4.94 116.67 114.11 2eef s ASP 23 Ca -0.08 -2.37 -0.22 0.00 0.18 0.00 0.00 52.55 50.06 2eef s ASP 23 Cb 0.22 -2.10 0.02 0.00 1.07 0.00 0.00 42.92 42.14 2eef s ASP 23 CO 0.54 -0.62 1.64 0.22 1.18 0.00 0.00 175.17 178.13 2eef h TYR 24 N 8.01 -0.59 0.37 4.23 3.20 -1.75 0.49 116.97 130.92 2eef h TYR 24 Ca -0.07 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2eef h TYR 24 Cb 1.04 0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.61 2eef h TYR 24 CO 0.82 -0.30 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.79 2eef h LEU 25 N -0.24 -0.42 -1.53 2.82 -0.00 -1.92 0.14 115.31 114.17 2eef h LEU 25 Ca 0.13 0.01 0.07 0.00 -0.00 0.00 0.00 57.88 58.10 2eef h LEU 25 Cb 0.44 0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.20 2eef h LEU 25 CO -0.37 -0.25 0.59 -0.78 -0.00 0.00 0.00 178.44 177.64 2eef h ASP 26 N -0.61 0.00 0.00 -0.43 1.82 -1.93 -0.09 116.42 115.19 2eef h ASP 26 Ca -0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2eef h ASP 26 Cb 0.38 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.39 2eef h ASP 26 CO 0.08 0.00 -0.16 0.15 -1.61 0.00 0.00 179.24 177.70 2eef h PHE 27 N 0.00 0.00 -0.88 0.28 3.04 0.23 -3.36 116.94 116.26 2eef h PHE 27 Ca 0.12 0.00 0.23 0.00 3.98 0.00 0.00 57.97 62.30 2eef h PHE 27 Cb 1.31 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.77 2eef h PHE 27 CO 0.00 0.00 0.61 0.07 -2.02 0.00 0.00 178.31 176.97 2eef h ARG 28 N -0.89 0.19 -0.69 1.11 0.11 0.18 0.21 114.38 114.60 2eef h ARG 28 Ca 0.00 -0.01 0.10 0.00 0.10 0.00 0.00 59.98 60.17 2eef h ARG 28 Cb 0.16 -0.04 -0.04 0.00 1.11 0.00 0.00 29.97 31.15 2eef h ARG 28 CO 0.00 0.13 0.46 -0.91 0.10 0.00 0.00 179.97 179.74 2eef h ASN 29 N 0.20 0.48 0.76 0.08 2.35 -1.19 0.67 115.58 118.93 2eef h ASN 29 Ca 0.44 0.01 -0.25 0.00 -0.55 0.00 0.00 56.30 55.96 2eef h ASN 29 Cb 1.42 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.66 2eef h ASN 29 CO -0.10 0.29 -1.32 0.03 -1.65 0.00 0.00 177.43 174.69 2eef h ARG 30 N 0.54 0.01 0.00 0.81 2.47 -0.74 -2.18 114.38 115.29 2eef h ARG 30 Ca 0.32 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 2eef h ARG 30 Cb 0.52 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 2eef h ARG 30 CO -0.10 0.80 -0.06 1.25 0.56 0.00 0.00 179.97 182.41 2eef h LEU 31 N 0.00 0.00 0.00 3.04 5.85 -0.74 0.36 115.31 123.82 2eef h LEU 31 Ca -0.13 -0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.32 2eef h LEU 31 Cb 1.88 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.86 2eef h LEU 31 CO 0.11 0.00 -2.07 1.67 -0.34 0.00 0.00 178.44 177.81 2eef n GLN 32 N -2.91 0.67 -0.07 1.25 7.27 0.22 -2.22 117.38 121.58 2eef n GLN 32 Ca 0.04 0.03 -0.06 0.00 0.07 0.00 0.00 57.00 57.08 2eef n GLN 32 Cb 0.51 -1.60 -0.16 0.00 2.41 0.00 0.00 30.24 31.40 2eef n GLN 32 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2eef n ALA 33 N -2.58 1.73 0.49 1.69 0.00 -0.82 -4.41 120.51 116.61 2eef n ALA 33 Ca -0.22 -1.12 0.07 0.00 0.00 0.00 0.00 53.44 52.17 2eef n ALA 33 Cb 0.99 -0.37 -0.08 0.00 0.00 0.00 0.00 19.45 19.99 2eef n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2eef n ASP 34 N -2.70 0.91 -2.09 0.00 -0.08 0.12 -4.99 116.55 107.73 2eef n ASP 34 Ca -0.26 -0.63 -0.19 0.00 -1.51 0.00 0.00 54.79 52.20 2eef n ASP 34 Cb 1.04 1.15 -0.02 0.00 2.34 0.00 0.00 41.12 45.63 2eef n ASP 34 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2eef n HIS 35 N -1.48 -0.76 -3.64 -0.67 8.25 -0.94 -4.82 115.22 111.16 2eef n HIS 35 Ca 0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.42 2eef n HIS 35 Cb 0.25 -3.68 -0.07 0.00 1.12 0.00 0.00 29.99 27.61 2eef n HIS 35 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2eef s VAL 36 N -2.92 0.00 -0.23 1.59 0.11 -1.24 -3.59 120.40 114.11 2eef s VAL 36 Ca 0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 2eef s VAL 36 Cb 0.00 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.99 2eef s VAL 36 CO 0.00 0.00 1.11 0.00 -3.33 0.00 0.00 175.10 172.88 2eef s LEU 38 N -0.59 4.21 -0.02 0.00 2.96 -1.26 -0.40 118.68 123.59 2eef s LEU 38 Ca 0.02 1.38 -0.02 0.00 -0.22 0.00 0.00 54.13 55.29 2eef s LEU 38 Cb -0.02 -3.42 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 2eef s LEU 38 CO -0.04 -0.44 0.23 -0.08 -1.32 0.00 0.00 176.35 174.70 2eef h GLU 39 N 7.20 -0.08 -3.70 1.98 4.81 -1.32 -3.39 114.58 120.08 2eef h GLU 39 Ca -0.30 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 58.75 2eef h GLU 39 Cb 1.14 0.02 -0.24 0.00 0.63 0.00 0.00 28.75 30.29 2eef h GLU 39 CO 0.86 -0.05 -0.63 0.54 -0.73 0.00 0.00 179.01 178.99 2eef s ASN 40 N -3.52 0.06 -0.21 1.04 4.22 -1.22 -3.04 114.94 112.26 2eef s ASN 40 Ca -0.01 -0.15 -0.04 0.00 -2.14 0.00 0.00 52.86 50.52 2eef s ASN 40 Cb 0.00 0.13 0.07 0.00 1.28 0.00 0.00 41.25 42.73 2eef s ASN 40 CO 0.03 -0.19 0.07 0.00 -2.04 0.00 0.00 177.10 174.98 2eef s VAL 42 N 1.96 3.85 -0.13 0.00 -7.23 0.19 -4.96 120.40 114.08 2eef s VAL 42 Ca 0.02 -0.60 -0.00 0.00 -1.81 0.00 0.00 61.98 59.59 2eef s VAL 42 Cb -0.17 -3.41 0.03 0.00 0.56 0.00 0.00 36.38 33.39 2eef s VAL 42 CO -0.13 -0.27 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.08 2eef s LEU 43 N -4.51 1.44 0.00 1.32 0.20 -1.26 -2.36 118.68 113.50 2eef s LEU 43 Ca 0.49 -0.42 -0.02 0.00 0.69 0.00 0.00 54.13 54.86 2eef s LEU 43 Cb -0.10 -0.98 0.10 0.00 -0.43 0.00 0.00 46.19 44.78 2eef s LEU 43 CO 0.37 -0.10 0.66 0.29 -0.29 0.00 0.00 176.35 177.28 2eef n LYS 44 N 4.87 -0.02 0.17 1.98 4.01 0.24 -4.98 118.16 124.41 2eef n LYS 44 Ca -0.14 -1.62 -0.14 0.00 -0.51 0.00 0.00 58.31 55.90 2eef n LYS 44 Cb 0.50 -0.50 -0.07 0.00 -0.51 0.00 0.00 35.03 34.45 2eef n LYS 44 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 2eef h ASP 45 N -0.51 -0.92 0.00 4.39 3.58 -1.98 -3.33 116.42 117.65 2eef h ASP 45 Ca -0.22 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2eef h ASP 45 Cb 0.76 0.33 0.00 0.00 1.72 0.00 0.00 39.33 42.14 2eef h ASP 45 CO 0.22 -0.44 -0.25 2.29 -2.88 0.00 0.00 179.24 178.17 2eef n LYS 46 N -5.43 0.63 -4.18 0.28 0.00 -1.26 -4.73 118.16 103.47 2eef n LYS 46 Ca -0.08 -1.60 -0.17 0.00 -0.00 0.00 0.00 58.31 56.46 2eef n LYS 46 Cb 0.34 -0.91 -0.06 0.00 -0.00 0.00 0.00 35.03 34.40 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2eef s ALA 47 N -1.15 1.30 0.14 0.58 0.00 -1.25 0.02 121.76 121.40 2eef s ALA 47 Ca 0.12 -1.79 -0.05 0.00 0.00 0.00 0.00 51.96 50.24 2eef s ALA 47 Cb 0.11 1.31 -0.02 0.00 0.00 0.00 0.00 23.12 24.51 2eef s ALA 47 CO 0.01 -0.73 0.16 0.96 0.00 0.00 0.00 175.76 176.16 2eef s ILE 48 N -3.21 0.09 -0.13 0.00 -4.36 0.14 0.80 121.20 114.53 2eef s ILE 48 Ca 0.35 -1.65 -0.22 0.00 -0.26 0.00 0.00 60.65 58.88 2eef s ILE 48 Cb 0.01 -1.91 0.05 0.00 1.25 0.00 0.00 42.46 41.87 2eef s ILE 48 CO 0.24 -0.42 0.55 0.00 0.24 0.00 0.00 174.94 175.56 2eef s ALA 49 N -4.00 -1.40 -0.11 2.27 0.00 -1.00 -2.74 121.76 114.79 2eef s ALA 49 Ca 0.20 1.30 -0.30 0.00 0.00 0.00 0.00 51.96 53.15 2eef s ALA 49 Cb 0.06 -0.49 0.11 0.00 0.00 0.00 0.00 23.12 22.80 2eef s ALA 49 CO 0.00 -0.30 0.92 0.20 0.00 0.00 0.00 175.76 176.58 2eef s GLY 50 N -0.41 -0.36 -0.12 0.00 0.00 -0.79 0.56 107.32 106.19 2eef s GLY 50 Ca -0.06 1.67 0.00 0.00 0.00 0.00 0.00 44.72 46.34 2eef s GLY 50 CO 0.04 0.85 -0.13 -0.51 0.00 0.00 0.00 173.10 173.35 2eef s THR 51 N -1.61 3.07 0.04 0.90 -4.23 -0.63 -0.64 115.64 112.54 2eef s THR 51 Ca -0.02 -0.66 0.01 0.00 -1.18 0.00 0.00 61.69 59.84 2eef s THR 51 Cb -0.01 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 2eef s THR 51 CO 0.00 0.53 0.09 -0.69 -0.54 0.00 0.00 174.62 174.02 2eef s VAL 52 N 0.24 4.71 0.14 2.29 1.01 0.13 -0.82 120.40 128.10 2eef s VAL 52 Ca -0.09 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.39 2eef s VAL 52 Cb -0.15 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2eef s VAL 52 CO 0.05 0.23 -0.02 -0.54 0.00 0.00 0.00 175.10 174.82 2eef s LYS 53 N -2.11 2.38 0.03 2.72 -0.14 0.47 -2.13 119.74 120.96 2eef s LYS 53 Ca 0.27 -1.02 -0.13 0.00 -1.36 0.00 0.00 55.97 53.73 2eef s LYS 53 Cb -0.12 -2.39 0.02 0.00 -1.68 0.00 0.00 37.83 33.65 2eef s LYS 53 CO 0.19 0.49 0.28 0.14 -0.76 0.00 0.00 175.35 175.68 2eef s VAL 54 N -1.52 0.08 0.02 3.17 -7.23 -1.26 -2.14 120.40 111.53 2eef s VAL 54 Ca 0.26 -0.69 -0.25 0.00 -1.81 0.00 0.00 61.98 59.49 2eef s VAL 54 Cb -0.10 -0.86 -0.05 0.00 0.56 0.00 0.00 36.38 35.93 2eef s VAL 54 CO 0.18 -0.38 0.77 -1.10 -0.31 0.00 0.00 175.10 174.25 2eef s GLN 55 N -2.30 4.49 -1.05 4.82 -1.52 -1.24 -4.52 119.66 118.34 2eef s GLN 55 Ca -0.07 1.05 -0.16 0.00 -1.95 0.00 0.00 55.36 54.24 2eef s GLN 55 Cb -0.02 -3.38 -0.08 0.00 -0.22 0.00 0.00 33.01 29.31 2eef s GLN 55 CO -0.02 0.23 2.13 0.27 -0.25 0.00 0.00 175.29 177.65 2eef n ASN 56 N 3.02 3.84 -0.03 5.90 6.94 -1.26 -4.57 115.26 129.10 2eef n ASN 56 Ca -0.02 -2.64 -0.08 0.00 -0.02 0.00 0.00 54.58 51.82 2eef n ASN 56 Cb 0.50 -1.29 -0.07 0.00 -2.36 0.00 0.00 39.78 36.57 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2eef h LEU 57 N 11.21 -0.04 0.00 -4.53 3.38 -1.97 -3.48 115.31 119.87 2eef h LEU 57 Ca 0.51 -0.47 -0.54 0.00 0.09 0.00 0.00 57.88 57.47 2eef h LEU 57 Cb 0.53 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2eef h LEU 57 CO 1.83 0.67 -0.23 0.00 0.09 0.00 0.00 178.44 180.80 2eef n ALA 58 N -2.67 0.86 -0.04 1.53 0.00 -1.26 -5.07 120.51 113.86 2eef n ALA 58 Ca -0.06 -2.09 -0.13 0.00 0.00 0.00 0.00 53.44 51.17 2eef n ALA 58 Cb 0.25 0.83 -0.11 0.00 0.00 0.00 0.00 19.45 20.41 2eef n ALA 58 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2eef h PHE 59 N 0.58 -0.02 -2.51 0.00 3.57 -1.99 -3.46 116.94 113.10 2eef h PHE 59 Ca -0.32 -0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.62 2eef h PHE 59 Cb 1.21 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.87 2eef h PHE 59 CO 0.00 0.73 -0.61 -1.21 -2.23 0.00 0.00 178.31 174.99 2eef s GLU 60 N -2.82 2.60 0.35 1.11 0.41 -1.26 -5.13 118.70 113.96 2eef s GLU 60 Ca -0.16 -1.13 -0.10 0.00 -0.41 0.00 0.00 54.97 53.17 2eef s GLU 60 Cb -0.01 -2.41 0.03 0.00 -1.78 0.00 0.00 34.13 29.95 2eef s GLU 60 CO 0.62 0.42 0.62 -1.59 -0.49 0.00 0.00 175.26 174.85 2eef s LYS 61 N -3.37 2.02 -0.14 1.61 -2.85 -1.26 -4.69 119.74 111.05 2eef s LYS 61 Ca 0.30 -1.54 -0.04 0.00 -1.00 0.00 0.00 55.97 53.69 2eef s LYS 61 Cb -0.08 0.53 0.06 0.00 -2.06 0.00 0.00 37.83 36.28 2eef s LYS 61 CO 0.21 -0.89 0.12 0.99 0.10 0.00 0.00 175.35 175.88 2eef s THR 62 N -2.86 -0.16 -0.20 3.79 2.01 -0.73 -5.00 115.64 112.49 2eef s THR 62 Ca 0.22 0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.21 2eef s THR 62 Cb -0.03 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 2eef s THR 62 CO 0.15 -0.12 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.26 2eef s VAL 63 N 2.20 3.78 -0.07 3.82 1.01 -1.26 -0.70 120.40 129.18 2eef s VAL 63 Ca 0.04 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 2eef s VAL 63 Cb -0.15 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.55 2eef s VAL 63 CO -0.08 0.43 0.18 -0.54 0.00 0.00 0.00 175.10 175.09 2eef s LYS 64 N 1.05 0.20 -0.15 2.72 1.02 -0.75 -2.52 119.74 121.33 2eef s LYS 64 Ca 0.02 0.26 -0.08 0.00 0.02 0.00 0.00 55.97 56.19 2eef s LYS 64 Cb -0.14 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.20 2eef s LYS 64 CO 0.01 -0.04 0.14 0.42 -0.92 0.00 0.00 175.35 174.96 2eef s ILE 65 N 0.18 5.47 -0.37 2.17 -1.09 -0.93 -1.07 121.20 125.57 2eef s ILE 65 Ca -0.01 0.20 -0.03 0.00 -2.23 0.00 0.00 60.65 58.59 2eef s ILE 65 Cb -0.02 -3.42 0.09 0.00 -1.58 0.00 0.00 42.46 37.53 2eef s ILE 65 CO -0.00 0.56 0.14 -0.60 -1.23 0.00 0.00 174.94 173.80 2eef s ARG 66 N -0.55 2.15 -0.03 2.79 3.52 -0.04 -2.26 118.95 124.53 2eef s ARG 66 Ca 0.13 -1.62 0.03 0.00 -0.13 0.00 0.00 55.73 54.13 2eef s ARG 66 Cb -0.12 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 2eef s ARG 66 CO 0.02 -0.91 -0.09 1.41 -0.81 0.00 0.00 175.30 174.91 2eef s MET 67 N 1.18 2.59 0.21 5.12 1.75 -1.26 -0.47 119.30 128.43 2eef s MET 67 Ca 0.04 -0.66 0.07 0.00 -1.25 0.00 0.00 55.69 53.89 2eef s MET 67 Cb -0.22 -2.49 -0.05 0.00 2.84 0.00 0.00 34.83 34.92 2eef s MET 67 CO -0.03 0.63 -0.13 -0.08 -0.65 0.00 0.00 175.02 174.76 2eef s THR 68 N -0.86 1.69 0.00 10.11 -1.32 0.40 -2.96 115.64 122.70 2eef s THR 68 Ca 0.14 -2.19 0.00 0.00 -1.21 0.00 0.00 61.69 58.43 2eef s THR 68 Cb -0.11 -2.10 0.00 0.00 -1.51 0.00 0.00 72.50 68.78 2eef s THR 68 CO 0.03 -0.55 0.34 0.49 -2.21 0.00 0.00 174.62 172.72 2eef n PHE 69 N -0.41 0.00 -3.47 9.09 3.72 -1.25 -2.78 117.46 122.36 2eef n PHE 69 Ca -0.08 -0.05 -0.27 0.00 -0.05 0.00 0.00 57.45 57.01 2eef n PHE 69 Cb 0.61 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.05 2eef n PHE 69 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2eef n ASP 70 N -0.05 1.15 -3.65 4.37 8.00 -1.20 -4.38 116.55 120.79 2eef n ASP 70 Ca 0.00 -2.81 -0.25 0.00 0.71 0.00 0.00 54.79 52.44 2eef n ASP 70 Cb 0.18 -0.64 -0.06 0.00 -0.02 0.00 0.00 41.12 40.58 2eef n ASP 70 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2eef n THR 71 N 1.99 -0.37 -3.20 -3.53 -1.04 -1.18 0.18 114.28 107.14 2eef n THR 71 Ca 0.25 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.05 61.94 2eef n THR 71 Cb 0.45 -0.52 0.08 0.00 -1.82 0.00 0.00 70.33 68.51 2eef n THR 71 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2eef n TRP 72 N -3.19 -1.85 -0.01 -1.42 7.02 -1.26 -4.94 117.44 111.79 2eef n TRP 72 Ca -0.08 0.79 -0.02 0.00 -1.02 0.00 0.00 57.50 57.17 2eef n TRP 72 Cb 0.40 -4.58 -0.01 0.00 -2.42 0.00 0.00 31.31 24.69 2eef n TRP 72 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2eef n LYS 73 N -3.64 0.05 -3.78 -0.99 5.02 0.47 -4.94 118.16 110.36 2eef n LYS 73 Ca -0.24 0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 55.77 2eef n LYS 73 Cb 0.64 -0.93 -0.13 0.00 -0.02 0.00 0.00 35.03 34.59 2eef n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2eef s SER 74 N -4.45 3.83 0.35 4.39 0.15 -1.26 -5.02 113.70 111.70 2eef s SER 74 Ca -0.03 -2.73 0.08 0.00 0.70 0.00 0.00 55.95 53.97 2eef s SER 74 Cb 0.01 -1.20 -0.05 0.00 -1.71 0.00 0.00 66.02 63.08 2eef s SER 74 CO 0.05 -0.26 0.11 -0.72 1.20 0.00 0.00 173.24 173.62 2eef s TYR 75 N 0.18 2.64 -0.02 3.44 -0.85 -1.26 -3.81 117.35 117.67 2eef s TYR 75 Ca 0.17 -0.44 0.02 0.00 -0.52 0.00 0.00 57.07 56.31 2eef s TYR 75 Cb -0.25 -1.66 0.01 0.00 0.38 0.00 0.00 41.96 40.44 2eef s TYR 75 CO 0.00 0.35 -0.06 0.99 -1.52 0.00 0.00 175.55 175.31 2eef s THR 76 N -2.48 0.57 -0.67 -3.49 2.01 -1.16 -5.02 115.64 105.40 2eef s THR 76 Ca 0.38 -0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.87 2eef s THR 76 Cb -0.01 -0.53 0.03 0.00 0.01 0.00 0.00 72.50 72.00 2eef s THR 76 CO 0.22 0.19 1.28 -1.81 -0.69 0.00 0.00 174.62 173.81 2eef s ASP 77 N 0.31 6.23 -0.26 3.53 1.11 -1.26 -3.99 116.67 122.33 2eef s ASP 77 Ca -0.04 -0.18 -0.17 0.00 0.18 0.00 0.00 52.55 52.34 2eef s ASP 77 Cb -0.08 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 2eef s ASP 77 CO 0.00 -1.72 0.49 -0.36 1.18 0.00 0.00 175.17 174.76 2eef s PHE 78 N 5.59 3.26 0.16 4.23 0.08 -0.96 -4.98 117.98 125.36 2eef s PHE 78 Ca 0.40 0.59 -0.31 0.00 0.12 0.00 0.00 56.93 57.74 2eef s PHE 78 Cb -0.08 -2.71 -0.08 0.00 -0.57 0.00 0.00 43.02 39.58 2eef s PHE 78 CO 0.20 -0.28 1.33 -1.25 -0.10 0.00 0.00 175.22 175.11 2eef s PRO 79 N 2.28 4.37 0.57 0.24 0.04 -1.26 -2.18 135.00 139.06 2eef s PRO 79 Ca 0.20 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 2eef s PRO 79 Cb -0.16 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.18 2eef s PRO 79 CO 0.09 -0.32 0.85 0.00 0.04 0.00 0.00 177.00 177.67 2eef s GLN 81 N -4.91 1.96 -0.21 0.00 -2.07 -0.89 -4.95 119.66 108.60 2eef s GLN 81 Ca 0.54 -2.17 -0.11 0.00 -1.82 0.00 0.00 55.36 51.81 2eef s GLN 81 Cb -0.10 -1.30 -0.05 0.00 -1.09 0.00 0.00 33.01 30.47 2eef s GLN 81 CO 0.42 -0.23 0.17 -0.47 -1.32 0.00 0.00 175.29 173.86 2eef s TYR 82 N -2.95 3.38 -0.49 9.60 6.14 -1.26 -1.66 117.35 130.10 2eef s TYR 82 Ca 0.25 0.33 -0.19 0.00 0.64 0.00 0.00 57.07 58.10 2eef s TYR 82 Cb 0.06 -2.23 0.05 0.00 0.42 0.00 0.00 41.96 40.26 2eef s TYR 82 CO 0.12 0.19 0.63 0.08 0.64 0.00 0.00 175.55 177.22 2eef s VAL 83 N 0.65 4.86 -0.73 3.14 1.01 -0.76 -4.92 120.40 123.65 2eef s VAL 83 Ca 0.09 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.73 2eef s VAL 83 Cb -0.12 -4.28 0.18 0.00 0.00 0.00 0.00 36.38 32.15 2eef s VAL 83 CO 0.01 -0.77 0.54 -0.75 0.00 0.00 0.00 175.10 174.13 2eef s LYS 84 N 2.68 2.62 0.06 2.72 2.20 -1.26 -4.71 119.74 124.05 2eef s LYS 84 Ca 0.17 -3.26 0.01 0.00 -0.36 0.00 0.00 55.97 52.52 2eef s LYS 84 Cb -0.18 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 2eef s LYS 84 CO 0.13 -1.26 -0.05 0.34 -0.36 0.00 0.00 175.35 174.15 2eef s ASP 85 N -1.01 0.74 0.29 1.43 -1.08 -1.26 -5.04 116.67 110.74 2eef s ASP 85 Ca 0.25 -0.85 0.03 0.00 -0.52 0.00 0.00 52.55 51.46 2eef s ASP 85 Cb -0.07 0.12 0.74 0.00 -1.46 0.00 0.00 42.92 42.25 2eef s ASP 85 CO -0.14 -0.44 1.66 0.74 0.52 0.00 0.00 175.17 177.51 2eef h THR 86 N 3.54 0.35 -0.48 1.71 2.02 -1.98 0.20 112.91 118.26 2eef h THR 86 Ca -0.34 -0.09 -0.29 0.00 0.77 0.00 0.00 66.41 66.45 2eef h THR 86 Cb 1.17 0.07 -0.11 0.00 -1.74 0.00 0.00 68.15 67.54 2eef h THR 86 CO 0.58 0.05 0.22 -1.22 0.37 0.00 0.00 175.52 175.51 2eef n TYR 87 N -5.18 1.06 -3.79 3.16 4.02 -1.26 -4.83 117.16 110.35 2eef n TYR 87 Ca 0.22 -1.73 -0.13 0.00 -0.01 0.00 0.00 57.90 56.26 2eef n TYR 87 Cb 0.70 -1.09 -0.10 0.00 -0.02 0.00 0.00 39.34 38.84 2eef n TYR 87 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2eef s ALA 88 N -1.06 -0.68 0.37 -0.72 0.00 0.70 -5.13 121.76 115.24 2eef s ALA 88 Ca 0.38 0.38 -0.25 0.00 0.00 0.00 0.00 51.96 52.47 2eef s ALA 88 Cb 0.25 -0.07 -0.12 0.00 0.00 0.00 0.00 23.12 23.17 2eef s ALA 88 CO -0.06 -0.22 0.93 0.41 0.00 0.00 0.00 175.76 176.83 2eef n GLY 89 N 1.77 -0.43 0.09 0.00 0.00 -1.26 -4.74 105.19 100.61 2eef n GLY 89 Ca -0.19 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2eef n GLY 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eef n SER 90 N 0.88 1.84 0.02 1.61 3.41 -1.26 -4.71 113.62 115.41 2eef n SER 90 Ca 0.10 0.51 -0.02 0.00 -0.26 0.00 0.00 58.87 59.20 2eef n SER 90 Cb 0.37 -0.91 -0.01 0.00 -0.26 0.00 0.00 64.21 63.40 2eef n SER 90 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2eef h ASP 91 N -1.00 -0.09 -2.36 4.04 3.32 -2.02 -3.45 116.42 114.86 2eef h ASP 91 Ca -0.21 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.29 2eef h ASP 91 Cb 0.97 0.02 0.04 0.00 0.22 0.00 0.00 39.33 40.58 2eef h ASP 91 CO -0.13 0.20 1.07 0.54 -1.72 0.00 0.00 179.24 179.20 2eef n ARG 92 N -3.77 2.58 -2.18 3.56 1.74 -1.26 -4.89 116.66 112.44 2eef n ARG 92 Ca -0.01 0.94 -0.42 0.00 -0.77 0.00 0.00 57.85 57.58 2eef n ARG 92 Cb 0.04 -2.81 -0.03 0.00 -1.02 0.00 0.00 32.46 28.65 2eef n ARG 92 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2eef s ASP 93 N 2.85 6.01 -0.44 0.55 -1.08 -1.26 -4.64 116.67 118.65 2eef s ASP 93 Ca 0.84 0.87 -0.15 0.00 -0.52 0.00 0.00 52.55 53.60 2eef s ASP 93 Cb -0.55 -2.53 0.05 0.00 -1.46 0.00 0.00 42.92 38.43 2eef s ASP 93 CO 0.41 -1.69 0.35 -0.89 0.52 0.00 0.00 175.17 173.86 2eef s THR 94 N 6.51 5.15 0.11 1.71 2.01 -1.26 -4.01 115.64 125.86 2eef s THR 94 Ca 0.68 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 61.60 2eef s THR 94 Cb -0.16 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 2eef s THR 94 CO 0.31 -0.47 0.49 -0.36 -0.69 0.00 0.00 174.62 173.90 2eef s PHE 95 N 1.64 3.63 0.18 4.92 0.40 -0.91 -1.83 117.98 126.01 2eef s PHE 95 Ca 0.04 0.99 0.10 0.00 -0.60 0.00 0.00 56.93 57.47 2eef s PHE 95 Cb -0.22 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 40.95 2eef s PHE 95 CO 0.07 0.49 -0.19 -1.54 0.70 0.00 0.00 175.22 174.76 2eef s SER 96 N -1.61 3.75 -0.01 1.36 1.04 -0.67 0.22 113.70 117.78 2eef s SER 96 Ca 0.34 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 56.05 2eef s SER 96 Cb -0.15 -0.44 0.01 0.00 0.10 0.00 0.00 66.02 65.53 2eef s SER 96 CO 0.18 0.12 -0.02 0.72 0.98 0.00 0.00 173.24 175.22 2eef s PHE 97 N -1.61 0.29 -0.33 5.02 -0.12 0.18 -2.08 117.98 119.33 2eef s PHE 97 Ca 0.22 -0.04 0.00 0.00 -0.05 0.00 0.00 56.93 57.06 2eef s PHE 97 Cb -0.09 -0.26 0.11 0.00 -0.63 0.00 0.00 43.02 42.16 2eef s PHE 97 CO 0.12 -0.05 0.12 0.16 -0.05 0.00 0.00 175.22 175.52 2eef s ASP 98 N 0.28 4.01 -0.05 1.98 -4.77 -1.26 -1.89 116.67 114.97 2eef s ASP 98 Ca -0.03 -1.84 -0.05 0.00 -3.30 0.00 0.00 52.55 47.34 2eef s ASP 98 Cb -0.05 -0.94 -0.04 0.00 -1.09 0.00 0.00 42.92 40.80 2eef s ASP 98 CO -0.01 -0.39 0.18 -0.63 0.70 0.00 0.00 175.17 175.02 2eef s ILE 99 N 1.36 5.45 -0.24 2.11 1.01 -1.11 -4.95 121.20 124.84 2eef s ILE 99 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.66 2eef s ILE 99 Cb -0.19 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 2eef s ILE 99 CO -0.20 0.43 0.15 -0.94 0.00 0.00 0.00 174.94 174.39 2eef s SER 100 N -1.60 6.07 0.60 3.58 1.04 -1.26 -0.68 113.70 121.44 2eef s SER 100 Ca 0.23 0.10 -0.17 0.00 0.48 0.00 0.00 55.95 56.59 2eef s SER 100 Cb -0.12 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 63.87 2eef s SER 100 CO 0.13 0.07 1.10 -0.76 0.98 0.00 0.00 173.24 174.76 2eef s LEU 101 N 1.04 3.56 0.80 2.42 1.43 0.10 -4.96 118.68 123.07 2eef s LEU 101 Ca 0.07 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.08 2eef s LEU 101 Cb -0.13 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.60 2eef s LEU 101 CO 0.04 -1.34 1.09 -2.16 0.23 0.00 0.00 176.35 174.21 2eef s PRO 102 N -3.77 2.02 0.39 1.29 0.04 -1.26 -4.84 135.00 128.87 2eef s PRO 102 Ca 0.68 1.09 0.21 0.00 0.04 0.00 0.00 61.00 63.03 2eef s PRO 102 Cb -0.20 -1.88 1.25 0.00 0.04 0.00 0.00 34.50 33.71 2eef s PRO 102 CO 0.34 -1.79 1.65 1.05 0.04 0.00 0.00 177.00 178.29 2eef h GLU 103 N -1.23 0.19 -3.98 4.56 9.09 -1.94 -3.42 114.58 117.86 2eef h GLU 103 Ca -0.45 -0.01 -0.18 0.00 0.05 0.00 0.00 59.36 58.77 2eef h GLU 103 Cb 1.24 -0.04 -0.09 0.00 -1.65 0.00 0.00 28.75 28.21 2eef h GLU 103 CO 0.52 0.13 -0.21 0.15 0.05 0.00 0.00 179.01 179.65 2eef s LYS 104 N -5.49 1.70 -0.23 1.06 3.01 -1.26 -4.64 119.74 113.88 2eef s LYS 104 Ca -0.09 -1.55 -0.04 0.00 -1.01 0.00 0.00 55.97 53.29 2eef s LYS 104 Cb 0.30 0.44 0.12 0.00 -1.01 0.00 0.00 37.83 37.68 2eef s LYS 104 CO 0.80 -0.69 0.39 0.42 0.51 0.00 0.00 175.35 176.78 2eef s ILE 105 N -3.53 -0.62 0.46 2.17 1.01 -1.26 -5.14 121.20 114.28 2eef s ILE 105 Ca 0.28 0.01 0.07 0.00 0.00 0.00 0.00 60.65 61.01 2eef s ILE 105 Cb 0.00 -0.77 -0.00 0.00 0.01 0.00 0.00 42.46 41.70 2eef s ILE 105 CO 0.15 -0.06 0.39 -1.10 0.00 0.00 0.00 174.94 174.32 2eef s GLN 106 N 2.57 2.42 0.36 2.79 -1.52 -1.26 -5.03 119.66 119.99 2eef s GLN 106 Ca 0.09 -1.69 0.19 0.00 -1.95 0.00 0.00 55.36 52.00 2eef s GLN 106 Cb -0.14 -2.29 0.22 0.00 -0.22 0.00 0.00 33.01 30.58 2eef s GLN 106 CO -0.15 -0.33 1.53 1.03 -0.25 0.00 0.00 175.29 177.13 2eef h SER 107 N 0.95 0.00 -0.86 5.90 0.87 -2.01 -3.32 113.55 115.07 2eef h SER 107 Ca -0.40 0.00 0.34 0.00 -1.23 0.00 0.00 61.79 60.50 2eef h SER 107 Cb 1.27 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.08 2eef h SER 107 CO 0.58 0.25 0.39 0.00 -0.53 0.00 0.00 176.83 177.51 2eef n TYR 108 N -3.17 0.93 -4.47 2.24 4.11 -1.26 -4.19 117.16 111.36 2eef n TYR 108 Ca 0.03 1.02 -0.20 0.00 -0.00 0.00 0.00 57.90 58.74 2eef n TYR 108 Cb 0.63 -1.38 -0.15 0.00 -0.00 0.00 0.00 39.34 38.44 2eef n TYR 108 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 2eef s GLU 109 N -5.40 0.95 0.87 -3.48 8.01 -1.25 -5.02 118.70 113.39 2eef s GLU 109 Ca -0.08 -0.37 -0.11 0.00 0.01 0.00 0.00 54.97 54.41 2eef s GLU 109 Cb 0.29 -0.91 0.11 0.00 -4.31 0.00 0.00 34.13 29.31 2eef s GLU 109 CO 0.67 0.20 1.09 0.50 0.01 0.00 0.00 175.26 177.73 2eef s ARG 110 N -0.10 1.45 -0.13 1.61 3.52 -1.26 -4.80 118.95 119.24 2eef s ARG 110 Ca 0.02 0.79 -0.04 0.00 -0.13 0.00 0.00 55.73 56.37 2eef s ARG 110 Cb -0.06 -1.83 0.06 0.00 -1.56 0.00 0.00 34.95 31.56 2eef s ARG 110 CO -0.00 -2.10 0.15 1.41 -0.81 0.00 0.00 175.30 173.95 2eef s MET 111 N -4.98 0.07 0.19 5.12 -2.45 -1.26 -3.07 119.30 112.92 2eef s MET 111 Ca 0.63 0.29 -0.01 0.00 -1.25 0.00 0.00 55.69 55.35 2eef s MET 111 Cb -0.17 -0.93 -0.04 0.00 1.25 0.00 0.00 34.83 34.94 2eef s MET 111 CO 0.56 -0.49 0.12 -1.21 1.05 0.00 0.00 175.02 175.05 2eef s GLU 112 N 2.25 1.17 -0.13 4.11 8.01 -1.12 -3.35 118.70 129.64 2eef s GLU 112 Ca 0.04 -1.61 -0.13 0.00 0.01 0.00 0.00 54.97 53.28 2eef s GLU 112 Cb -0.14 0.24 0.03 0.00 -4.31 0.00 0.00 34.13 29.95 2eef s GLU 112 CO -0.08 -0.37 0.36 -0.59 0.01 0.00 0.00 175.26 174.60 2eef s PHE 113 N -4.12 -0.39 0.20 1.61 -0.12 -1.26 -0.45 117.98 113.44 2eef s PHE 113 Ca 0.37 0.94 0.08 0.00 -0.05 0.00 0.00 56.93 58.27 2eef s PHE 113 Cb 0.07 0.13 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 2eef s PHE 113 CO 0.11 -0.20 -0.15 0.00 -0.05 0.00 0.00 175.22 174.93 2eef s ALA 114 N 0.13 2.00 -0.10 1.99 0.00 0.38 -4.15 121.76 122.02 2eef s ALA 114 Ca -0.01 -1.62 -0.11 0.00 0.00 0.00 0.00 51.96 50.22 2eef s ALA 114 Cb -0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 2eef s ALA 114 CO 0.01 0.09 0.25 0.08 0.00 0.00 0.00 175.76 176.19 2eef s VAL 115 N -2.80 5.31 -0.34 0.00 1.01 -0.93 -0.86 120.40 121.79 2eef s VAL 115 Ca 0.21 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.69 2eef s VAL 115 Cb -0.02 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.92 2eef s VAL 115 CO 0.07 0.55 0.08 -0.47 0.00 0.00 0.00 175.10 175.33 2eef s TYR 116 N -0.66 3.02 -0.17 5.22 5.04 -0.23 -1.75 117.35 127.82 2eef s TYR 116 Ca 0.18 -2.60 -0.07 0.00 -2.44 0.00 0.00 57.07 52.14 2eef s TYR 116 Cb -0.14 -2.50 -0.04 0.00 0.35 0.00 0.00 41.96 39.63 2eef s TYR 116 CO 0.07 -0.91 0.08 -0.47 -1.34 0.00 0.00 175.55 172.97 2eef s TYR 117 N 1.03 3.31 -0.05 4.97 5.04 -0.20 -1.80 117.35 129.65 2eef s TYR 117 Ca 0.11 0.18 0.06 0.00 -2.44 0.00 0.00 57.07 54.98 2eef s TYR 117 Cb -0.19 -2.05 -0.02 0.00 0.35 0.00 0.00 41.96 40.05 2eef s TYR 117 CO -0.13 0.27 -0.22 -2.00 -1.34 0.00 0.00 175.55 172.13 2eef s GLU 118 N 0.09 2.44 -0.29 4.97 2.12 0.12 0.13 118.70 128.27 2eef s GLU 118 Ca 0.06 -0.86 -0.23 0.00 0.36 0.00 0.00 54.97 54.30 2eef s GLU 118 Cb -0.12 -2.19 0.17 0.00 0.26 0.00 0.00 34.13 32.25 2eef s GLU 118 CO 0.00 0.48 1.27 0.00 -0.54 0.00 0.00 175.26 176.48 2eef n ASN 120 N 2.13 -2.61 -2.62 0.00 3.02 -1.26 -1.82 115.26 112.11 2eef n ASN 120 Ca -0.12 -0.65 -0.16 0.00 -0.03 0.00 0.00 54.58 53.62 2eef n ASN 120 Cb 0.57 -4.91 -0.00 0.00 -0.61 0.00 0.00 39.78 34.83 2eef n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eef n GLY 121 N -1.35 -0.50 3.41 7.41 0.00 -1.26 -4.95 105.19 107.95 2eef n GLY 121 Ca -0.24 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 2eef n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eef s GLN 122 N -5.23 1.49 -0.34 1.61 -0.21 -0.75 -5.13 119.66 111.10 2eef s GLN 122 Ca 0.08 -1.73 -0.00 0.00 0.02 0.00 0.00 55.36 53.73 2eef s GLN 122 Cb -0.04 -1.17 0.11 0.00 1.00 0.00 0.00 33.01 32.90 2eef s GLN 122 CO 0.10 0.09 0.13 0.99 -2.12 0.00 0.00 175.29 174.49 2eef s THR 123 N -2.98 0.91 -0.16 -0.19 2.01 -1.26 -2.40 115.64 111.57 2eef s THR 123 Ca 0.28 -1.62 -0.23 0.00 0.31 0.00 0.00 61.69 60.43 2eef s THR 123 Cb 0.02 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 2eef s THR 123 CO 0.11 -0.74 0.74 -0.31 -0.69 0.00 0.00 174.62 173.73 2eef s TYR 124 N 1.36 3.44 -0.22 4.92 2.02 0.12 -4.95 117.35 124.04 2eef s TYR 124 Ca 0.12 1.14 -0.02 0.00 -0.37 0.00 0.00 57.07 57.94 2eef s TYR 124 Cb -0.19 -2.90 0.01 0.00 -0.40 0.00 0.00 41.96 38.47 2eef s TYR 124 CO -0.19 -0.16 -0.08 -1.58 -1.57 0.00 0.00 175.55 171.98 2eef s TRP 125 N 1.81 2.95 -0.45 2.71 0.52 -1.26 -1.04 118.94 124.18 2eef s TRP 125 Ca 0.35 -1.22 -0.04 0.00 0.02 0.00 0.00 56.10 55.21 2eef s TRP 125 Cb -0.17 -2.06 0.12 0.00 -1.15 0.00 0.00 33.47 30.21 2eef s TRP 125 CO 0.13 -0.64 0.26 0.34 0.02 0.00 0.00 176.95 177.06 2eef s ASP 126 N 1.41 5.35 -0.76 2.95 -1.08 -0.72 -4.99 116.67 118.83 2eef s ASP 126 Ca 0.04 -2.11 -0.15 0.00 -0.52 0.00 0.00 52.55 49.82 2eef s ASP 126 Cb -0.15 -1.87 0.19 0.00 -1.46 0.00 0.00 42.92 39.64 2eef s ASP 126 CO -0.05 -0.55 0.71 -0.94 0.52 0.00 0.00 175.17 174.85 2eef s SER 127 N 1.86 6.61 -1.71 -0.34 1.04 -1.26 -2.18 113.70 117.72 2eef s SER 127 Ca 0.09 -2.44 -0.14 0.00 0.48 0.00 0.00 55.95 53.94 2eef s SER 127 Cb -0.23 -2.22 0.14 0.00 0.10 0.00 0.00 66.02 63.81 2eef s SER 127 CO -0.04 -0.66 0.47 -3.20 0.98 0.00 0.00 173.24 170.79 2eef n ASN 128 N 4.38 -1.28 -3.69 7.02 5.15 -1.26 -0.27 115.26 125.30 2eef n ASN 128 Ca 0.07 -1.18 -0.31 0.00 -0.60 0.00 0.00 54.58 52.56 2eef n ASN 128 Cb 0.45 -2.00 -0.06 0.00 -0.53 0.00 0.00 39.78 37.64 2eef n ASN 128 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2eef n ARG 129 N -4.30 -0.80 0.00 1.20 1.85 -1.26 -3.85 116.66 109.50 2eef n ARG 129 Ca -0.05 0.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 2eef n ARG 129 Cb 0.55 -3.37 0.00 0.00 -1.05 0.00 0.00 32.46 28.58 2eef n ARG 129 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2eef n GLY 130 N -0.93 -2.00 0.43 2.89 0.00 0.63 -5.05 105.19 101.16 2eef n GLY 130 Ca 0.08 0.71 -0.00 0.00 0.00 0.00 0.00 46.02 46.80 2eef n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eef n LYS 131 N 0.00 0.01 -3.60 1.61 4.76 -1.13 -4.89 118.16 114.93 2eef n LYS 131 Ca 0.00 0.01 -0.04 0.00 -2.87 0.00 0.00 58.31 55.41 2eef n LYS 131 Cb 0.00 -0.32 -0.02 0.00 -1.84 0.00 0.00 35.03 32.85 2eef n LYS 131 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2eef s ASN 132 N -4.50 -0.13 -1.08 4.39 2.20 -1.24 -4.55 114.94 110.03 2eef s ASN 132 Ca -0.01 -0.02 -0.19 0.00 -0.94 0.00 0.00 52.86 51.70 2eef s ASN 132 Cb 0.00 0.15 0.10 0.00 -2.00 0.00 0.00 41.25 39.50 2eef s ASN 132 CO 0.01 -0.25 1.41 -0.31 -2.94 0.00 0.00 177.10 175.02 2eef s TYR 133 N -2.44 2.89 -0.19 1.54 2.02 -1.26 -4.72 117.35 115.20 2eef s TYR 133 Ca 0.10 -1.34 -0.29 0.00 -0.37 0.00 0.00 57.07 55.16 2eef s TYR 133 Cb -0.00 -4.53 -0.04 0.00 -0.40 0.00 0.00 41.96 36.99 2eef s TYR 133 CO -0.05 -1.70 1.73 0.50 -1.57 0.00 0.00 175.55 174.46 2eef s ARG 134 N 3.67 3.76 -0.37 -0.62 3.52 -1.26 -4.23 118.95 123.43 2eef s ARG 134 Ca 0.43 1.82 -0.13 0.00 -0.13 0.00 0.00 55.73 57.73 2eef s ARG 134 Cb -0.01 -4.09 0.00 0.00 -1.56 0.00 0.00 34.95 29.29 2eef s ARG 134 CO -0.05 -1.34 0.24 0.42 -0.81 0.00 0.00 175.30 173.76 2eef s ILE 135 N 5.46 5.08 0.40 4.11 1.01 -1.21 -2.36 121.20 133.68 2eef s ILE 135 Ca 0.77 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 61.00 2eef s ILE 135 Cb -0.28 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2eef s ILE 135 CO 0.31 -0.14 0.26 0.27 0.00 0.00 0.00 174.94 175.64 2eef s ILE 136 N 1.67 2.62 0.66 2.92 -4.36 -1.14 -4.80 121.20 118.78 2eef s ILE 136 Ca 0.05 -1.54 -0.11 0.00 -0.26 0.00 0.00 60.65 58.79 2eef s ILE 136 Cb -0.18 -3.01 -0.01 0.00 1.25 0.00 0.00 42.46 40.51 2eef s ILE 136 CO 0.09 -0.04 1.05 -0.60 0.24 0.00 0.00 174.94 175.68 2eef s ARG 137 N -3.99 3.21 0.30 0.37 3.52 -1.26 -0.51 118.95 120.59 2eef s ARG 137 Ca 0.43 0.79 0.14 0.00 -0.13 0.00 0.00 55.73 56.96 2eef s ARG 137 Cb -0.00 -2.03 0.42 0.00 -1.56 0.00 0.00 34.95 31.77 2eef s ARG 137 CO 0.25 -0.86 1.62 0.00 -0.81 0.00 0.00 175.30 175.50 2eef h ALA 138 N -0.54 0.91 0.00 6.12 0.00 -1.53 -2.96 119.26 121.27 2eef h ALA 138 Ca -0.44 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 53.92 2eef h ALA 138 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2eef h ALA 138 CO 0.60 0.68 -0.24 1.05 0.00 0.00 0.00 179.25 181.34 2eef h GLU 139 N 0.00 0.00 0.09 0.00 4.11 -1.94 -3.32 114.58 113.52 2eef h GLU 139 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2eef h GLU 139 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2eef h GLU 139 CO 0.07 0.24 -0.04 -0.07 0.07 0.00 0.00 179.01 179.28 2eef h LEU 140 N 0.00 -0.10 -9.29 3.06 3.38 -1.91 -3.44 115.31 107.00 2eef h LEU 140 Ca -0.00 -0.48 -0.66 0.00 0.09 0.00 0.00 57.88 56.83 2eef h LEU 140 Cb 1.11 0.03 0.04 0.00 0.09 0.00 0.00 40.66 41.92 2eef h LEU 140 CO 0.03 0.54 0.78 1.17 0.09 0.00 0.00 178.44 181.05 2eef n LYS 141 N -4.83 1.57 -3.83 1.13 3.00 -1.15 -4.96 118.16 109.08 2eef n LYS 141 Ca -0.07 0.57 -0.12 0.00 -0.00 0.00 0.00 58.31 58.69 2eef n LYS 141 Cb 0.28 -2.29 -0.09 0.00 0.00 0.00 0.00 35.03 32.93 2eef n LYS 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2eef s SER 142 N 2.11 -0.04 0.38 3.14 0.15 -1.26 -5.00 113.70 113.18 2eef s SER 142 Ca 0.89 -0.12 -0.26 0.00 0.70 0.00 0.00 55.95 57.16 2eef s SER 142 Cb -0.87 0.24 -0.09 0.00 -1.71 0.00 0.00 66.02 63.59 2eef s SER 142 CO 0.51 -0.40 1.23 0.42 1.20 0.00 0.00 173.24 176.19 2eef s THR 143 N -1.41 2.94 -0.07 6.45 -4.23 -1.26 -4.96 115.64 113.11 2eef s THR 143 Ca -0.14 0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 61.18 2eef s THR 143 Cb -0.07 -3.49 -0.03 0.00 1.34 0.00 0.00 72.50 70.25 2eef s THR 143 CO 0.02 0.12 -0.09 1.67 -0.54 0.00 0.00 174.62 175.80 2eef n GLN 144 N 0.27 0.15 0.00 3.99 0.00 -1.26 -5.16 117.38 115.38 2eef n GLN 144 Ca 0.03 0.06 0.00 0.00 -0.00 0.00 0.00 57.00 57.10 2eef n GLN 144 Cb 0.45 -0.77 0.00 0.00 0.00 0.00 0.00 30.24 29.92 2eef n GLN 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2eef n GLY 145 N 2.59 1.81 3.59 1.69 0.00 -1.26 -5.05 105.19 108.55 2eef n GLY 145 Ca -0.14 -2.09 -0.20 0.00 0.00 0.00 0.00 46.02 43.59 2eef n GLY 145 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2eef n MET 146 N -1.39 -5.89 -1.64 1.61 2.81 -1.26 -4.88 117.12 106.48 2eef n MET 146 Ca 0.00 0.73 -0.43 0.00 -1.81 0.00 0.00 57.70 56.19 2eef n MET 146 Cb 0.00 -5.54 -0.01 0.00 -0.71 0.00 0.00 33.22 26.96 2eef n MET 146 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2eef n THR 147 N -4.28 2.06 -3.63 2.03 5.66 -1.26 -5.00 114.28 109.85 2eef n THR 147 Ca -0.26 -0.50 -0.04 0.00 -3.05 0.00 0.00 64.05 60.20 2eef n THR 147 Cb 0.66 -1.25 -0.06 0.00 -1.55 0.00 0.00 70.33 68.14 2eef n THR 147 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2eef s LYS 148 N -1.75 0.62 0.42 1.09 2.20 -1.26 -5.16 119.74 115.91 2eef s LYS 148 Ca 0.58 1.27 -0.25 0.00 -0.36 0.00 0.00 55.97 57.22 2eef s LYS 148 Cb -0.63 0.45 -0.08 0.00 -1.51 0.00 0.00 37.83 36.06 2eef s LYS 148 CO 0.60 -0.16 1.18 -1.25 -0.36 0.00 0.00 175.35 175.36 2eef s PRO 149 N 2.17 3.95 -0.46 4.03 0.04 -1.26 -5.02 135.00 138.44 2eef s PRO 149 Ca -0.08 1.85 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 2eef s PRO 149 Cb -0.08 -2.60 0.12 0.00 0.04 0.00 0.00 34.50 31.99 2eef s PRO 149 CO -0.19 -0.41 0.25 -1.58 0.04 0.00 0.00 177.00 175.10 2eef s HIS 150 N -1.44 3.53 0.78 0.56 2.46 -1.26 -5.09 115.29 114.83 2eef s HIS 150 Ca 0.59 -2.65 -0.14 0.00 0.47 0.00 0.00 55.06 53.33 2eef s HIS 150 Cb -0.31 -3.14 0.07 0.00 -0.13 0.00 0.00 32.58 29.07 2eef s HIS 150 CO 0.38 -0.91 1.22 -1.54 -2.47 0.00 0.00 174.74 171.42 2eef s SER 151 N 1.20 3.78 0.44 9.88 1.04 -1.26 -4.95 113.70 123.83 2eef s SER 151 Ca 0.12 2.41 -0.24 0.00 0.48 0.00 0.00 55.95 58.72 2eef s SER 151 Cb -0.22 -2.59 -0.08 0.00 0.10 0.00 0.00 66.02 63.23 2eef s SER 151 CO -0.04 -2.55 1.19 -0.83 0.98 0.00 0.00 173.24 171.99 2eef s GLY 152 N -2.03 2.82 0.10 7.32 0.00 -1.26 -5.04 107.32 109.23 2eef s GLY 152 Ca 0.75 0.99 -0.02 0.00 0.00 0.00 0.00 44.72 46.44 2eef s GLY 152 CO 0.49 1.47 0.09 -1.55 0.00 0.00 0.00 173.10 173.59 2eef n PRO 153 N -0.31 -1.19 -4.02 2.90 -0.04 -1.26 -5.04 135.00 126.05 2eef n PRO 153 Ca 0.06 -0.14 -0.31 0.00 -0.04 0.00 0.00 63.50 63.07 2eef n PRO 153 Cb 0.47 -0.13 -0.15 0.00 -0.04 0.00 0.00 33.50 33.65 2eef n PRO 153 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2eef s ASP 154 N -1.74 4.55 -1.20 3.54 -4.77 -1.26 -4.81 116.67 110.97 2eef s ASP 154 Ca 0.06 -1.78 -0.04 0.00 -3.30 0.00 0.00 52.55 47.48 2eef s ASP 154 Cb -0.01 -1.53 0.04 0.00 -1.09 0.00 0.00 42.92 40.34 2eef s ASP 154 CO 0.04 -0.30 0.11 0.00 0.70 0.00 0.00 175.17 175.72 2eef n LEU 155 N 4.38 -0.68 0.00 2.11 -0.00 -1.26 -5.29 117.00 116.26 2eef n LEU 155 Ca -0.04 -0.93 0.00 0.00 -0.00 0.00 0.00 56.01 55.04 2eef n LEU 155 Cb 0.42 -1.17 0.00 0.00 -0.00 0.00 0.00 43.42 42.67 2eef n LEU 155 CO 0.21 0.28 0.00 0.61 -0.00 0.00 0.00 177.39 178.48